| 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 | 43.5 | Very low | 59.4 | Low | 240 Ų | 240 | 129.8 Ų | 129.8 | 100% | 1.182 | 71% | 0.706 | S | S | * | * | 0 | 48 | 0 | -68.1 | -159.2 | 140.7 | 0 | 0 | 112.8 | |||||
| 2 | L | 50.3 | Low | 59.9 | Low | 179 Ų | 179 | 128.3 Ų | 128.3 | 94% | 0.937 | 70% | 0.695 | S | S | * | * | trans | -127.8 | 21.2 | 179.3 | -69.3 | 173.6 | 0 | 0 | 0 | 113.6 | ||||
| 3 | A | 54.4 | Low | 59.5 | Low | 87 Ų | 87 | 125.9 Ų | 125.9 | 72% | 0.719 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -102.3 | -2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 4 | Q | 54.9 | Low | 59.5 | Low | 169 Ų | 169 | 124.1 Ų | 124.1 | 79% | 0.79 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -91.6 | -17.5 | -179.2 | -72.5 | 179.3 | -26 | 0 | 0 | 113.9 | ||
| 5 | G | 55.7 | Low | 59.1 | Low | 52 Ų | 52 | 126.5 Ų | 126.5 | 54% | 0.536 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -75.4 | -30.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | A9 | G5-A9 PolarHBondContact O-N 3.5Å |
| 6 | F | 65.2 | Low | 58.8 | Low | 169 Ų | 169 | 124.3 Ų | 124.3 | 74% | 0.741 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -75.7 | -28.5 | -172.3 | -131.6 | -94.8 | 0 | 0 | 0 | 113.3 | L10 | F6-L10 PolarHBondContact O-N 3.3Å |
| 7 | H | 66.6 | Low | 58.5 | Low | 139 Ų | 139 | 123.8 Ų | 123.8 | 64% | 0.644 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -75.3 | -33.4 | 176.4 | -95.8 | -76.9 | 0 | 0 | 0 | 112.9 | L10 L11 | H7-L10 PolarHBondContact O-N 3Å; H7-L11 PolarHBondContact O-N 2.91Å |
| 8 | I | 71.6 | Confident | 58.2 | Low | 106 Ų | 106 | 127 Ų | 127 | 54% | 0.544 | 71% | 0.707 | S | S | . | * | H | α-helix | trans | -69.1 | -40.8 | 176.2 | -62.4 | 172.4 | 0 | 0 | 0 | 109.9 | L10 L11 I12 | I8-L10 VanDerWaalsContact C-N 3.29Å; I8-L10 PolarHBondContact O-N 3.12Å; I8-L11 PolarHBondContact O-N 3.15Å; I8-I12 HydrophobicContact CG2-CD1 3.73Å; I8-I12 HydrophobicContact CG2-CG1 4.37Å; I8-I12 WeakPolarHBondContact O-CD1 2.97Å; I8-I12 VanDerWaalsContact O-CG1 3.25Å; I8-I12 WeakPolarHBondContact O-CG1 3.42Å; I8-I12 PolarHBondContact O-N 3.08Å; I8-I12 VanDerWaalsContact O-N 3.13Å |
| 9 | A | 65.4 | Low | 57.6 | Low | 56 Ų | 56 | 126.8 Ų | 126.8 | 46% | 0.463 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -60.9 | -35.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G5 C13 | G5-A9 PolarHBondContact O-N 3.5Å; A9-C13 PolarHBondContact O-N 2.82Å |
| 10 | L | 63.4 | Low | 57.1 | Low | 105 Ų | 105 | 126.4 Ų | 126.4 | 55% | 0.55 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -74.4 | -33.5 | 177.7 | -77.3 | 169.7 | 0 | 0 | 0 | 113.2 | F6 H7 I8 C13 S14 | F6-L10 PolarHBondContact O-N 3.3Å; H7-L10 PolarHBondContact O-N 3Å; I8-L10 VanDerWaalsContact C-N 3.29Å; I8-L10 PolarHBondContact O-N 3.12Å; L10-C13 PolarHBondContact O-N 2.82Å; L10-S14 PolarHBondContact O-OG 3.3Å |
| 11 | L | 62.5 | Low | 56.3 | Low | 126 Ų | 126 | 129.2 Ų | 129.2 | 66% | 0.66 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -72.1 | -35.8 | 176.9 | -74.1 | 170.1 | 0 | 0 | 0 | 112.4 | H7 I8 C13 | H7-L11 PolarHBondContact O-N 2.91Å; I8-L11 PolarHBondContact O-N 3.15Å; L11-C13 VanDerWaalsContact C-N 3.3Å; L11-C13 PolarHBondContact O-N 3.31Å |
| 12 | I | 65.2 | Low | 56.2 | Low | 111 Ų | 111 | 121.2 Ų | 121.2 | 57% | 0.569 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -69.2 | -33.2 | 177.2 | -55.5 | 160.4 | 0 | 0 | 0 | 110.5 | I8 S14 L15 | I8-I12 HydrophobicContact CG2-CD1 3.73Å; I8-I12 HydrophobicContact CG2-CG1 4.37Å; I8-I12 WeakPolarHBondContact O-CD1 2.97Å; I8-I12 VanDerWaalsContact O-CG1 3.25Å; I8-I12 WeakPolarHBondContact O-CG1 3.42Å; I8-I12 PolarHBondContact O-N 3.08Å; I8-I12 VanDerWaalsContact O-N 3.13Å; I12-S14 VanDerWaalsContact C-N 3.27Å; I12-S14 PolarHBondContact O-N 3.38Å; I12-L15 PolarHBondContact O-N 3.37Å |
| 13 | C | 55.3 | Low | 55.9 | Low | 98 Ų | 98 | 120.8 Ų | 120.8 | 66% | 0.662 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -73.1 | -16.2 | -176.7 | -144.5 | 0 | 0 | 0 | 0 | 114.1 | A9 L10 L11 | A9-C13 PolarHBondContact O-N 2.82Å; L10-C13 PolarHBondContact O-N 2.82Å; L11-C13 VanDerWaalsContact C-N 3.3Å; L11-C13 PolarHBondContact O-N 3.31Å |
| 14 | S | 59.6 | Low | 55.5 | Low | 101 Ų | 101 | 125.4 Ų | 125.4 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -11.2 | 178.8 | -57.6 | 0 | 0 | 0 | 0 | 114.5 | L10 I12 | L10-S14 PolarHBondContact O-OG 3.3Å; I12-S14 VanDerWaalsContact C-N 3.27Å; I12-S14 PolarHBondContact O-N 3.38Å |
| 15 | L | 53.2 | Low | 55.1 | Low | 159 Ų | 159 | 121.4 Ų | 121.4 | 83% | 0.832 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -101.5 | 5.3 | -174.1 | -71.7 | 176.8 | 0 | 0 | 0 | 115.2 | I12 | I12-L15 PolarHBondContact O-N 3.37Š|
| 16 | S | 54.6 | Low | 55.1 | Low | 92 Ų | 92 | 124.4 Ų | 124.4 | 64% | 0.643 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -140.1 | 35.1 | -173.2 | 60.3 | 0 | 0 | 0 | 0 | 116.1 | ||
| 17 | V | 53.2 | Low | 54.4 | Low | 115 Ų | 115 | 125.8 Ų | 125.8 | 70% | 0.697 | 72% | 0.716 | S | S | * | * | trans | -137.4 | 74.2 | 163 | -164.2 | 0 | 0 | 0 | 0 | 110.4 | V19 | V17-V19 HydrophobicContact CG1-CG2 3.7Å; V17-V19 PolarHBondContact O-N 3.03Å; V17-V19 VanDerWaalsContact O-N 3.13Å | ||
| 18 | E | 54 | Low | 53.8 | Low | 182 Ų | 182 | 122 Ų | 122 | 85% | 0.85 | 71% | 0.705 | S | S | * | * | trans | -68.1 | 100.6 | 152.4 | -69.5 | -177.9 | 169.5 | 0 | 0 | 107 | V20 | E18-V20 HydrophobicContact CB-CG2 4.5Å; E18-V20 PolarHBondContact O-N 3.44Å | ||
| 19 | V | 45.6 | Very low | 53.2 | Low | 124 Ų | 124 | 120.9 Ų | 120.9 | 75% | 0.752 | 71% | 0.711 | S | S | * | * | trans | -70.9 | 89.8 | 165.2 | 179.9 | 0 | 0 | 0 | 0 | 106.5 | V17 K21 | V17-V19 HydrophobicContact CG1-CG2 3.7Å; V17-V19 PolarHBondContact O-N 3.03Å; V17-V19 VanDerWaalsContact O-N 3.13Å; V19-K21 PolarHBondContact O-N 3.31Å | ||
| 20 | V | 48.6 | Very low | 52.9 | Low | 118 Ų | 118 | 128.8 Ų | 128.8 | 72% | 0.715 | 74% | 0.735 | S | S | * | * | trans | -66.4 | 112.3 | 168.3 | -177.2 | 0 | 0 | 0 | 0 | 107.1 | E18 G22 | E18-V20 HydrophobicContact CB-CG2 4.5Å; E18-V20 PolarHBondContact O-N 3.44Å; V20-G22 PolarHBondContact O-N 3.11Å | ||
| 21 | K | 39.8 | Very low | 52.7 | Low | 185 Ų | 185 | 128 Ų | 128 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | -64.7 | 101.8 | 164.6 | -115.2 | 178.4 | 176.7 | -178.4 | 0 | 106.8 | V19 E23 | V19-K21 PolarHBondContact O-N 3.31Å; K21-E23 PolarHBondContact O-N 3.01Å; K21-E23 VanDerWaalsContact O-N 3.13Å | ||
| 22 | G | 40.8 | Very low | 52.6 | Low | 73 Ų | 73 | 124.6 Ų | 124.6 | 75% | 0.753 | 74% | 0.739 | S | S | * | * | trans | -70.4 | 100.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | V20 | V20-G22 PolarHBondContact O-N 3.11Š| ||
| 23 | E | 43.6 | Very low | 52.4 | Low | 169 Ų | 169 | 123.4 Ų | 123.4 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | trans | -83 | 130.1 | 159.5 | -78.2 | -178.7 | 148.4 | 0 | 0 | 107.9 | K21 | K21-E23 PolarHBondContact O-N 3.01Å; K21-E23 VanDerWaalsContact O-N 3.13Å | ||
| 24 | Q | 47.4 | Very low | 52.6 | Low | 185 Ų | 185 | 126.1 Ų | 126.1 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 72.6 | 77.9 | 172.9 | -55.9 | 172.4 | -0.8 | 0 | 0 | 114.7 | V26 | Q24-V26 PolarHBondContact O-N 3.31Š|
| 25 | G | 46.5 | Very low | 52.4 | Low | 85 Ų | 85 | 130.4 Ų | 130.4 | 88% | 0.876 | 74% | 0.738 | S | S | * | * | trans | -64.2 | 101 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 26 | V | 55.6 | Low | 52.4 | Low | 114 Ų | 114 | 127 Ų | 127 | 69% | 0.691 | 72% | 0.721 | S | S | * | * | trans | -120.3 | 112.8 | 150.7 | -89.8 | 0 | 0 | 0 | 0 | 107.2 | Q24 | Q24-V26 PolarHBondContact O-N 3.31Š| ||
| 27 | M | 50.6 | Low | 52.6 | Low | 199 Ų | 199 | 123.9 Ų | 123.9 | 98% | 0.98 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 122.9 | 170.7 | -70.8 | -145 | 167 | 0 | 0 | 108.6 | ||
| 28 | C | 54.4 | Low | 52.8 | Low | 60 Ų | 60 | 121.9 Ų | 121.9 | 41% | 0.405 | 69% | 0.694 | S | S | . | * | P | Polyproline II helix | trans | -95.8 | 140.2 | 171.6 | -82.8 | 0 | 0 | 0 | 0 | 111.4 | C37 | C28-C37 HydrophobicContact CB-CB 4.21Å; C28-C37 WeakPolarHBondContact CB-SG 3.31Å; C28-C37 VanDerWaalsContact SG-CA 3.57Å; C28-C37 WeakPolarHBondContact SG-CB 3.18Å; C28-C37 CovalentContact SG-SG 2.01Å; C28-C37 PolarHBondContact SG-SG 3.49Å |
| 29 | A | 57.3 | Low | 52.9 | Low | 81 Ų | 81 | 116.1 Ų | 116.1 | 67% | 0.669 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 134.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | G31 S32 | A29-G31 PolarHBondContact O-N 3.33Å; A29-G31 VanDerWaalsContact O-N 3.13Å; A29-S32 PolarHBondContact O-OG 2.95Å |
| 30 | F | 59.2 | Low | 53.2 | Low | 222 Ų | 222 | 116.6 Ų | 116.6 | 97% | 0.974 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | 115.8 | 175.4 | -68.8 | -86.9 | 0 | 0 | 0 | 110.4 | ||
| 31 | G | 60.4 | Low | 53.5 | Low | 88 Ų | 88 | 120.1 Ų | 120.1 | 91% | 0.907 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 117.3 | 2.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | A29 | A29-G31 PolarHBondContact O-N 3.33Å; A29-G31 VanDerWaalsContact O-N 3.13Å |
| 32 | S | 59.9 | Low | 54.4 | Low | 55 Ų | 55 | 118.1 Ų | 118.1 | 39% | 0.385 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -91 | 137.2 | 166 | 51.5 | 0 | 0 | 0 | 0 | 111.2 | A29 | A29-S32 PolarHBondContact O-OG 2.95Š|
| 33 | D | 60.2 | Low | 55.2 | Low | 87 Ų | 87 | 126.9 Ų | 126.9 | 47% | 0.465 | 69% | 0.686 | S | S | . | * | trans | -53 | 137.3 | 174.8 | -165.9 | -12.4 | 0 | 0 | 0 | 109.9 | R35 D36 | D33-R35 PolarHBondContact O-N 3.49Å; D33-R35 IonicContact OD1-NE 2.82Å; D33-R35 IonicContact OD2-CZ 3.36Å; D33-R35 IonicContact OD2-NE 3.41Å; D33-R35 IonicContact OD2-NH2 3.87Å; D33-R35 PolarHBondContact OD2-NH2 2.86Å; D33-D36 PolarHBondContact O-N 2.82Å | ||
| 34 | E | 59.8 | Low | 56.2 | Low | 155 Ų | 155 | 121.1 Ų | 121.1 | 72% | 0.724 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -51.2 | -27 | -173.9 | -169.4 | 71.6 | -159.7 | 0 | 0 | 112.5 | D36 C37 A38 | E34-D36 VanDerWaalsContact C-N 3.31Å; E34-D36 PolarHBondContact O-N 3.34Å; E34-C37 PolarHBondContact O-N 3.3Å; E34-A38 PolarHBondContact O-N 2.92Å |
| 35 | R | 55.6 | Low | 57.8 | Low | 191 Ų | 191 | 118.3 Ų | 118.3 | 72% | 0.721 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -69.7 | -18.9 | 177.1 | -69 | 179.4 | -70.4 | 172.9 | 0.5 | 114.9 | D33 | D33-R35 PolarHBondContact O-N 3.49Å; D33-R35 IonicContact OD1-NE 2.82Å; D33-R35 IonicContact OD2-CZ 3.36Å; D33-R35 IonicContact OD2-NE 3.41Å; D33-R35 IonicContact OD2-NH2 3.87Å; D33-R35 PolarHBondContact OD2-NH2 2.86Å |
| 36 | D | 54.2 | Low | 59.8 | Low | 88 Ų | 88 | 117.4 Ų | 117.4 | 47% | 0.471 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -90.8 | -11.5 | 172.3 | -77.8 | -50.2 | 0 | 0 | 0 | 112.5 | D33 E34 K40 | D33-D36 PolarHBondContact O-N 2.82Å; E34-D36 VanDerWaalsContact C-N 3.31Å; E34-D36 PolarHBondContact O-N 3.34Å; D36-K40 WeakPolarHBondContact OD1-CE 3.43Å; D36-K40 IonicContact OD1-NZ 2.7Å; D36-K40 PolarHBondContact OD1-NZ 3.46Å |
| 37 | C | 58.3 | Low | 61.4 | Low | 26 Ų | 26 | 113.8 Ų | 113.8 | 18% | 0.176 | 61% | 0.612 | C | S | . | * | H | α-helix | trans | -95.6 | -26.5 | -179.9 | -85.7 | 0 | 0 | 0 | 0 | 114.6 | C28 E34 G39 | C28-C37 HydrophobicContact CB-CB 4.21Å; C28-C37 WeakPolarHBondContact CB-SG 3.31Å; C28-C37 VanDerWaalsContact SG-CA 3.57Å; C28-C37 WeakPolarHBondContact SG-CB 3.18Å; C28-C37 CovalentContact SG-SG 2.01Å; C28-C37 PolarHBondContact SG-SG 3.49Å; E34-C37 PolarHBondContact O-N 3.3Å; C37-G39 PolarHBondContact O-N 3.38Å |
| 38 | A | 56.8 | Low | 63.5 | Low | 72 Ų | 72 | 105.4 Ų | 105.4 | 60% | 0.595 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -60.9 | 93.9 | 156.5 | 0 | 0 | 0 | 0 | 0 | 105.7 | E34 K40 | E34-A38 PolarHBondContact O-N 2.92Å; A38-K40 PolarHBondContact O-N 3.4Å |
| 39 | G | 55.6 | Low | 65.4 | Low | 62 Ų | 62 | 110.2 Ų | 110.2 | 64% | 0.639 | 59% | 0.589 | S | S | * | * | trans | -38.8 | 113.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | C37 E41 | C37-G39 PolarHBondContact O-N 3.38Å; G39-E41 VanDerWaalsContact C-N 3.3Å; G39-E41 PolarHBondContact O-N 2.92Å | ||
| 40 | K | 52 | Low | 67.1 | Low | 133 Ų | 133 | 110.7 Ų | 110.7 | 58% | 0.578 | 59% | 0.587 | S | S | * | * | trans | -48.6 | 105.1 | -171.4 | -74 | -172.3 | -178.3 | -179.7 | 0 | 106.9 | D36 A38 K42 | D36-K40 WeakPolarHBondContact OD1-CE 3.43Å; D36-K40 IonicContact OD1-NZ 2.7Å; D36-K40 PolarHBondContact OD1-NZ 3.46Å; A38-K40 PolarHBondContact O-N 3.4Å; K40-K42 HydrophobicContact CB-CG 4.4Å; K40-K42 PolarHBondContact O-N 3.4Å | ||
| 41 | E | 56.7 | Low | 68.8 | Low | 192 Ų | 192 | 104.7 Ų | 104.7 | 90% | 0.897 | 57% | 0.573 | S | S | * | * | trans | -68.7 | 71.9 | 156.1 | -166.7 | 137.5 | -179.1 | 0 | 0 | 103.3 | G39 R43 | G39-E41 VanDerWaalsContact C-N 3.3Å; G39-E41 PolarHBondContact O-N 2.92Å; E41-R43 PolarHBondContact O-N 3.12Å; E41-R43 VanDerWaalsContact O-N 3.13Å | ||
| 42 | K | 57.1 | Low | 70.5 | Confident | 144 Ų | 144 | 101.3 Ų | 101.3 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | trans | -48.5 | 128 | 162.4 | -94 | -171.4 | 174.1 | -175.9 | 0 | 102.9 | K40 G44 | K40-K42 HydrophobicContact CB-CG 4.4Å; K40-K42 PolarHBondContact O-N 3.4Å; K42-G44 VanDerWaalsContact O-CA 3.24Å; K42-G44 WeakPolarHBondContact O-CA 3.09Å; K42-G44 PolarHBondContact O-N 3.05Å | ||
| 43 | R | 57.2 | Low | 72.3 | Confident | 257 Ų | 257 | 99.7 Ų | 99.7 | 97% | 0.97 | 52% | 0.524 | S | S | * | . | trans | -46.4 | 81.3 | 174.8 | -131.8 | -176.9 | -75.2 | -166.4 | -4.2 | 107.9 | E41 | E41-R43 PolarHBondContact O-N 3.12Å; E41-R43 VanDerWaalsContact O-N 3.13Å | ||
| 44 | G | 66 | Low | 74 | Confident | 47 Ų | 47 | 103.3 Ų | 103.3 | 49% | 0.485 | 53% | 0.531 | S | S | . | . | trans | -84.4 | 127.5 | -163.1 | 0 | 0 | 0 | 0 | 0 | 104.9 | K42 N46 | K42-G44 VanDerWaalsContact O-CA 3.24Å; K42-G44 WeakPolarHBondContact O-CA 3.09Å; K42-G44 PolarHBondContact O-N 3.05Å; G44-N46 PolarHBondContact O-N 3.04Å | ||
| 45 | I | 81.3 | Confident | 75.6 | Confident | 126 Ų | 126 | 99 Ų | 99 | 65% | 0.646 | 51% | 0.513 | S | S | * | . | trans | -58.5 | 117.9 | 163.4 | -65.5 | 167 | 0 | 0 | 0 | 103.9 | E47 | I45-E47 VanDerWaalsContact C-N 3.29Å; I45-E47 PolarHBondContact O-N 3.34Å | ||
| 46 | N | 87.2 | Confident | 77.4 | Confident | 67 Ų | 67 | 92.7 Ų | 92.7 | 36% | 0.358 | 51% | 0.507 | S | S | . | . | trans | -71.1 | 95.4 | 174.6 | 174.8 | -24.8 | 0 | 0 | 0 | 106.7 | G44 C48 Q49 D61 | G44-N46 PolarHBondContact O-N 3.04Å; N46-C48 PolarHBondContact O-N 3.42Å; N46-C48 VanDerWaalsContact OD1-CA 3.31Å; N46-C48 WeakPolarHBondContact OD1-CA 3.26Å; N46-C48 WeakPolarHBondContact OD1-CB 3.44Å; N46-C48 PolarHBondContact OD1-N 3.4Å; N46-Q49 HydrophobicContact CB-CG 3.9Å; N46-Q49 WeakPolarHBondContact O-CB 3.47Å; N46-Q49 PolarHBondContact O-N 3.35Å; N46-Q49 PolarHBondContact OD1-N 3.03Å; N46-Q49 VanDerWaalsContact OD1-N 3.1Å; N46-D61 WeakPolarHBondContact CA-OD1 3.26Å; N46-D61 PolarHBondContact OD1-OD1 3.28Å | ||
| 47 | E | 89.8 | Confident | 79.3 | Confident | 37 Ų | 37 | 89.1 Ų | 89.1 | 17% | 0.173 | 49% | 0.491 | C | S | . | . | G | 310 helix | trans | -62.7 | -24.5 | -176.8 | -78.4 | 87.8 | -159.8 | 0 | 0 | 111.3 | I45 Q49 S50 D61 D65 Y66 | I45-E47 VanDerWaalsContact C-N 3.29Å; I45-E47 PolarHBondContact O-N 3.34Å; E47-Q49 VanDerWaalsContact C-N 3.28Å; E47-Q49 PolarHBondContact O-N 3Å; E47-S50 PolarHBondContact O-N 2.91Å; E47-S50 PolarHBondContact O-OG 3.29Å; E47-D61 PolarHBondContact N-OD1 3.29Å; E47-D65 PolarHBondContact OE2-N 3.35Å; E47-D65 VanDerWaalsContact OE2-O 3.1Å; E47-Y66 HydrophobicContact CB-CD1 3.9Å; E47-Y66 HydrophobicContact CB-CG 4.42Å |
| 48 | C | 94.4 | Very high | 81.1 | Confident | 24 Ų | 24 | 92.2 Ų | 92.2 | 16% | 0.162 | 50% | 0.503 | C | S | . | . | G | 310 helix | trans | -69.6 | -16.2 | 174.1 | -67.4 | 0 | 0 | 0 | 0 | 114.5 | N46 S50 S51 C59 R60 D61 | N46-C48 PolarHBondContact O-N 3.42Å; N46-C48 VanDerWaalsContact OD1-CA 3.31Å; N46-C48 WeakPolarHBondContact OD1-CA 3.26Å; N46-C48 WeakPolarHBondContact OD1-CB 3.44Å; N46-C48 PolarHBondContact OD1-N 3.4Å; C48-S50 PolarHBondContact O-N 2.92Å; C48-S51 PolarHBondContact O-N 3.28Å; C48-C59 WeakPolarHBondContact CA-SG 3.4Å; C48-C59 HydrophobicContact CB-CB 3.72Å; C48-C59 WeakPolarHBondContact CB-SG 3.5Å; C48-C59 WeakPolarHBondContact SG-CB 3.43Å; C48-C59 CovalentContact SG-SG 2.03Å; C48-C59 PolarHBondContact SG-SG 3.47Å; C48-R60 PolarHBondContact SG-N 3.06Å; C48-D61 PolarHBondContact SG-N 3.2Å; C48-D61 VanDerWaalsContact SG-N 3.41Å |
| 49 | Q | 93.8 | Very high | 83 | Confident | 160 Ų | 160 | 90.6 Ų | 90.6 | 75% | 0.748 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -59.2 | -31.1 | 174.6 | -77.8 | -173.9 | -7.5 | 0 | 0 | 112.6 | N46 E47 S51 | N46-Q49 HydrophobicContact CB-CG 3.9Å; N46-Q49 WeakPolarHBondContact O-CB 3.47Å; N46-Q49 PolarHBondContact O-N 3.35Å; N46-Q49 PolarHBondContact OD1-N 3.03Å; N46-Q49 VanDerWaalsContact OD1-N 3.1Å; E47-Q49 VanDerWaalsContact C-N 3.28Å; E47-Q49 PolarHBondContact O-N 3Å; Q49-S51 PolarHBondContact O-N 3.22Å |
| 50 | S | 93.5 | Very high | 85 | Confident | 91 Ų | 91 | 93.7 Ų | 93.7 | 64% | 0.636 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -73.4 | -4 | 176.9 | 67.9 | 0 | 0 | 0 | 0 | 114 | E47 C48 | E47-S50 PolarHBondContact O-N 2.91Å; E47-S50 PolarHBondContact O-OG 3.29Å; C48-S50 PolarHBondContact O-N 2.92Å |
| 51 | S | 95.1 | Very high | 86.9 | Confident | 97 Ų | 97 | 90.8 Ų | 90.8 | 68% | 0.678 | 47% | 0.47 | S | S | * | . | trans | 48.9 | 56.9 | -172.2 | -60.3 | 0 | 0 | 0 | 0 | 112.8 | C48 Q49 C53 | C48-S51 PolarHBondContact O-N 3.28Å; Q49-S51 PolarHBondContact O-N 3.22Å; S51-C53 VanDerWaalsContact C-N 3.27Å; S51-C53 PolarHBondContact O-N 3.44Å | ||
| 52 | P | 96.2 | Very high | 88.5 | Confident | 17 Ų | 17 | 85.9 Ų | 85.9 | 11% | 0.11 | 45% | 0.45 | C | S | . | . | trans | -69.3 | -25 | -173.1 | 29.2 | -34.8 | 0 | 0 | 0 | 113 | Y66 N78 | P52-Y66 HydrophobicContact CB-CD2 4.13Å; P52-Y66 HydrophobicContact CB-CE1 4.13Å; P52-Y66 HydrophobicContact CB-CE2 3.57Å; P52-Y66 HydrophobicContact CG-CD1 4.18Å; P52-Y66 HydrophobicContact CG-CD2 3.55Å; P52-Y66 HydrophobicContact CG-CE1 4.18Å; P52-Y66 HydrophobicContact CG-CE2 3.55Å; P52-Y66 HydrophobicContact CG-CG 3.87Å; P52-N78 WeakPolarHBondContact O-CB 3.29Å | ||
| 53 | C | 97.4 | Very high | 90 | Very high | 20 Ų | 20 | 84.3 Ų | 84.3 | 14% | 0.135 | 45% | 0.452 | C | S | . | . | trans | -75.3 | 123 | -178.7 | -50.8 | 0 | 0 | 0 | 0 | 111.9 | S51 G57 C59 C68 | S51-C53 VanDerWaalsContact C-N 3.27Å; S51-C53 PolarHBondContact O-N 3.44Å; C53-G57 WeakPolarHBondContact CB-O 3.28Å; C53-C59 VanDerWaalsContact SG-CA 3.54Å; C53-C59 WeakPolarHBondContact SG-CB 3.42Å; C53-C59 VanDerWaalsContact SG-SG 3.68Å; C53-C68 WeakPolarHBondContact CA-SG 3.45Å; C53-C68 HydrophobicContact CB-CB 3.8Å; C53-C68 WeakPolarHBondContact CB-SG 3.48Å; C53-C68 WeakPolarHBondContact SG-CA 3.46Å; C53-C68 WeakPolarHBondContact SG-CB 3.27Å; C53-C68 CovalentContact SG-SG 2.02Å; C53-C68 PolarHBondContact SG-SG 2.79Å | ||
| 54 | R | 95.6 | Very high | 91.5 | Very high | 163 Ų | 163 | 78 Ų | 78 | 62% | 0.615 | 44% | 0.437 | S | S | * | . | trans | -91.4 | 171.6 | 177.9 | -60.2 | -167.5 | 174.6 | -147.2 | -1.2 | 111.6 | G56 G57 N78 C79 | R54-G56 PolarHBondContact O-N 2.89Å; R54-G56 VanDerWaalsContact O-N 3.09Å; R54-G57 PolarHBondContact O-N 3.34Å; R54-N78 WeakPolarHBondContact CB-O 3.49Å; R54-N78 PolarHBondContact N-O 2.86Å; R54-C79 WeakPolarHBondContact O-CB 3.32Å | ||
| 55 | N | 93.9 | Very high | 92.7 | Very high | 65 Ų | 65 | 78.6 Ų | 78.6 | 35% | 0.348 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 37.4 | 172.1 | -58.9 | -47.4 | 0 | 0 | 0 | 113.1 | G57 M71 F74 C79 | N55-G57 VanDerWaalsContact C-N 3.35Å; N55-G57 PolarHBondContact O-N 3.29Å; N55-M71 WeakPolarHBondContact O-CE 3.27Å; N55-F74 HydrophobicContact CB-CD1 3.44Å; N55-F74 VanDerWaalsContact CB-CD1 3.44Å; N55-F74 HydrophobicContact CB-CD2 4.1Å; N55-F74 HydrophobicContact CB-CE1 3.44Å; N55-F74 VanDerWaalsContact CB-CE1 3.44Å; N55-F74 HydrophobicContact CB-CE2 4.1Å; N55-F74 HydrophobicContact CB-CG 3.78Å; N55-F74 HydrophobicContact CB-CZ 3.78Å; N55-F74 VanDerWaalsContact ND2-CD1 3.35Å; N55-F74 WeakPolarHBondContact ND2-CD1 3.48Å; N55-C79 PolarHBondContact ND2-O 2.9Å |
| 56 | G | 93 | Very high | 93.3 | Very high | 58 Ų | 58 | 74.6 Ų | 74.6 | 60% | 0.598 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 26.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | R54 | R54-G56 PolarHBondContact O-N 2.89Å; R54-G56 VanDerWaalsContact O-N 3.09Å |
| 57 | G | 95.1 | Very high | 93.7 | Very high | 14 Ų | 14 | 77.4 Ų | 77.4 | 14% | 0.144 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -64 | 142.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | C53 R54 N55 K69 | C53-G57 WeakPolarHBondContact CB-O 3.28Å; R54-G57 PolarHBondContact O-N 3.34Å; N55-G57 VanDerWaalsContact C-N 3.35Å; N55-G57 PolarHBondContact O-N 3.29Å; G57-K69 WeakPolarHBondContact CA-O 3.39Å |
| 58 | E | 96 | Very high | 94.1 | Very high | 91 Ų | 91 | 76 Ų | 76 | 43% | 0.425 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 120.5 | 176 | 179.5 | -163.7 | 144.3 | 0 | 0 | 109 | R60 K69 | E58-R60 IonicContact OE1-CZ 3.36Å; E58-R60 IonicContact OE1-NE 3.6Å; E58-R60 PolarHBondContact OE1-NE 3.05Å; E58-R60 IonicContact OE1-NH2 3.89Å; E58-R60 PolarHBondContact OE1-NH2 3.06Å; E58-K69 HydrophobicContact CB-CB 4.24Å; E58-K69 PolarHBondContact N-O 3.42Å; E58-K69 PolarHBondContact O-N 2.82Å; E58-K69 IonicContact OE2-NZ 3.96Å; E58-K69 PolarHBondContact OE2-NZ 3.16Å |
| 59 | C | 97.3 | Very high | 94.1 | Very high | 38 Ų | 38 | 79.6 Ų | 79.6 | 26% | 0.257 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 134.4 | -179.9 | -164.7 | 0 | 0 | 0 | 0 | 111.3 | C48 C53 | C48-C59 WeakPolarHBondContact CA-SG 3.4Å; C48-C59 HydrophobicContact CB-CB 3.72Å; C48-C59 WeakPolarHBondContact CB-SG 3.5Å; C48-C59 WeakPolarHBondContact SG-CB 3.43Å; C48-C59 CovalentContact SG-SG 2.03Å; C48-C59 PolarHBondContact SG-SG 3.47Å; C53-C59 VanDerWaalsContact SG-CA 3.54Å; C53-C59 WeakPolarHBondContact SG-CB 3.42Å; C53-C59 VanDerWaalsContact SG-SG 3.68Å |
| 60 | R | 95.9 | Very high | 94.1 | Very high | 127 Ų | 127 | 73.9 Ų | 73.9 | 48% | 0.479 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 124.6 | 170.2 | -64.9 | -173.2 | 178 | -165 | -6.1 | 109.8 | C48 E58 Y66 Y67 | C48-R60 PolarHBondContact SG-N 3.06Å; E58-R60 IonicContact OE1-CZ 3.36Å; E58-R60 IonicContact OE1-NE 3.6Å; E58-R60 PolarHBondContact OE1-NE 3.05Å; E58-R60 IonicContact OE1-NH2 3.89Å; E58-R60 PolarHBondContact OE1-NH2 3.06Å; R60-Y66 WeakPolarHBondContact O-CA 3.48Å; R60-Y67 PolarHBondContact N-O 3.42Å; R60-Y67 PolarHBondContact O-N 2.74Å |
| 61 | D | 92.3 | Very high | 94 | Very high | 72 Ų | 72 | 74.3 Ų | 74.3 | 39% | 0.385 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 135.1 | 176.4 | -162 | 63 | 0 | 0 | 0 | 110.1 | N46 E47 C48 | N46-D61 WeakPolarHBondContact CA-OD1 3.26Å; N46-D61 PolarHBondContact OD1-OD1 3.28Å; E47-D61 PolarHBondContact N-OD1 3.29Å; C48-D61 PolarHBondContact SG-N 3.2Å; C48-D61 VanDerWaalsContact SG-N 3.41Å |
| 62 | L | 91 | Very high | 93.7 | Very high | 88 Ų | 88 | 77 Ų | 77 | 46% | 0.461 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 176.7 | 175.9 | -58 | 175.9 | 0 | 0 | 0 | 108.8 | N64 D65 | L62-N64 PolarHBondContact O-N 3.06Å; L62-N64 VanDerWaalsContact O-N 3.12Å; L62-D65 CarbonylContact C-O 3.34Å; L62-D65 VanDerWaalsContact CA-O 3.29Å; L62-D65 WeakPolarHBondContact CA-O 3.4Å; L62-D65 HydrophobicContact CB-CB 4.34Å; L62-D65 VanDerWaalsContact CB-O 3.28Å; L62-D65 WeakPolarHBondContact CB-O 3.38Å; L62-D65 PolarHBondContact N-O 3.42Å; L62-D65 VanDerWaalsContact O-O 3.08Å |
| 63 | V | 88.6 | Confident | 93.4 | Very high | 111 Ų | 111 | 76.3 Ų | 76.3 | 67% | 0.673 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | 108.8 | 179 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | D65 | V63-D65 PolarHBondContact O-N 2.9Š|
| 64 | N | 87.6 | Confident | 93.1 | Very high | 124 Ų | 124 | 77.6 Ų | 77.6 | 66% | 0.663 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 26.7 | -176.8 | -52.4 | -55.4 | 0 | 0 | 0 | 113.3 | L62 | L62-N64 PolarHBondContact O-N 3.06Å; L62-N64 VanDerWaalsContact O-N 3.12Å |
| 65 | D | 92.5 | Very high | 92.9 | Very high | 60 Ų | 60 | 72.7 Ų | 72.7 | 32% | 0.321 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 172.4 | 179.5 | -158.6 | 5 | 0 | 0 | 0 | 109.6 | E47 L62 V63 K77 | E47-D65 PolarHBondContact OE2-N 3.35Å; E47-D65 VanDerWaalsContact OE2-O 3.1Å; L62-D65 CarbonylContact C-O 3.34Å; L62-D65 VanDerWaalsContact CA-O 3.29Å; L62-D65 WeakPolarHBondContact CA-O 3.4Å; L62-D65 HydrophobicContact CB-CB 4.34Å; L62-D65 VanDerWaalsContact CB-O 3.28Å; L62-D65 WeakPolarHBondContact CB-O 3.38Å; L62-D65 PolarHBondContact N-O 3.42Å; L62-D65 VanDerWaalsContact O-O 3.08Å; V63-D65 PolarHBondContact O-N 2.9Å; D65-K77 VanDerWaalsContact OD1-CE 3.31Å; D65-K77 WeakPolarHBondContact OD1-CE 3.31Å; D65-K77 IonicContact OD1-NZ 3.53Å; D65-K77 PolarHBondContact OD1-NZ 3Å; D65-K77 IonicContact OD2-NZ 2.8Å; D65-K77 PolarHBondContact OD2-NZ 3.48Å |
| 66 | Y | 94 | Very high | 92.8 | Very high | 42 Ų | 42 | 71 Ų | 71 | 17% | 0.165 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 157.6 | 170.7 | 61.5 | -82.2 | 0 | 0 | 0 | 110.7 | E47 P52 R60 K77 N78 | E47-Y66 HydrophobicContact CB-CD1 3.9Å; E47-Y66 HydrophobicContact CB-CG 4.42Å; P52-Y66 HydrophobicContact CB-CD2 4.13Å; P52-Y66 HydrophobicContact CB-CE1 4.13Å; P52-Y66 HydrophobicContact CB-CE2 3.57Å; P52-Y66 HydrophobicContact CG-CD1 4.18Å; P52-Y66 HydrophobicContact CG-CD2 3.55Å; P52-Y66 HydrophobicContact CG-CE1 4.18Å; P52-Y66 HydrophobicContact CG-CE2 3.55Å; P52-Y66 HydrophobicContact CG-CG 3.87Å; R60-Y66 WeakPolarHBondContact O-CA 3.48Å; Y66-K77 HydrophobicContact CE2-CG 4.39Å; Y66-N78 WeakPolarHBondContact CE2-OD1 3.36Å; Y66-N78 VanDerWaalsContact OH-CG 3.32Å; Y66-N78 PolarHBondContact OH-ND2 3.26Å; Y66-N78 PolarHBondContact OH-OD1 3.13Å |
| 67 | Y | 95.7 | Very high | 92.8 | Very high | 127 Ų | 127 | 73.5 Ų | 73.5 | 50% | 0.498 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 122.4 | 171.5 | 172.7 | -101.5 | 0 | 0 | 0 | 110.3 | R60 K69 | R60-Y67 PolarHBondContact N-O 3.42Å; R60-Y67 PolarHBondContact O-N 2.74Å; Y67-K69 HydrophobicContact CE1-CB 3.92Å |
| 68 | C | 96.6 | Very high | 92.8 | Very high | 6 Ų | 6 | 74.8 Ų | 74.8 | 4% | 0.041 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 117.7 | 170.8 | -63.7 | 0 | 0 | 0 | 0 | 110.7 | C53 C70 K77 C79 | C53-C68 WeakPolarHBondContact CA-SG 3.45Å; C53-C68 HydrophobicContact CB-CB 3.8Å; C53-C68 WeakPolarHBondContact CB-SG 3.48Å; C53-C68 WeakPolarHBondContact SG-CA 3.46Å; C53-C68 WeakPolarHBondContact SG-CB 3.27Å; C53-C68 CovalentContact SG-SG 2.02Å; C53-C68 PolarHBondContact SG-SG 2.79Å; C68-C70 PolarHBondContact O-N 3.3Å; C68-K77 VanDerWaalsContact CB-O 3.27Å; C68-K77 WeakPolarHBondContact CB-O 3.4Å; C68-K77 PolarHBondContact SG-O 3.15Å; C68-K77 VanDerWaalsContact SG-O 3.33Å; C68-C79 VanDerWaalsContact CB-SG 3.54Å |
| 69 | K | 95.4 | Very high | 92.8 | Very high | 100 Ų | 100 | 70.5 Ų | 70.5 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 104.4 | 166.8 | -178.7 | -174.2 | 170.3 | -163.1 | 0 | 108.9 | G57 E58 Y67 | G57-K69 WeakPolarHBondContact CA-O 3.39Å; E58-K69 HydrophobicContact CB-CB 4.24Å; E58-K69 PolarHBondContact N-O 3.42Å; E58-K69 PolarHBondContact O-N 2.82Å; E58-K69 IonicContact OE2-NZ 3.96Å; E58-K69 PolarHBondContact OE2-NZ 3.16Å; Y67-K69 HydrophobicContact CE1-CB 3.92Å |
| 70 | C | 93.1 | Very high | 92.6 | Very high | 40 Ų | 40 | 72.6 Ų | 72.6 | 27% | 0.27 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 141.1 | -177.4 | -54.3 | 0 | 0 | 0 | 0 | 112.8 | C68 F74 C79 | C68-C70 PolarHBondContact O-N 3.3Å; C70-F74 HydrophobicContact CB-CB 4.2Å; C70-F74 VanDerWaalsContact CB-O 3.3Å; C70-F74 WeakPolarHBondContact CB-O 3.22Å; C70-C79 WeakPolarHBondContact CA-SG 3.44Å; C70-C79 HydrophobicContact CB-CB 3.76Å; C70-C79 WeakPolarHBondContact CB-SG 3.39Å; C70-C79 WeakPolarHBondContact SG-CA 3.27Å; C70-C79 WeakPolarHBondContact SG-CB 3.4Å; C70-C79 CovalentContact SG-SG 2.04Å; C70-C79 PolarHBondContact SG-SG 3.32Å |
| 71 | M | 91.3 | Very high | 92.3 | Very high | 100 Ų | 100 | 70.6 Ų | 70.6 | 49% | 0.493 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 158.6 | 166.7 | -71.1 | -159.3 | -73.1 | 0 | 0 | 111 | N55 G73 F74 | N55-M71 WeakPolarHBondContact O-CE 3.27Å; M71-G73 PolarHBondContact O-N 2.73Å; M71-F74 HydrophobicContact CB-CD2 4.03Å; M71-F74 HydrophobicContact CB-CE2 4.46Å; M71-F74 PolarHBondContact O-N 2.76Å; M71-F74 VanDerWaalsContact O-N 3.09Å |
| 72 | Q | 88.3 | Confident | 92.2 | Very high | 154 Ų | 154 | 70.4 Ų | 70.4 | 72% | 0.72 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 126.5 | 177.6 | -71.2 | -165.8 | 82 | 0 | 0 | 110.7 | ||
| 73 | G | 89.9 | Confident | 92.2 | Very high | 2 Ų | 2 | 66.6 Ų | 66.6 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.2 | -2.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116 | M71 A83 N96 | M71-G73 PolarHBondContact O-N 2.73Å; G73-A83 WeakPolarHBondContact O-CB 3.45Å; G73-A83 PolarHBondContact O-N 3.17Å; G73-N96 VanDerWaalsContact CA-CB 3.41Å; G73-N96 WeakPolarHBondContact CA-OD1 3.3Å |
| 74 | F | 92.1 | Very high | 92.4 | Very high | 48 Ų | 48 | 62.4 Ų | 62.4 | 21% | 0.211 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 148.3 | 174.7 | -56.8 | -82.1 | 0 | 0 | 0 | 111.1 | N55 C70 M71 C79 I81 I82 | N55-F74 HydrophobicContact CB-CD1 3.44Å; N55-F74 VanDerWaalsContact CB-CD1 3.44Å; N55-F74 HydrophobicContact CB-CD2 4.1Å; N55-F74 HydrophobicContact CB-CE1 3.44Å; N55-F74 VanDerWaalsContact CB-CE1 3.44Å; N55-F74 HydrophobicContact CB-CE2 4.1Å; N55-F74 HydrophobicContact CB-CG 3.78Å; N55-F74 HydrophobicContact CB-CZ 3.78Å; N55-F74 VanDerWaalsContact ND2-CD1 3.35Å; N55-F74 WeakPolarHBondContact ND2-CD1 3.48Å; C70-F74 HydrophobicContact CB-CB 4.2Å; C70-F74 VanDerWaalsContact CB-O 3.3Å; C70-F74 WeakPolarHBondContact CB-O 3.22Å; M71-F74 HydrophobicContact CB-CD2 4.03Å; M71-F74 HydrophobicContact CB-CE2 4.46Å; M71-F74 PolarHBondContact O-N 2.76Å; M71-F74 VanDerWaalsContact O-N 3.09Å; F74-C79 HydrophobicContact CB-CB 4.14Å; F74-I81 CarbonylContact C-O 3.17Å; F74-I81 VanDerWaalsContact CA-O 3.3Å; F74-I81 WeakPolarHBondContact CA-O 3.25Å; F74-I82 HydrophobicContact CD1-CB 4.48Å; F74-I82 HydrophobicContact CD1-CG1 4.05Å; F74-I82 HydrophobicContact CE1-CB 4.45Å; F74-I82 HydrophobicContact CE1-CD1 4.38Å; F74-I82 HydrophobicContact CE1-CG1 3.88Å; F74-I82 HydrophobicContact CE1-CG2 4.21Å |
| 75 | R | 90.6 | Very high | 92.6 | Very high | 60 Ų | 60 | 62.7 Ų | 62.7 | 23% | 0.226 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 179.1 | 178.6 | -64.4 | -166.8 | -168.7 | 75.8 | 34.8 | 110.9 | C79 E80 I81 L97 P98 G100 | R75-C79 CarbonylContact O-C 3.46Å; R75-C79 VanDerWaalsContact O-CA 3.23Å; R75-C79 WeakPolarHBondContact O-CA 3.42Å; R75-E80 PolarHBondContact O-N 3.33Å; R75-E80 VanDerWaalsContact O-N 3.11Å; R75-I81 HydrophobicContact CB-CB 4.25Å; R75-I81 PolarHBondContact N-O 2.96Å; R75-I81 WeakPolarHBondContact O-CA 3.37Å; R75-I81 VanDerWaalsContact O-CB 3.29Å; R75-I81 WeakPolarHBondContact O-CB 3.27Å; R75-I81 PolarHBondContact O-N 3.08Å; R75-L97 PolarHBondContact NH2-O 2.77Å; R75-P98 PolarHBondContact NE-O 3.31Å; R75-P98 VanDerWaalsContact NH2-C 3.28Å; R75-P98 PolarHBondContact NH2-O 3.45Å; R75-G100 PolarHBondContact NH1-O 3.33Å; R75-G100 VanDerWaalsContact NH2-CA 3.33Å; R75-G100 PolarHBondContact NH2-O 3.19Å |
| 76 | G | 91.6 | Very high | 92.4 | Very high | 30 Ų | 30 | 66.1 Ų | 66.1 | 31% | 0.309 | 33% | 0.328 | S | S | . | . | S | Bend | trans | 97.9 | 165.5 | -174 | 0 | 0 | 0 | 0 | 0 | 110.6 | N78 C79 E80 | G76-N78 PolarHBondContact O-N 3.25Å; G76-C79 PolarHBondContact O-N 2.76Å; G76-E80 WeakPolarHBondContact CA-OE1 3.37Å |
| 77 | K | 93.9 | Very high | 92.2 | Very high | 109 Ų | 109 | 66.7 Ų | 66.7 | 47% | 0.474 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -29.9 | -178.6 | -179.3 | 143.5 | 178.8 | 167.5 | 0 | 111.2 | D65 Y66 C68 | D65-K77 VanDerWaalsContact OD1-CE 3.31Å; D65-K77 WeakPolarHBondContact OD1-CE 3.31Å; D65-K77 IonicContact OD1-NZ 3.53Å; D65-K77 PolarHBondContact OD1-NZ 3Å; D65-K77 IonicContact OD2-NZ 2.8Å; D65-K77 PolarHBondContact OD2-NZ 3.48Å; Y66-K77 HydrophobicContact CE2-CG 4.39Å; C68-K77 VanDerWaalsContact CB-O 3.27Å; C68-K77 WeakPolarHBondContact CB-O 3.4Å; C68-K77 PolarHBondContact SG-O 3.15Å; C68-K77 VanDerWaalsContact SG-O 3.33Å |
| 78 | N | 96 | Very high | 92.1 | Very high | 42 Ų | 42 | 61.7 Ų | 61.7 | 23% | 0.225 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 16.9 | -176.6 | -60.8 | 13.2 | 0 | 0 | 0 | 111.1 | P52 R54 Y66 G76 E80 | P52-N78 WeakPolarHBondContact O-CB 3.29Å; R54-N78 WeakPolarHBondContact CB-O 3.49Å; R54-N78 PolarHBondContact N-O 2.86Å; Y66-N78 WeakPolarHBondContact CE2-OD1 3.36Å; Y66-N78 VanDerWaalsContact OH-CG 3.32Å; Y66-N78 PolarHBondContact OH-ND2 3.26Å; Y66-N78 PolarHBondContact OH-OD1 3.13Å; G76-N78 PolarHBondContact O-N 3.25Å; N78-E80 WeakPolarHBondContact CA-OE2 3.21Å; N78-E80 VanDerWaalsContact CB-OE2 3.31Å; N78-E80 WeakPolarHBondContact CB-OE2 3.44Å; N78-E80 PolarHBondContact N-OE2 2.87Å; N78-E80 PolarHBondContact O-N 2.76Å; N78-E80 VanDerWaalsContact O-N 3.17Å |
| 79 | C | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.331 | C | S | . | . | S | Bend | trans | 56.5 | 27.1 | -174.9 | -49.8 | 0 | 0 | 0 | 0 | 114 | R54 N55 C68 C70 F74 R75 G76 | R54-C79 WeakPolarHBondContact O-CB 3.32Å; N55-C79 PolarHBondContact ND2-O 2.9Å; C68-C79 VanDerWaalsContact CB-SG 3.54Å; C70-C79 WeakPolarHBondContact CA-SG 3.44Å; C70-C79 HydrophobicContact CB-CB 3.76Å; C70-C79 WeakPolarHBondContact CB-SG 3.39Å; C70-C79 WeakPolarHBondContact SG-CA 3.27Å; C70-C79 WeakPolarHBondContact SG-CB 3.4Å; C70-C79 CovalentContact SG-SG 2.04Å; C70-C79 PolarHBondContact SG-SG 3.32Å; F74-C79 HydrophobicContact CB-CB 4.14Å; R75-C79 CarbonylContact O-C 3.46Å; R75-C79 VanDerWaalsContact O-CA 3.23Å; R75-C79 WeakPolarHBondContact O-CA 3.42Å; G76-C79 PolarHBondContact O-N 2.76Å |
| 80 | E | 93.3 | Very high | 92 | Very high | 83 Ų | 83 | 60.5 Ų | 60.5 | 39% | 0.388 | 33% | 0.33 | S | S | . | . | trans | -79.3 | -22 | -175.5 | 72.7 | -73.2 | 173.8 | 0 | 0 | 113.9 | R75 G76 N78 | R75-E80 PolarHBondContact O-N 3.33Å; R75-E80 VanDerWaalsContact O-N 3.11Å; G76-E80 WeakPolarHBondContact CA-OE1 3.37Å; N78-E80 WeakPolarHBondContact CA-OE2 3.21Å; N78-E80 VanDerWaalsContact CB-OE2 3.31Å; N78-E80 WeakPolarHBondContact CB-OE2 3.44Å; N78-E80 PolarHBondContact N-OE2 2.87Å; N78-E80 PolarHBondContact O-N 2.76Å; N78-E80 VanDerWaalsContact O-N 3.17Å | ||
| 81 | I | 90.6 | Very high | 91.9 | Very high | 84 Ų | 84 | 62.9 Ų | 62.9 | 43% | 0.431 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 112.9 | -177.9 | -53.7 | 174.9 | 0 | 0 | 0 | 109.3 | F74 R75 | F74-I81 CarbonylContact C-O 3.17Å; F74-I81 VanDerWaalsContact CA-O 3.3Å; F74-I81 WeakPolarHBondContact CA-O 3.25Å; R75-I81 HydrophobicContact CB-CB 4.25Å; R75-I81 PolarHBondContact N-O 2.96Å; R75-I81 WeakPolarHBondContact O-CA 3.37Å; R75-I81 VanDerWaalsContact O-CB 3.29Å; R75-I81 WeakPolarHBondContact O-CB 3.27Å; R75-I81 PolarHBondContact O-N 3.08Å |
| 82 | I | 90.2 | Very high | 92 | Very high | 69 Ų | 69 | 59.1 Ų | 59.1 | 35% | 0.354 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 123.6 | 172.5 | -47.5 | -177.8 | 0 | 0 | 0 | 109.1 | F74 C84 | F74-I82 HydrophobicContact CD1-CB 4.48Å; F74-I82 HydrophobicContact CD1-CG1 4.05Å; F74-I82 HydrophobicContact CE1-CB 4.45Å; F74-I82 HydrophobicContact CE1-CD1 4.38Å; F74-I82 HydrophobicContact CE1-CG1 3.88Å; F74-I82 HydrophobicContact CE1-CG2 4.21Å; I82-C84 WeakPolarHBondContact CG2-O 3.47Å |
| 83 | A | 90.2 | Very high | 92.2 | Very high | 7 Ų | 7 | 56.4 Ų | 56.4 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -68.5 | -51.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G73 K85 L88 | G73-A83 WeakPolarHBondContact O-CB 3.45Å; G73-A83 PolarHBondContact O-N 3.17Å; A83-K85 PolarHBondContact O-N 2.89Å; A83-L88 VanDerWaalsContact O-CD2 3.23Å; A83-L88 WeakPolarHBondContact O-CD2 2.92Å |
| 84 | C | 93.6 | Very high | 92.5 | Very high | 24 Ų | 24 | 58 Ų | 58 | 16% | 0.162 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -89.8 | 87.9 | 173.4 | -75.9 | 0 | 0 | 0 | 0 | 111.7 | I82 C94 N96 | I82-C84 WeakPolarHBondContact CG2-O 3.47Å; C84-C94 WeakPolarHBondContact CA-SG 3.32Å; C84-C94 HydrophobicContact CB-CB 3.66Å; C84-C94 WeakPolarHBondContact CB-SG 3.48Å; C84-C94 WeakPolarHBondContact SG-CB 3.48Å; C84-C94 CovalentContact SG-SG 2.03Å; C84-C94 PolarHBondContact SG-SG 3.46Å; C84-N96 WeakPolarHBondContact CB-OD1 3.38Å; C84-N96 PolarHBondContact N-OD1 3.26Å; C84-N96 PolarHBondContact SG-OD1 3.28Å |
| 85 | K | 90.9 | Very high | 92.5 | Very high | 129 Ų | 129 | 62.6 Ų | 62.6 | 56% | 0.561 | 34% | 0.343 | S | S | * | . | trans | -73.9 | 146.9 | 172.2 | -62.4 | -177.1 | -178.3 | 179.7 | 0 | 110.8 | A83 G87 L88 | A83-K85 PolarHBondContact O-N 2.89Å; K85-G87 PolarHBondContact O-N 3.45Å; K85-L88 HydrophobicContact CB-CB 4.4Å; K85-L88 WeakPolarHBondContact O-CB 3.47Å; K85-L88 PolarHBondContact O-N 3.48Å; K85-L88 VanDerWaalsContact O-N 3.11Å | ||
| 86 | P | 89.3 | Confident | 92.5 | Very high | 132 Ų | 132 | 62.9 Ų | 62.9 | 86% | 0.857 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 134.2 | 169.5 | -25.6 | 34.6 | 0 | 0 | 0 | 111.3 | L88 | P86-L88 PolarHBondContact O-N 3.42Š|
| 87 | G | 90.2 | Very high | 92.3 | Very high | 54 Ų | 54 | 64.5 Ų | 64.5 | 56% | 0.557 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 8.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | K85 R113 | K85-G87 PolarHBondContact O-N 3.45Å; G87-R113 PolarHBondContact O-NH2 3.08Å |
| 88 | L | 92.6 | Very high | 91.6 | Very high | 22 Ų | 22 | 64 Ų | 64 | 12% | 0.115 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -64.7 | -49.3 | 176.6 | -178.4 | 60.9 | 0 | 0 | 0 | 112 | A83 K85 P86 Y101 R113 | A83-L88 VanDerWaalsContact O-CD2 3.23Å; A83-L88 WeakPolarHBondContact O-CD2 2.92Å; K85-L88 HydrophobicContact CB-CB 4.4Å; K85-L88 WeakPolarHBondContact O-CB 3.47Å; K85-L88 PolarHBondContact O-N 3.48Å; K85-L88 VanDerWaalsContact O-N 3.11Å; P86-L88 PolarHBondContact O-N 3.42Å; L88-Y101 HydrophobicContact CD1-CE1 4.31Å; L88-Y101 HydrophobicContact CD1-CE2 4.07Å; L88-Y101 HydrophobicContact CD2-CD1 3.7Å; L88-Y101 HydrophobicContact CD2-CD2 3.42Å; L88-Y101 VanDerWaalsContact CD2-CD2 3.42Å; L88-Y101 HydrophobicContact CD2-CE1 3.76Å; L88-Y101 HydrophobicContact CD2-CE2 3.48Å; L88-Y101 VanDerWaalsContact CD2-CE2 3.48Å; L88-Y101 HydrophobicContact CD2-CG 3.53Å; L88-Y101 HydrophobicContact CG-CD2 4.07Å; L88-Y101 HydrophobicContact CG-CE1 4.46Å; L88-Y101 HydrophobicContact CG-CE2 3.69Å; L88-R113 HydrophobicContact CD1-CG 4.4Å; L88-R113 WeakPolarHBondContact O-CB 3.21Å; L88-R113 WeakPolarHBondContact O-CG 3.45Å; L88-R113 PolarHBondContact O-NE 2.8Å |
| 89 | C | 95 | Very high | 90.9 | Very high | 14 Ų | 14 | 69.5 Ų | 69.5 | 10% | 0.095 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -95 | 110.1 | 171.5 | -48.3 | 0 | 0 | 0 | 0 | 107.8 | G92 C94 C103 | C89-G92 WeakPolarHBondContact CB-O 3.48Å; C89-C94 HydrophobicContact CB-CB 4.49Å; C89-C94 WeakPolarHBondContact SG-CA 3.18Å; C89-C94 WeakPolarHBondContact SG-CB 3.02Å; C89-C103 VanDerWaalsContact CA-SG 3.53Å; C89-C103 HydrophobicContact CB-CB 3.71Å; C89-C103 WeakPolarHBondContact CB-SG 3.44Å; C89-C103 WeakPolarHBondContact SG-CA 3.22Å; C89-C103 WeakPolarHBondContact SG-CB 3Å; C89-C103 CovalentContact SG-SG 2.01Å; C89-C103 PolarHBondContact SG-SG 3.5Å |
| 90 | V | 94 | Very high | 90.5 | Very high | 67 Ų | 67 | 70.3 Ų | 70.3 | 41% | 0.406 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -54.2 | -172.6 | 179.8 | 0 | 0 | 0 | 0 | 110.5 | R113 L115 | V90-R113 PolarHBondContact N-O 3.19Å; V90-L115 HydrophobicContact CB-CD2 3.69Å; V90-L115 HydrophobicContact CB-CG 4.22Å; V90-L115 HydrophobicContact CG1-CD2 3.93Å; V90-L115 HydrophobicContact CG2-CD1 4.46Å; V90-L115 HydrophobicContact CG2-CD2 3.53Å; V90-L115 HydrophobicContact CG2-CG 3.92Å |
| 91 | F | 92.1 | Very high | 90.4 | Very high | 91 Ų | 91 | 69 Ų | 69 | 40% | 0.399 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 61.4 | 172.5 | -58.4 | -71.6 | 0 | 0 | 0 | 110.7 | C105 T106 F109 C114 | F91-C105 WeakPolarHBondContact O-CA 3.38Å; F91-T106 PolarHBondContact O-N 3.28Å; F91-T106 PolarHBondContact O-OG1 2.86Å; F91-F109 HydrophobicContact CB-CB 3.91Å; F91-F109 HydrophobicContact CB-CD1 3.82Å; F91-F109 HydrophobicContact CB-CD2 3.38Å; F91-F109 HydrophobicContact CB-CE1 4.17Å; F91-F109 HydrophobicContact CB-CE2 3.76Å; F91-F109 HydrophobicContact CB-CG 3.4Å; F91-F109 HydrophobicContact CB-CZ 4.13Å; F91-F109 HydrophobicContact CD1-CD2 4.37Å; F91-F109 HydrophobicContact CD1-CE1 4.23Å; F91-F109 AromaticContact CD1-CE2 3.84Å; F91-F109 HydrophobicContact CD1-CE2 3.84Å; F91-F109 AromaticContact CD1-CZ 3.76Å; F91-F109 HydrophobicContact CD1-CZ 3.76Å; F91-F109 AromaticContact CD2-CD1 3.29Å; F91-F109 HydrophobicContact CD2-CD1 3.29Å; F91-F109 HydrophobicContact CD2-CD2 4.24Å; F91-F109 AromaticContact CD2-CE1 3.12Å; F91-F109 HydrophobicContact CD2-CE1 3.12Å; F91-F109 HydrophobicContact CD2-CE2 4.09Å; F91-F109 AromaticContact CD2-CG 3.86Å; F91-F109 HydrophobicContact CD2-CG 3.86Å; F91-F109 AromaticContact CD2-CZ 3.55Å; F91-F109 HydrophobicContact CD2-CZ 3.55Å; F91-F109 HydrophobicContact CE1-CE1 4.43Å; F91-F109 HydrophobicContact CE1-CE2 4.45Å; F91-F109 AromaticContact CE1-CZ 3.97Å; F91-F109 HydrophobicContact CE1-CZ 3.97Å; F91-F109 HydrophobicContact CE2-CD1 4.01Å; F91-F109 AromaticContact CE2-CE1 3.39Å; F91-F109 HydrophobicContact CE2-CE1 3.39Å; F91-F109 AromaticContact CE2-CZ 3.78Å; F91-F109 HydrophobicContact CE2-CZ 3.78Å; F91-F109 AromaticContact CG-CD1 3.72Å; F91-F109 HydrophobicContact CG-CD1 3.72Å; F91-F109 AromaticContact CG-CD2 3.77Å; F91-F109 HydrophobicContact CG-CD2 3.77Å; F91-F109 AromaticContact CG-CE1 3.59Å; F91-F109 HydrophobicContact CG-CE1 3.59Å; F91-F109 AromaticContact CG-CE2 3.63Å; F91-F109 HydrophobicContact CG-CE2 3.63Å; F91-F109 AromaticContact CG-CG 3.8Å; F91-F109 HydrophobicContact CG-CG 3.8Å; F91-F109 AromaticContact CG-CZ 3.53Å; F91-F109 HydrophobicContact CG-CZ 3.53Å; F91-F109 HydrophobicContact CZ-CE1 4.05Å; F91-F109 AromaticContact CZ-CZ 3.98Å; F91-F109 HydrophobicContact CZ-CZ 3.98Å; F91-C114 HydrophobicContact CB-CB 4.35Å; F91-C114 WeakPolarHBondContact CB-O 3.24Å; F91-C114 VanDerWaalsContact CD2-O 3.28Å; F91-C114 WeakPolarHBondContact CD2-O 3.01Å; F91-C114 PolarHBondContact N-O 3.42Å; F91-C114 VanDerWaalsContact O-CB 3.24Å; F91-C114 WeakPolarHBondContact O-CB 3Å |
| 92 | G | 92.6 | Very high | 90.5 | Very high | 20 Ų | 20 | 71.5 Ų | 71.5 | 21% | 0.206 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.1 | 178.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | C89 D104 | C89-G92 WeakPolarHBondContact CB-O 3.48Å; G92-D104 CarbonylContact C-O 3.59Å; G92-D104 WeakPolarHBondContact CA-O 3.4Å |
| 93 | T | 93.7 | Very high | 90.7 | Very high | 98 Ų | 98 | 68.5 Ų | 68.5 | 60% | 0.601 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 132.5 | 178.1 | -58 | 0 | 0 | 0 | 0 | 110.5 | C103 D104 | T93-C103 CarbonylContact O-C 3.48Å; T93-C103 WeakPolarHBondContact O-CA 3.47Å; T93-D104 PolarHBondContact N-O 3.31Å; T93-D104 PolarHBondContact O-N 2.94Å |
| 94 | C | 94.7 | Very high | 90.8 | Very high | 36 Ų | 36 | 71 Ų | 71 | 24% | 0.243 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 131.5 | 176.7 | -166.9 | 0 | 0 | 0 | 0 | 112 | C84 C89 | C84-C94 WeakPolarHBondContact CA-SG 3.32Å; C84-C94 HydrophobicContact CB-CB 3.66Å; C84-C94 WeakPolarHBondContact CB-SG 3.48Å; C84-C94 WeakPolarHBondContact SG-CB 3.48Å; C84-C94 CovalentContact SG-SG 2.03Å; C84-C94 PolarHBondContact SG-SG 3.46Å; C89-C94 HydrophobicContact CB-CB 4.49Å; C89-C94 WeakPolarHBondContact SG-CA 3.18Å; C89-C94 WeakPolarHBondContact SG-CB 3.02Å |
| 95 | R | 93.3 | Very high | 90.6 | Very high | 143 Ų | 143 | 71 Ų | 71 | 54% | 0.54 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 126.8 | 172.2 | -67 | -178 | 71.7 | 168.2 | 8.5 | 110.8 | L97 Y101 R102 D104 | R95-L97 PolarHBondContact O-N 3.09Å; R95-Y101 CarbonylContact O-C 3.49Å; R95-Y101 VanDerWaalsContact O-CA 3.26Å; R95-Y101 WeakPolarHBondContact O-CA 3.35Å; R95-R102 PolarHBondContact N-O 2.91Å; R95-R102 PolarHBondContact O-N 3.04Å; R95-D104 WeakPolarHBondContact CD-OD2 3.38Å; R95-D104 IonicContact CZ-OD2 3.92Å; R95-D104 IonicContact NE-OD2 2.84Å; R95-D104 IonicContact NH1-OD2 3.17Å; R95-D104 PolarHBondContact NH1-OD2 2.88Å |
| 96 | N | 90.3 | Very high | 90.4 | Very high | 66 Ų | 66 | 68.8 Ų | 68.8 | 35% | 0.353 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 125.8 | 171.3 | -73 | -46.1 | 0 | 0 | 0 | 109.7 | G73 C84 | G73-N96 VanDerWaalsContact CA-CB 3.41Å; G73-N96 WeakPolarHBondContact CA-OD1 3.3Å; C84-N96 WeakPolarHBondContact CB-OD1 3.38Å; C84-N96 PolarHBondContact N-OD1 3.26Å; C84-N96 PolarHBondContact SG-OD1 3.28Å |
| 97 | L | 87.3 | Confident | 90 | Very high | 65 Ų | 65 | 69.4 Ų | 69.4 | 34% | 0.34 | 38% | 0.376 | S | S | . | . | trans | -109.8 | 168.2 | 170.8 | -63.9 | 179.1 | 0 | 0 | 0 | 109.6 | R75 R95 G100 R102 | R75-L97 PolarHBondContact NH2-O 2.77Å; R95-L97 PolarHBondContact O-N 3.09Å; L97-G100 PolarHBondContact N-O 3.45Å; L97-R102 HydrophobicContact CD1-CB 3.78Å; L97-R102 HydrophobicContact CG-CB 4.31Å | ||
| 98 | P | 80.1 | Confident | 89.5 | Confident | 99 Ų | 99 | 67.9 Ų | 67.9 | 64% | 0.643 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -59.7 | -46 | 171.4 | -27.1 | 36.1 | 0 | 0 | 0 | 112.7 | R75 | R75-P98 PolarHBondContact NE-O 3.31Å; R75-P98 VanDerWaalsContact NH2-C 3.28Å; R75-P98 PolarHBondContact NH2-O 3.45Å |
| 99 | N | 80.6 | Confident | 89.2 | Confident | 157 Ų | 157 | 68.9 Ų | 68.9 | 84% | 0.84 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -108.2 | 4.4 | -174.5 | -65.1 | -12.5 | 0 | 0 | 0 | 114.9 | ||
| 100 | G | 85.9 | Confident | 88.8 | Confident | 17 Ų | 17 | 72 Ų | 72 | 18% | 0.175 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -167.7 | -151.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R75 L97 | R75-G100 PolarHBondContact NH1-O 3.33Å; R75-G100 VanDerWaalsContact NH2-CA 3.33Å; R75-G100 PolarHBondContact NH2-O 3.19Å; L97-G100 PolarHBondContact N-O 3.45Å |
| 101 | Y | 91.6 | Very high | 88.5 | Confident | 56 Ų | 56 | 70.1 Ų | 70.1 | 22% | 0.22 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 161.9 | 159.8 | 66.5 | -85.6 | 0 | 0 | 0 | 107.8 | L88 R95 Q112 | L88-Y101 HydrophobicContact CD1-CE1 4.31Å; L88-Y101 HydrophobicContact CD1-CE2 4.07Å; L88-Y101 HydrophobicContact CD2-CD1 3.7Å; L88-Y101 HydrophobicContact CD2-CD2 3.42Å; L88-Y101 VanDerWaalsContact CD2-CD2 3.42Å; L88-Y101 HydrophobicContact CD2-CE1 3.76Å; L88-Y101 HydrophobicContact CD2-CE2 3.48Å; L88-Y101 VanDerWaalsContact CD2-CE2 3.48Å; L88-Y101 HydrophobicContact CD2-CG 3.53Å; L88-Y101 HydrophobicContact CG-CD2 4.07Å; L88-Y101 HydrophobicContact CG-CE1 4.46Å; L88-Y101 HydrophobicContact CG-CE2 3.69Å; R95-Y101 CarbonylContact O-C 3.49Å; R95-Y101 VanDerWaalsContact O-CA 3.26Å; R95-Y101 WeakPolarHBondContact O-CA 3.35Å; Y101-Q112 HydrophobicContact CE2-CG 4.13Å; Y101-Q112 PolarHBondContact OH-NE2 3.47Å; Y101-Q112 VanDerWaalsContact OH-NE2 3.09Å |
| 102 | R | 92.8 | Very high | 88.5 | Confident | 136 Ų | 136 | 72.6 Ų | 72.6 | 51% | 0.513 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 133.2 | 166.5 | 172.4 | 172.5 | -67.8 | -81.5 | -0.2 | 108.2 | R95 L97 | R95-R102 PolarHBondContact N-O 2.91Å; R95-R102 PolarHBondContact O-N 3.04Å; L97-R102 HydrophobicContact CD1-CB 3.78Å; L97-R102 HydrophobicContact CG-CB 4.31Å |
| 103 | C | 93.6 | Very high | 88.5 | Confident | 5 Ų | 5 | 77 Ų | 77 | 3% | 0.034 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 125.4 | 171 | -64.7 | 0 | 0 | 0 | 0 | 109.4 | C89 T93 Q112 C114 H136 | C89-C103 VanDerWaalsContact CA-SG 3.53Å; C89-C103 HydrophobicContact CB-CB 3.71Å; C89-C103 WeakPolarHBondContact CB-SG 3.44Å; C89-C103 WeakPolarHBondContact SG-CA 3.22Å; C89-C103 WeakPolarHBondContact SG-CB 3Å; C89-C103 CovalentContact SG-SG 2.01Å; C89-C103 PolarHBondContact SG-SG 3.5Å; T93-C103 CarbonylContact O-C 3.48Å; T93-C103 WeakPolarHBondContact O-CA 3.47Å; C103-Q112 PolarHBondContact SG-O 2.73Å; C103-C114 WeakPolarHBondContact CB-SG 3.29Å; C103-H136 PolarHBondContact O-CE1 3.38Å |
| 104 | D | 92.3 | Very high | 88.4 | Confident | 60 Ų | 60 | 72.3 Ų | 72.3 | 32% | 0.321 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 100.5 | 166.9 | -70.5 | -0.6 | 0 | 0 | 0 | 106.7 | G92 T93 R95 | G92-D104 CarbonylContact C-O 3.59Å; G92-D104 WeakPolarHBondContact CA-O 3.4Å; T93-D104 PolarHBondContact N-O 3.31Å; T93-D104 PolarHBondContact O-N 2.94Å; R95-D104 WeakPolarHBondContact CD-OD2 3.38Å; R95-D104 IonicContact CZ-OD2 3.92Å; R95-D104 IonicContact NE-OD2 2.84Å; R95-D104 IonicContact NH1-OD2 3.17Å; R95-D104 PolarHBondContact NH1-OD2 2.88Å |
| 105 | C | 89.3 | Confident | 88.2 | Confident | 23 Ų | 23 | 75.2 Ų | 75.2 | 16% | 0.155 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 141.7 | -174.4 | -55 | 0 | 0 | 0 | 0 | 112.3 | F91 F109 C114 H136 | F91-C105 WeakPolarHBondContact O-CA 3.38Å; C105-F109 HydrophobicContact CB-CB 4.29Å; C105-F109 WeakPolarHBondContact CB-O 3.2Å; C105-C114 WeakPolarHBondContact CA-SG 3.05Å; C105-C114 HydrophobicContact CB-CB 3.66Å; C105-C114 WeakPolarHBondContact CB-SG 3.36Å; C105-C114 WeakPolarHBondContact SG-CA 3.02Å; C105-C114 WeakPolarHBondContact SG-CB 3.4Å; C105-C114 CovalentContact SG-SG 2.03Å; C105-C114 PolarHBondContact SG-SG 3.24Å; C105-H136 PolarHBondContact SG-CE1 2.77Å |
| 106 | T | 87.7 | Confident | 88 | Confident | 84 Ų | 84 | 73.7 Ų | 73.7 | 52% | 0.515 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 152.2 | 165.5 | -55 | 0 | 0 | 0 | 0 | 109.3 | F91 G108 F109 | F91-T106 PolarHBondContact O-N 3.28Å; F91-T106 PolarHBondContact O-OG1 2.86Å; T106-G108 PolarHBondContact O-N 3.49Å; T106-F109 PolarHBondContact O-N 2.94Å; T106-F109 VanDerWaalsContact O-N 3.11Å |
| 107 | F | 80.9 | Confident | 87.6 | Confident | 144 Ų | 144 | 76.3 Ų | 76.3 | 63% | 0.632 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.3 | 136.4 | 175.8 | 176.3 | -89.8 | 0 | 0 | 0 | 111.7 | F109 | F107-F109 VanDerWaalsContact C-N 3.33Š|
| 108 | G | 78.6 | Confident | 87.2 | Confident | 23 Ų | 23 | 74 Ų | 74 | 24% | 0.237 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 2.8 | -180 | 0 | 0 | 0 | 0 | 0 | 114.6 | T106 E117 A118 | T106-G108 PolarHBondContact O-N 3.49Å; G108-E117 CarbonylContact O-C 3.53Å; G108-E117 VanDerWaalsContact O-CA 3.3Å; G108-E117 WeakPolarHBondContact O-CA 3.24Å; G108-A118 PolarHBondContact O-N 3.4Å |
| 109 | F | 86.2 | Confident | 86.9 | Confident | 42 Ų | 42 | 75.9 Ų | 75.9 | 18% | 0.184 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 150.5 | 175 | -63.2 | -84.5 | 0 | 0 | 0 | 112.8 | F91 C105 T106 F107 C114 E116 E117 | F91-F109 HydrophobicContact CB-CB 3.91Å; F91-F109 HydrophobicContact CB-CD1 3.82Å; F91-F109 HydrophobicContact CB-CD2 3.38Å; F91-F109 HydrophobicContact CB-CE1 4.17Å; F91-F109 HydrophobicContact CB-CE2 3.76Å; F91-F109 HydrophobicContact CB-CG 3.4Å; F91-F109 HydrophobicContact CB-CZ 4.13Å; F91-F109 HydrophobicContact CD1-CD2 4.37Å; F91-F109 HydrophobicContact CD1-CE1 4.23Å; F91-F109 AromaticContact CD1-CE2 3.84Å; F91-F109 HydrophobicContact CD1-CE2 3.84Å; F91-F109 AromaticContact CD1-CZ 3.76Å; F91-F109 HydrophobicContact CD1-CZ 3.76Å; F91-F109 AromaticContact CD2-CD1 3.29Å; F91-F109 HydrophobicContact CD2-CD1 3.29Å; F91-F109 HydrophobicContact CD2-CD2 4.24Å; F91-F109 AromaticContact CD2-CE1 3.12Å; F91-F109 HydrophobicContact CD2-CE1 3.12Å; F91-F109 HydrophobicContact CD2-CE2 4.09Å; F91-F109 AromaticContact CD2-CG 3.86Å; F91-F109 HydrophobicContact CD2-CG 3.86Å; F91-F109 AromaticContact CD2-CZ 3.55Å; F91-F109 HydrophobicContact CD2-CZ 3.55Å; F91-F109 HydrophobicContact CE1-CE1 4.43Å; F91-F109 HydrophobicContact CE1-CE2 4.45Å; F91-F109 AromaticContact CE1-CZ 3.97Å; F91-F109 HydrophobicContact CE1-CZ 3.97Å; F91-F109 HydrophobicContact CE2-CD1 4.01Å; F91-F109 AromaticContact CE2-CE1 3.39Å; F91-F109 HydrophobicContact CE2-CE1 3.39Å; F91-F109 AromaticContact CE2-CZ 3.78Å; F91-F109 HydrophobicContact CE2-CZ 3.78Å; F91-F109 AromaticContact CG-CD1 3.72Å; F91-F109 HydrophobicContact CG-CD1 3.72Å; F91-F109 AromaticContact CG-CD2 3.77Å; F91-F109 HydrophobicContact CG-CD2 3.77Å; F91-F109 AromaticContact CG-CE1 3.59Å; F91-F109 HydrophobicContact CG-CE1 3.59Å; F91-F109 AromaticContact CG-CE2 3.63Å; F91-F109 HydrophobicContact CG-CE2 3.63Å; F91-F109 AromaticContact CG-CG 3.8Å; F91-F109 HydrophobicContact CG-CG 3.8Å; F91-F109 AromaticContact CG-CZ 3.53Å; F91-F109 HydrophobicContact CG-CZ 3.53Å; F91-F109 HydrophobicContact CZ-CE1 4.05Å; F91-F109 AromaticContact CZ-CZ 3.98Å; F91-F109 HydrophobicContact CZ-CZ 3.98Å; C105-F109 HydrophobicContact CB-CB 4.29Å; C105-F109 WeakPolarHBondContact CB-O 3.2Å; T106-F109 PolarHBondContact O-N 2.94Å; T106-F109 VanDerWaalsContact O-N 3.11Å; F107-F109 VanDerWaalsContact C-N 3.33Å; F109-C114 HydrophobicContact CB-CB 4.29Å; F109-E116 CarbonylContact C-O 3.59Å; F109-E116 WeakPolarHBondContact CA-O 3Å; F109-E117 HydrophobicContact CD1-CG 4.46Å; F109-E117 HydrophobicContact CE1-CG 4.11Å |
| 110 | K | 87 | Confident | 86.6 | Confident | 79 Ų | 79 | 68.5 Ų | 68.5 | 34% | 0.343 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 177 | 179.9 | 68.6 | 176.7 | -177.5 | 172.6 | 0 | 112.2 | C114 L115 E116 A118 | K110-C114 VanDerWaalsContact O-CA 3.27Å; K110-C114 WeakPolarHBondContact O-CA 3.25Å; K110-L115 PolarHBondContact O-N 2.98Å; K110-E116 WeakPolarHBondContact CE-OE2 3.22Å; K110-E116 HydrophobicContact CG-CB 3.75Å; K110-E116 PolarHBondContact N-O 2.96Å; K110-E116 PolarHBondContact O-N 2.88Å; K110-A118 HydrophobicContact CB-CB 4.19Å; K110-A118 HydrophobicContact CD-CB 4.4Å; K110-A118 HydrophobicContact CG-CB 4.31Å |
| 111 | G | 89 | Confident | 86.4 | Confident | 29 Ų | 29 | 69.2 Ų | 69.2 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 168.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R113 C114 | G111-R113 PolarHBondContact O-N 3.03Å; G111-C114 PolarHBondContact O-N 3.4Å |
| 112 | Q | 90.9 | Very high | 85.9 | Confident | 142 Ų | 142 | 73.7 Ų | 73.7 | 66% | 0.664 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23 | -172.5 | -170.5 | 179 | -7.8 | 0 | 0 | 113.6 | Y101 C103 | Y101-Q112 HydrophobicContact CE2-CG 4.13Å; Y101-Q112 PolarHBondContact OH-NE2 3.47Å; Y101-Q112 VanDerWaalsContact OH-NE2 3.09Å; C103-Q112 PolarHBondContact SG-O 2.73Å |
| 113 | R | 92.5 | Very high | 85.3 | Confident | 112 Ų | 112 | 73.7 Ų | 73.7 | 42% | 0.423 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 5.6 | 179 | -65.6 | -171.7 | 65.1 | 177.8 | -3.4 | 113.7 | G87 L88 V90 G111 L115 | G87-R113 PolarHBondContact O-NH2 3.08Å; L88-R113 HydrophobicContact CD1-CG 4.4Å; L88-R113 WeakPolarHBondContact O-CB 3.21Å; L88-R113 WeakPolarHBondContact O-CG 3.45Å; L88-R113 PolarHBondContact O-NE 2.8Å; V90-R113 PolarHBondContact N-O 3.19Å; G111-R113 PolarHBondContact O-N 3.03Å; R113-L115 VanDerWaalsContact C-N 3.32Å; R113-L115 HydrophobicContact CB-CD1 4.06Å; R113-L115 HydrophobicContact CB-CG 4.2Å; R113-L115 PolarHBondContact O-N 3.26Å |
| 114 | C | 92.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 49.9 | -175.2 | -48.8 | 0 | 0 | 0 | 0 | 112.2 | F91 C103 C105 F109 K110 G111 | F91-C114 HydrophobicContact CB-CB 4.35Å; F91-C114 WeakPolarHBondContact CB-O 3.24Å; F91-C114 VanDerWaalsContact CD2-O 3.28Å; F91-C114 WeakPolarHBondContact CD2-O 3.01Å; F91-C114 PolarHBondContact N-O 3.42Å; F91-C114 VanDerWaalsContact O-CB 3.24Å; F91-C114 WeakPolarHBondContact O-CB 3Å; C103-C114 WeakPolarHBondContact CB-SG 3.29Å; C105-C114 WeakPolarHBondContact CA-SG 3.05Å; C105-C114 HydrophobicContact CB-CB 3.66Å; C105-C114 WeakPolarHBondContact CB-SG 3.36Å; C105-C114 WeakPolarHBondContact SG-CA 3.02Å; C105-C114 WeakPolarHBondContact SG-CB 3.4Å; C105-C114 CovalentContact SG-SG 2.03Å; C105-C114 PolarHBondContact SG-SG 3.24Å; F109-C114 HydrophobicContact CB-CB 4.29Å; K110-C114 VanDerWaalsContact O-CA 3.27Å; K110-C114 WeakPolarHBondContact O-CA 3.25Å; G111-C114 PolarHBondContact O-N 3.4Å |
| 115 | L | 91.2 | Very high | 84.8 | Confident | 98 Ų | 98 | 76.2 Ų | 76.2 | 51% | 0.513 | 39% | 0.393 | S | S | . | . | trans | -106.9 | -23.6 | 179.6 | -84.1 | 172.5 | 0 | 0 | 0 | 112.2 | V90 K110 R113 | V90-L115 HydrophobicContact CB-CD2 3.69Å; V90-L115 HydrophobicContact CB-CG 4.22Å; V90-L115 HydrophobicContact CG1-CD2 3.93Å; V90-L115 HydrophobicContact CG2-CD1 4.46Å; V90-L115 HydrophobicContact CG2-CD2 3.53Å; V90-L115 HydrophobicContact CG2-CG 3.92Å; K110-L115 PolarHBondContact O-N 2.98Å; R113-L115 VanDerWaalsContact C-N 3.32Å; R113-L115 HydrophobicContact CB-CD1 4.06Å; R113-L115 HydrophobicContact CB-CG 4.2Å; R113-L115 PolarHBondContact O-N 3.26Å | ||
| 116 | E | 87.6 | Confident | 85 | Confident | 110 Ų | 110 | 76 Ų | 76 | 51% | 0.514 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 138.7 | -179.3 | -65.2 | 168.7 | -134.2 | 0 | 0 | 109.4 | F109 K110 A118 | F109-E116 CarbonylContact C-O 3.59Å; F109-E116 WeakPolarHBondContact CA-O 3Å; K110-E116 WeakPolarHBondContact CE-OE2 3.22Å; K110-E116 HydrophobicContact CG-CB 3.75Å; K110-E116 PolarHBondContact N-O 2.96Å; K110-E116 PolarHBondContact O-N 2.88Å; E116-A118 PolarHBondContact O-N 2.75Å |
| 117 | E | 82.8 | Confident | 85.3 | Confident | 121 Ų | 121 | 76.8 Ų | 76.8 | 57% | 0.565 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 127.3 | 170.3 | -70.1 | 173.3 | 173.5 | 0 | 0 | 110.3 | G108 F109 K119 | G108-E117 CarbonylContact O-C 3.53Å; G108-E117 VanDerWaalsContact O-CA 3.3Å; G108-E117 WeakPolarHBondContact O-CA 3.24Å; F109-E117 HydrophobicContact CD1-CG 4.46Å; F109-E117 HydrophobicContact CE1-CG 4.11Å; E117-K119 PolarHBondContact O-N 3.08Å |
| 118 | A | 78.4 | Confident | 85.9 | Confident | 18 Ų | 18 | 73 Ų | 73 | 15% | 0.149 | 38% | 0.376 | C | S | . | . | trans | -76.2 | 88.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | G108 K110 E116 G120 | G108-A118 PolarHBondContact O-N 3.4Å; K110-A118 HydrophobicContact CB-CB 4.19Å; K110-A118 HydrophobicContact CD-CB 4.4Å; K110-A118 HydrophobicContact CG-CB 4.31Å; E116-A118 PolarHBondContact O-N 2.75Å; A118-G120 PolarHBondContact O-N 3.01Å | ||
| 119 | K | 73.1 | Confident | 86.6 | Confident | 138 Ų | 138 | 78.7 Ų | 78.7 | 60% | 0.6 | 40% | 0.401 | S | S | * | . | trans | -67.4 | 71.1 | 169.5 | -61.4 | -172.9 | -179.9 | -172.1 | 0 | 110.4 | E117 | E117-K119 PolarHBondContact O-N 3.08Š| ||
| 120 | G | 75 | Confident | 86.9 | Confident | 2 Ų | 2 | 77.2 Ų | 77.2 | 2% | 0.021 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -102.4 | -70.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | A118 P125 | A118-G120 PolarHBondContact O-N 3.01Å; G120-P125 WeakPolarHBondContact O-CD 3.01Å; G120-P125 WeakPolarHBondContact O-CG 3.16Å |
| 121 | C | 82.3 | Confident | 87.2 | Confident | 31 Ų | 31 | 78.1 Ų | 78.1 | 21% | 0.209 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -90.4 | -16.1 | -173.5 | -62.3 | 0 | 0 | 0 | 0 | 115 | L123 S124 C132 G134 | C121-L123 PolarHBondContact O-N 3.21Å; C121-S124 PolarHBondContact O-N 3.3Å; C121-C132 WeakPolarHBondContact CA-SG 3.47Å; C121-C132 HydrophobicContact CB-CB 3.67Å; C121-C132 WeakPolarHBondContact CB-SG 3.22Å; C121-C132 WeakPolarHBondContact SG-CB 3.37Å; C121-C132 PolarHBondContact SG-O 2.74Å; C121-C132 CovalentContact SG-SG 2.04Å; C121-C132 PolarHBondContact SG-SG 2.79Å; C121-G134 PolarHBondContact SG-N 2.78Å |
| 122 | E | 80.4 | Confident | 87.2 | Confident | 151 Ų | 151 | 78.4 Ų | 78.4 | 71% | 0.706 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -32.3 | 179.2 | -167.2 | 178 | -168.6 | 0 | 0 | 112.2 | S124 | E122-S124 PolarHBondContact O-N 3.18Š|
| 123 | L | 80.9 | Confident | 87 | Confident | 135 Ų | 135 | 74.1 Ų | 74.1 | 71% | 0.707 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 6.3 | 176.3 | -64.2 | 176.6 | 0 | 0 | 0 | 113.7 | C121 | C121-L123 PolarHBondContact O-N 3.21Š|
| 124 | S | 84.7 | Confident | 86.3 | Confident | 96 Ų | 96 | 69.8 Ų | 69.8 | 67% | 0.671 | 38% | 0.375 | S | S | * | . | trans | 45.1 | 58.8 | -176.1 | -60 | 0 | 0 | 0 | 0 | 113 | C121 E122 C126 | C121-S124 PolarHBondContact O-N 3.3Å; E122-S124 PolarHBondContact O-N 3.18Å; S124-C126 PolarHBondContact O-N 3.41Å | ||
| 125 | P | 89.5 | Confident | 85.6 | Confident | 22 Ų | 22 | 73.5 Ų | 73.5 | 14% | 0.143 | 40% | 0.395 | C | S | . | . | trans | -74.8 | -10.4 | -169.9 | 33.8 | -40.7 | 0 | 0 | 0 | 114.4 | G120 Y139 K151 | G120-P125 WeakPolarHBondContact O-CD 3.01Å; G120-P125 WeakPolarHBondContact O-CG 3.16Å; P125-Y139 HydrophobicContact CB-CD1 4.46Å; P125-Y139 HydrophobicContact CB-CD2 4.09Å; P125-Y139 HydrophobicContact CB-CE1 3.83Å; P125-Y139 HydrophobicContact CB-CE2 3.42Å; P125-Y139 VanDerWaalsContact CB-CE2 3.42Å; P125-Y139 WeakPolarHBondContact CB-OH 3.3Å; P125-Y139 HydrophobicContact CG-CD1 3.97Å; P125-Y139 HydrophobicContact CG-CD2 3.35Å; P125-Y139 HydrophobicContact CG-CE1 3.85Å; P125-Y139 HydrophobicContact CG-CE2 3.22Å; P125-Y139 HydrophobicContact CG-CG 3.75Å; P125-Y139 VanDerWaalsContact CG-CZ 3.5Å; P125-K151 WeakPolarHBondContact O-CB 3.24Å | ||
| 126 | C | 93.4 | Very high | 84.6 | Confident | 19 Ų | 19 | 72.5 Ų | 72.5 | 13% | 0.128 | 39% | 0.387 | C | S | . | . | trans | -89.1 | 127.8 | -179.5 | -53.6 | 0 | 0 | 0 | 0 | 109.8 | S124 G130 C132 C141 | S124-C126 PolarHBondContact O-N 3.41Å; C126-G130 VanDerWaalsContact CB-O 3.24Å; C126-G130 WeakPolarHBondContact CB-O 3.5Å; C126-C132 VanDerWaalsContact SG-CA 3.56Å; C126-C132 VanDerWaalsContact SG-CB 3.54Å; C126-C141 WeakPolarHBondContact CA-SG 3.47Å; C126-C141 HydrophobicContact CB-CB 3.77Å; C126-C141 WeakPolarHBondContact CB-SG 3.47Å; C126-C141 VanDerWaalsContact SG-CA 3.5Å; C126-C141 WeakPolarHBondContact SG-CB 3.26Å; C126-C141 CovalentContact SG-SG 2.02Å; C126-C141 PolarHBondContact SG-SG 3.29Å | ||
| 127 | Q | 94.2 | Very high | 83.9 | Confident | 100 Ų | 100 | 73.8 Ų | 73.8 | 47% | 0.467 | 40% | 0.398 | S | S | . | . | trans | -89.6 | 168.4 | 176.9 | -59.4 | -174.5 | 14.9 | 0 | 0 | 110.8 | D129 G130 K151 C152 | Q127-D129 VanDerWaalsContact C-N 3.28Å; Q127-D129 PolarHBondContact O-N 2.04Å; Q127-G130 PolarHBondContact O-N 3.44Å; Q127-K151 PolarHBondContact N-O 3.23Å; Q127-C152 WeakPolarHBondContact O-CB 3.33Å | ||
| 128 | N | 94.3 | Very high | 83.7 | Confident | 66 Ų | 66 | 69 Ų | 69 | 35% | 0.353 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 44.5 | 174.5 | -56.5 | -52.8 | 0 | 0 | 0 | 113.1 | G130 F147 C152 | N128-G130 PolarHBondContact O-N 2.84Å; N128-G130 VanDerWaalsContact O-N 3.14Å; N128-F147 HydrophobicContact CB-CD1 3.54Å; N128-F147 HydrophobicContact CB-CD2 3.98Å; N128-F147 HydrophobicContact CB-CE1 3.43Å; N128-F147 VanDerWaalsContact CB-CE1 3.43Å; N128-F147 HydrophobicContact CB-CE2 3.89Å; N128-F147 HydrophobicContact CB-CG 3.81Å; N128-F147 HydrophobicContact CB-CZ 3.62Å; N128-F147 VanDerWaalsContact CG-CD1 3.47Å; N128-F147 VanDerWaalsContact ND2-CD1 3.25Å; N128-F147 WeakPolarHBondContact ND2-CD1 3.06Å; N128-F147 VanDerWaalsContact ND2-CE1 3.3Å; N128-F147 WeakPolarHBondContact ND2-CE1 2.98Å; N128-C152 PolarHBondContact ND2-O 3.08Å |
| 129 | D | 93 | Very high | 84 | Confident | 141 Ų | 141 | 71.7 Ų | 71.7 | 75% | 0.754 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 26.7 | -179.2 | -55.6 | -47.9 | 0 | 0 | 0 | 114.5 | Q127 L144 | Q127-D129 VanDerWaalsContact C-N 3.28Å; Q127-D129 PolarHBondContact O-N 2.04Å; D129-L144 HydrophobicContact CB-CD1 3.77Å |
| 130 | G | 93.6 | Very high | 84.8 | Confident | 12 Ų | 12 | 71.7 Ų | 71.7 | 12% | 0.124 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 138.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | C126 Q127 N128 C132 E142 | C126-G130 VanDerWaalsContact CB-O 3.24Å; C126-G130 WeakPolarHBondContact CB-O 3.5Å; Q127-G130 PolarHBondContact O-N 3.44Å; N128-G130 PolarHBondContact O-N 2.84Å; N128-G130 VanDerWaalsContact O-N 3.14Å; G130-C132 PolarHBondContact O-N 3.14Å; G130-E142 CarbonylContact C-O 3.58Å; G130-E142 WeakPolarHBondContact CA-O 3.41Å |
| 131 | I | 92.8 | Very high | 85.6 | Confident | 98 Ų | 98 | 72 Ų | 72 | 50% | 0.503 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 119.7 | 179.8 | -59 | 171.2 | 0 | 0 | 0 | 108.7 | C141 E142 | I131-C141 CarbonylContact O-C 3.6Å; I131-C141 WeakPolarHBondContact O-CA 2.9Å; I131-E142 HydrophobicContact CB-CB 4.24Å; I131-E142 PolarHBondContact N-O 3Å; I131-E142 PolarHBondContact O-N 3.42Å |
| 132 | C | 89.4 | Confident | 86.2 | Confident | 35 Ų | 35 | 74.8 Ų | 74.8 | 24% | 0.236 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 123.2 | 176.3 | -171.2 | 0 | 0 | 0 | 0 | 111.5 | C121 C126 G130 | C121-C132 WeakPolarHBondContact CA-SG 3.47Å; C121-C132 HydrophobicContact CB-CB 3.67Å; C121-C132 WeakPolarHBondContact CB-SG 3.22Å; C121-C132 WeakPolarHBondContact SG-CB 3.37Å; C121-C132 PolarHBondContact SG-O 2.74Å; C121-C132 CovalentContact SG-SG 2.04Å; C121-C132 PolarHBondContact SG-SG 2.79Å; C126-C132 VanDerWaalsContact SG-CA 3.56Å; C126-C132 VanDerWaalsContact SG-CB 3.54Å; G130-C132 PolarHBondContact O-N 3.14Å |
| 133 | V | 85.9 | Confident | 86.9 | Confident | 52 Ų | 52 | 69.8 Ų | 69.8 | 32% | 0.315 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 113.8 | 174.3 | -174.7 | 0 | 0 | 0 | 0 | 108.4 | Y139 R140 E142 | V133-Y139 CarbonylContact O-C 3.45Å; V133-Y139 VanDerWaalsContact O-CA 3.24Å; V133-Y139 WeakPolarHBondContact O-CA 3.27Å; V133-R140 PolarHBondContact N-O 2.95Å; V133-R140 PolarHBondContact O-N 2.95Å; V133-E142 HydrophobicContact CG2-CG 4.03Å |
| 134 | G | 77.6 | Confident | 87.5 | Confident | 20 Ų | 20 | 67.3 Ų | 67.3 | 21% | 0.206 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 139.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | C121 | C121-G134 PolarHBondContact SG-N 2.78Å |
| 135 | L | 77.2 | Confident | 87.8 | Confident | 78 Ų | 78 | 69.9 Ų | 69.9 | 41% | 0.408 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 166.2 | -179.7 | -64.2 | 176.5 | 0 | 0 | 0 | 110.4 | D137 G138 R140 | L135-D137 PolarHBondContact O-N 3.04Å; L135-D137 VanDerWaalsContact O-N 3.15Å; L135-G138 PolarHBondContact N-O 3.14Å; L135-G138 PolarHBondContact O-N 3.26Å; L135-R140 HydrophobicContact CD1-CB 3.73Å; L135-R140 HydrophobicContact CG-CB 4.36Å |
| 136 | H | 71.2 | Confident | 87.9 | Confident | 77 Ų | 77 | 70.1 Ų | 70.1 | 36% | 0.356 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -30.6 | 178.7 | -178.5 | 63.7 | 0 | 0 | 0 | 113.3 | C103 C105 | C103-H136 PolarHBondContact O-CE1 3.38Å; C105-H136 PolarHBondContact SG-CE1 2.77Å |
| 137 | D | 71.5 | Confident | 87.9 | Confident | 138 Ų | 138 | 72 Ų | 72 | 74% | 0.738 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.5 | 22.9 | -178.1 | 62.7 | -22.3 | 0 | 0 | 0 | 113.3 | L135 | L135-D137 PolarHBondContact O-N 3.04Å; L135-D137 VanDerWaalsContact O-N 3.15Å |
| 138 | G | 78.8 | Confident | 87.8 | Confident | 21 Ų | 21 | 69 Ų | 69 | 22% | 0.216 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.3 | -127 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | L135 | L135-G138 PolarHBondContact N-O 3.14Å; L135-G138 PolarHBondContact O-N 3.26Å |
| 139 | Y | 84.7 | Confident | 87.6 | Confident | 73 Ų | 73 | 67.3 Ų | 67.3 | 29% | 0.286 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 161.2 | 178.4 | 70.4 | -85.3 | 0 | 0 | 0 | 111.1 | P125 V133 K151 | P125-Y139 HydrophobicContact CB-CD1 4.46Å; P125-Y139 HydrophobicContact CB-CD2 4.09Å; P125-Y139 HydrophobicContact CB-CE1 3.83Å; P125-Y139 HydrophobicContact CB-CE2 3.42Å; P125-Y139 VanDerWaalsContact CB-CE2 3.42Å; P125-Y139 WeakPolarHBondContact CB-OH 3.3Å; P125-Y139 HydrophobicContact CG-CD1 3.97Å; P125-Y139 HydrophobicContact CG-CD2 3.35Å; P125-Y139 HydrophobicContact CG-CE1 3.85Å; P125-Y139 HydrophobicContact CG-CE2 3.22Å; P125-Y139 HydrophobicContact CG-CG 3.75Å; P125-Y139 VanDerWaalsContact CG-CZ 3.5Å; V133-Y139 CarbonylContact O-C 3.45Å; V133-Y139 VanDerWaalsContact O-CA 3.24Å; V133-Y139 WeakPolarHBondContact O-CA 3.27Å; Y139-K151 WeakPolarHBondContact OH-CE 2.86Å |
| 140 | R | 90.1 | Very high | 87.6 | Confident | 138 Ų | 138 | 64.5 Ų | 64.5 | 52% | 0.521 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 142.2 | 168.8 | 169.5 | 176.8 | -176.5 | -90 | -6.2 | 109 | V133 L135 E142 | V133-R140 PolarHBondContact N-O 2.95Å; V133-R140 PolarHBondContact O-N 2.95Å; L135-R140 HydrophobicContact CD1-CB 3.73Å; L135-R140 HydrophobicContact CG-CB 4.36Å; R140-E142 IonicContact NH1-OE1 3.6Å |
| 141 | C | 92.9 | Very high | 87.6 | Confident | 8 Ų | 8 | 68.3 Ų | 68.3 | 5% | 0.054 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 133.8 | 173.1 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | C126 I131 C152 | C126-C141 WeakPolarHBondContact CA-SG 3.47Å; C126-C141 HydrophobicContact CB-CB 3.77Å; C126-C141 WeakPolarHBondContact CB-SG 3.47Å; C126-C141 VanDerWaalsContact SG-CA 3.5Å; C126-C141 WeakPolarHBondContact SG-CB 3.26Å; C126-C141 CovalentContact SG-SG 2.02Å; C126-C141 PolarHBondContact SG-SG 3.29Å; I131-C141 CarbonylContact O-C 3.6Å; I131-C141 WeakPolarHBondContact O-CA 2.9Å; C141-C152 WeakPolarHBondContact CB-SG 3.44Å |
| 142 | E | 94.6 | Very high | 87.7 | Confident | 91 Ų | 91 | 63.7 Ų | 63.7 | 43% | 0.425 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 112.8 | 163.1 | -66 | -172.3 | 167.2 | 0 | 0 | 108.8 | G130 I131 V133 R140 | G130-E142 CarbonylContact C-O 3.58Å; G130-E142 WeakPolarHBondContact CA-O 3.41Å; I131-E142 HydrophobicContact CB-CB 4.24Å; I131-E142 PolarHBondContact N-O 3Å; I131-E142 PolarHBondContact O-N 3.42Å; V133-E142 HydrophobicContact CG2-CG 4.03Å; R140-E142 IonicContact NH1-OE1 3.6Å |
| 143 | C | 94.5 | Very high | 87.9 | Confident | 46 Ų | 46 | 65.6 Ų | 65.6 | 31% | 0.311 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -82.1 | 136.4 | -175.5 | -51.2 | 0 | 0 | 0 | 0 | 111.1 | F147 C152 | C143-F147 HydrophobicContact CB-CB 4.17Å; C143-F147 WeakPolarHBondContact CB-O 3.16Å; C143-C152 WeakPolarHBondContact CA-SG 2.94Å; C143-C152 HydrophobicContact CB-CB 3.71Å; C143-C152 WeakPolarHBondContact CB-SG 3Å; C143-C152 PolarHBondContact N-SG 2.99Å; C143-C152 VanDerWaalsContact N-SG 3.44Å; C143-C152 WeakPolarHBondContact SG-CA 3.41Å; C143-C152 WeakPolarHBondContact SG-CB 3.28Å; C143-C152 CovalentContact SG-SG 2.04Å; C143-C152 PolarHBondContact SG-SG 3.34Å |
| 144 | L | 93.3 | Very high | 88.2 | Confident | 82 Ų | 82 | 67.7 Ų | 67.7 | 43% | 0.429 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 157.6 | 167.7 | -66.9 | 176.3 | 0 | 0 | 0 | 110.5 | D129 G146 F147 | D129-L144 HydrophobicContact CB-CD1 3.77Å; L144-G146 PolarHBondContact O-N 2.91Å; L144-F147 PolarHBondContact O-N 2.82Å; L144-F147 VanDerWaalsContact O-N 3.08Å |
| 145 | T | 91 | Very high | 88.7 | Confident | 150 Ų | 150 | 72 Ų | 72 | 92% | 0.92 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 131.1 | 176.7 | -55.7 | 0 | 0 | 0 | 0 | 110.4 | ||
| 146 | G | 91.2 | Very high | 89.1 | Confident | 28 Ų | 28 | 73.6 Ų | 73.6 | 29% | 0.289 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | -1.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L144 L155 Y156 | L144-G146 PolarHBondContact O-N 2.91Å; G146-L155 CarbonylContact O-C 3.49Å; G146-Y156 VanDerWaalsContact C-CB 3.48Å; G146-Y156 WeakPolarHBondContact O-CB 3.41Å; G146-Y156 PolarHBondContact O-N 3.25Å |
| 147 | F | 93.9 | Very high | 89.6 | Confident | 58 Ų | 58 | 72.5 Ų | 72.5 | 25% | 0.254 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 155.7 | 175.3 | -62.5 | -84 | 0 | 0 | 0 | 112.9 | N128 C143 L144 C152 L154 L155 | N128-F147 HydrophobicContact CB-CD1 3.54Å; N128-F147 HydrophobicContact CB-CD2 3.98Å; N128-F147 HydrophobicContact CB-CE1 3.43Å; N128-F147 VanDerWaalsContact CB-CE1 3.43Å; N128-F147 HydrophobicContact CB-CE2 3.89Å; N128-F147 HydrophobicContact CB-CG 3.81Å; N128-F147 HydrophobicContact CB-CZ 3.62Å; N128-F147 VanDerWaalsContact CG-CD1 3.47Å; N128-F147 VanDerWaalsContact ND2-CD1 3.25Å; N128-F147 WeakPolarHBondContact ND2-CD1 3.06Å; N128-F147 VanDerWaalsContact ND2-CE1 3.3Å; N128-F147 WeakPolarHBondContact ND2-CE1 2.98Å; C143-F147 HydrophobicContact CB-CB 4.17Å; C143-F147 WeakPolarHBondContact CB-O 3.16Å; L144-F147 PolarHBondContact O-N 2.82Å; L144-F147 VanDerWaalsContact O-N 3.08Å; F147-C152 HydrophobicContact CB-CB 4.36Å; F147-L154 CarbonylContact C-O 3.56Å; F147-L154 WeakPolarHBondContact CA-O 3.29Å; F147-L155 HydrophobicContact CD1-CD2 3.89Å; F147-L155 HydrophobicContact CE1-CD2 3.35Å; F147-L155 HydrophobicContact CE1-CG 4.3Å; F147-L155 HydrophobicContact CZ-CD2 3.91Å |
| 148 | T | 91.8 | Very high | 89.7 | Confident | 37 Ų | 37 | 71 Ų | 71 | 23% | 0.227 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | -179.7 | 178.8 | -163.5 | 0 | 0 | 0 | 0 | 110.8 | C152 E153 L154 | T148-C152 CarbonylContact O-C 3.43Å; T148-C152 VanDerWaalsContact O-C 3.28Å; T148-C152 VanDerWaalsContact O-CA 3.27Å; T148-C152 WeakPolarHBondContact O-CA 3.46Å; T148-E153 PolarHBondContact O-N 2.02Å; T148-L154 HydrophobicContact CG2-CB 3.72Å; T148-L154 HydrophobicContact CG2-CD1 4.32Å; T148-L154 PolarHBondContact N-O 3.13Å; T148-L154 WeakPolarHBondContact O-CB 3.18Å; T148-L154 PolarHBondContact O-N 3.33Å |
| 149 | G | 91.3 | Very high | 89.3 | Confident | 30 Ų | 30 | 77.6 Ų | 77.6 | 31% | 0.309 | 42% | 0.417 | S | S | . | . | S | Bend | trans | 99.6 | 172.5 | -172 | 0 | 0 | 0 | 0 | 0 | 112.9 | K151 | G149-K151 VanDerWaalsContact C-N 3.31Š|
| 150 | A | 91.7 | Very high | 88.4 | Confident | 82 Ų | 82 | 76.8 Ų | 76.8 | 68% | 0.678 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -72.7 | -27.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E153 | A150-E153 PolarHBondContact N-OE2 3.41Š|
| 151 | K | 93.3 | Very high | 87.2 | Confident | 93 Ų | 93 | 71.2 Ų | 71.2 | 40% | 0.404 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -113.9 | 12.6 | 176.7 | -60.1 | -177.8 | -178.1 | -175.4 | 0 | 112 | P125 Q127 Y139 G149 E153 | P125-K151 WeakPolarHBondContact O-CB 3.24Å; Q127-K151 PolarHBondContact N-O 3.23Å; Y139-K151 WeakPolarHBondContact OH-CE 2.86Å; G149-K151 VanDerWaalsContact C-N 3.31Å; K151-E153 VanDerWaalsContact CA-OE2 3.22Å; K151-E153 WeakPolarHBondContact CA-OE2 3.3Å; K151-E153 WeakPolarHBondContact CB-OE2 3.3Å; K151-E153 PolarHBondContact N-OE2 3.44Å; K151-E153 PolarHBondContact O-N 3.25Å |
| 152 | C | 94.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 43% | 0.432 | C | S | . | . | S | Bend | trans | 61.7 | 25.6 | -174.5 | -49.6 | 0 | 0 | 0 | 0 | 114.3 | Q127 N128 C141 C143 F147 T148 | Q127-C152 WeakPolarHBondContact O-CB 3.33Å; N128-C152 PolarHBondContact ND2-O 3.08Å; C141-C152 WeakPolarHBondContact CB-SG 3.44Å; C143-C152 WeakPolarHBondContact CA-SG 2.94Å; C143-C152 HydrophobicContact CB-CB 3.71Å; C143-C152 WeakPolarHBondContact CB-SG 3Å; C143-C152 PolarHBondContact N-SG 2.99Å; C143-C152 VanDerWaalsContact N-SG 3.44Å; C143-C152 WeakPolarHBondContact SG-CA 3.41Å; C143-C152 WeakPolarHBondContact SG-CB 3.28Å; C143-C152 CovalentContact SG-SG 2.04Å; C143-C152 PolarHBondContact SG-SG 3.34Å; F147-C152 HydrophobicContact CB-CB 4.36Å; T148-C152 CarbonylContact O-C 3.43Å; T148-C152 VanDerWaalsContact O-C 3.28Å; T148-C152 VanDerWaalsContact O-CA 3.27Å; T148-C152 WeakPolarHBondContact O-CA 3.46Å |
| 153 | E | 94.2 | Very high | 84.4 | Confident | 76 Ų | 76 | 81.5 Ų | 81.5 | 36% | 0.355 | 45% | 0.452 | S | S | . | . | trans | -78.2 | -16.4 | -175.8 | 70.3 | -82.4 | -157.6 | 0 | 0 | 113.9 | T148 A150 K151 | T148-E153 PolarHBondContact O-N 2.02Å; A150-E153 PolarHBondContact N-OE2 3.41Å; K151-E153 VanDerWaalsContact CA-OE2 3.22Å; K151-E153 WeakPolarHBondContact CA-OE2 3.3Å; K151-E153 WeakPolarHBondContact CB-OE2 3.3Å; K151-E153 PolarHBondContact N-OE2 3.44Å; K151-E153 PolarHBondContact O-N 3.25Å | ||
| 154 | L | 91.7 | Very high | 82.9 | Confident | 95 Ų | 95 | 83.6 Ų | 83.6 | 50% | 0.497 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 138.1 | -177.2 | -55.3 | 177.7 | 0 | 0 | 0 | 110.4 | F147 T148 | F147-L154 CarbonylContact C-O 3.56Å; F147-L154 WeakPolarHBondContact CA-O 3.29Å; T148-L154 HydrophobicContact CG2-CB 3.72Å; T148-L154 HydrophobicContact CG2-CD1 4.32Å; T148-L154 PolarHBondContact N-O 3.13Å; T148-L154 WeakPolarHBondContact O-CB 3.18Å; T148-L154 PolarHBondContact O-N 3.33Å |
| 155 | L | 90 | Very high | 81.3 | Confident | 112 Ų | 112 | 82.2 Ų | 82.2 | 59% | 0.586 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 142.2 | 164.9 | -69.8 | 167 | 0 | 0 | 0 | 109.5 | G146 F147 M160 | G146-L155 CarbonylContact O-C 3.49Å; F147-L155 HydrophobicContact CD1-CD2 3.89Å; F147-L155 HydrophobicContact CE1-CD2 3.35Å; F147-L155 HydrophobicContact CE1-CG 4.3Å; F147-L155 HydrophobicContact CZ-CD2 3.91Å; L155-M160 WeakPolarHBondContact O-CE 3.35Å |
| 156 | Y | 85.5 | Confident | 79.7 | Confident | 110 Ų | 110 | 79 Ų | 79 | 43% | 0.431 | 45% | 0.448 | S | S | . | . | trans | -88.6 | 111.6 | 170.6 | -176.2 | -90.5 | 0 | 0 | 0 | 108.3 | G146 A161 | G146-Y156 VanDerWaalsContact C-CB 3.48Å; G146-Y156 WeakPolarHBondContact O-CB 3.41Å; G146-Y156 PolarHBondContact O-N 3.25Å; Y156-A161 HydrophobicContact CE2-CB 4.1Å; Y156-A161 WeakPolarHBondContact OH-CB 2.97Å | ||
| 157 | T | 81.1 | Confident | 77.9 | Confident | 54 Ų | 54 | 85.9 Ų | 85.9 | 33% | 0.331 | 47% | 0.471 | S | S | . | . | trans | -118.7 | 151.1 | 168.1 | 98.4 | 0 | 0 | 0 | 0 | 107.7 | E159 M160 | T157-E159 PolarHBondContact O-N 3.33Å; T157-E159 VanDerWaalsContact O-N 3.08Å; T157-M160 VanDerWaalsContact C-SD 3.54Å; T157-M160 VanDerWaalsContact CA-SD 3.5Å; T157-M160 VanDerWaalsContact CB-CE 3.43Å; T157-M160 WeakPolarHBondContact CB-SD 3.38Å; T157-M160 HydrophobicContact CG2-CE 3.16Å; T157-M160 HydrophobicContact CG2-SD 3.91Å; T157-M160 PolarHBondContact N-SD 2.79Å; T157-M160 WeakPolarHBondContact O-CG 3.45Å; T157-M160 PolarHBondContact O-N 3.38Å; T157-M160 VanDerWaalsContact O-N 3.15Å; T157-M160 VanDerWaalsContact OG1-CE 3.31Å; T157-M160 WeakPolarHBondContact OG1-CE 3.2Å; T157-M160 PolarHBondContact OG1-SD 2.79Å | ||
| 158 | P | 72.7 | Confident | 76 | Confident | 107 Ų | 107 | 85.5 Ų | 85.5 | 70% | 0.695 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -58.6 | -23.7 | -175.1 | 17.5 | -29.7 | 0 | 0 | 0 | 113.8 | ||
| 159 | E | 72.1 | Confident | 73.8 | Confident | 160 Ų | 160 | 93.6 Ų | 93.6 | 75% | 0.748 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -69.9 | -34.1 | 177.9 | -68.1 | -175.2 | 159.6 | 0 | 0 | 113.2 | T157 | T157-E159 PolarHBondContact O-N 3.33Å; T157-E159 VanDerWaalsContact O-N 3.08Å |
| 160 | M | 65.9 | Low | 71.5 | Confident | 56 Ų | 56 | 98.2 Ų | 98.2 | 28% | 0.276 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -81.9 | -23 | 178.3 | 43.6 | -78.3 | -129.8 | 0 | 0 | 113.7 | L155 T157 V162 K163 V164 | L155-M160 WeakPolarHBondContact O-CE 3.35Å; T157-M160 VanDerWaalsContact C-SD 3.54Å; T157-M160 VanDerWaalsContact CA-SD 3.5Å; T157-M160 VanDerWaalsContact CB-CE 3.43Å; T157-M160 WeakPolarHBondContact CB-SD 3.38Å; T157-M160 HydrophobicContact CG2-CE 3.16Å; T157-M160 HydrophobicContact CG2-SD 3.91Å; T157-M160 PolarHBondContact N-SD 2.79Å; T157-M160 WeakPolarHBondContact O-CG 3.45Å; T157-M160 PolarHBondContact O-N 3.38Å; T157-M160 VanDerWaalsContact O-N 3.15Å; T157-M160 VanDerWaalsContact OG1-CE 3.31Å; T157-M160 WeakPolarHBondContact OG1-CE 3.2Å; T157-M160 PolarHBondContact OG1-SD 2.79Å; M160-V162 PolarHBondContact O-N 2.83Å; M160-V162 VanDerWaalsContact O-N 3.12Å; M160-K163 PolarHBondContact O-N 3.27Å; M160-V164 PolarHBondContact O-N 3.49Å |
| 161 | A | 63 | Low | 69.1 | Low | 20 Ų | 20 | 101.9 Ų | 101.9 | 17% | 0.165 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -54.4 | -32.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y156 G165 | Y156-A161 HydrophobicContact CE2-CB 4.1Å; Y156-A161 WeakPolarHBondContact OH-CB 2.97Å; A161-G165 PolarHBondContact O-N 3.49Å |
| 162 | V | 67.3 | Low | 67.1 | Low | 123 Ų | 123 | 101 Ų | 101 | 75% | 0.745 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.2 | -41.3 | 174.6 | -174.4 | 0 | 0 | 0 | 0 | 112 | M160 | M160-V162 PolarHBondContact O-N 2.83Å; M160-V162 VanDerWaalsContact O-N 3.12Å |
| 163 | K | 61.3 | Low | 65.3 | Low | 192 Ų | 192 | 105.4 Ų | 105.4 | 84% | 0.835 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -76.6 | -35.7 | -178.5 | -71.8 | -177.7 | 179.9 | 174 | 0 | 113.3 | M160 G165 | M160-K163 PolarHBondContact O-N 3.27Å; K163-G165 VanDerWaalsContact C-N 3.27Å; K163-G165 PolarHBondContact O-N 2.04Å |
| 164 | V | 64.4 | Low | 63.5 | Low | 91 Ų | 91 | 109 Ų | 109 | 55% | 0.552 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -83.1 | -6.6 | -178 | -176.5 | 0 | 0 | 0 | 0 | 111.9 | M160 V166 | M160-V164 PolarHBondContact O-N 3.49Å; V164-V166 HydrophobicContact CB-CG2 4.28Å; V164-V166 HydrophobicContact CG1-CG2 3.97Å; V164-V166 PolarHBondContact O-N 3.29Å; V164-V166 VanDerWaalsContact O-N 3.16Å |
| 165 | G | 58.6 | Low | 61.9 | Low | 53 Ų | 53 | 107.5 Ų | 107.5 | 55% | 0.546 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 59.5 | 30.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A161 K163 K167 | A161-G165 PolarHBondContact O-N 3.49Å; K163-G165 VanDerWaalsContact C-N 3.27Å; K163-G165 PolarHBondContact O-N 2.04Å; G165-K167 PolarHBondContact O-N 2.75Å |
| 166 | V | 59 | Low | 61.1 | Low | 81 Ų | 81 | 108.4 Ų | 108.4 | 49% | 0.491 | 61% | 0.608 | S | S | . | * | trans | -65.3 | 96.9 | 168.3 | -175.1 | 0 | 0 | 0 | 0 | 105 | V164 G168 | V164-V166 HydrophobicContact CB-CG2 4.28Å; V164-V166 HydrophobicContact CG1-CG2 3.97Å; V164-V166 PolarHBondContact O-N 3.29Å; V164-V166 VanDerWaalsContact O-N 3.16Å; V166-G168 PolarHBondContact O-N 3.14Å | ||
| 167 | K | 53.1 | Low | 60.4 | Low | 174 Ų | 174 | 105 Ų | 105 | 76% | 0.757 | 61% | 0.606 | S | S | * | * | trans | -62.6 | 90.4 | 162.8 | -68.5 | -175.8 | -177.5 | -180 | 0 | 104.7 | G165 K169 | G165-K167 PolarHBondContact O-N 2.75Å; K167-K169 PolarHBondContact O-N 3.48Å | ||
| 168 | G | 53.6 | Low | 60.1 | Low | 49 Ų | 49 | 104 Ų | 104 | 51% | 0.505 | 61% | 0.607 | S | S | . | * | trans | -45.6 | 120.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 105.5 | V166 T170 | V166-G168 PolarHBondContact O-N 3.14Å; G168-T170 PolarHBondContact O-N 3.4Å | ||
| 169 | K | 46.2 | Very low | 60.4 | Low | 208 Ų | 208 | 104.1 Ų | 104.1 | 90% | 0.904 | 60% | 0.6 | S | S | * | * | trans | -70.3 | 67.5 | 169.7 | -71.6 | 179.5 | 179.6 | 175.6 | 0 | 106.8 | K167 L171 | K167-K169 PolarHBondContact O-N 3.48Å; K169-L171 VanDerWaalsContact C-N 3.27Å; K169-L171 PolarHBondContact O-N 3.49Å | ||
| 170 | T | 41.5 | Very low | 61 | Low | 126 Ų | 126 | 101.4 Ų | 101.4 | 77% | 0.773 | 59% | 0.59 | S | S | * | * | trans | -91.9 | 76.3 | 159.5 | 42.5 | 0 | 0 | 0 | 0 | 106.3 | G168 P172 | G168-T170 PolarHBondContact O-N 3.4Å; T170-P172 WeakPolarHBondContact O-CD 3.01Å | ||
| 171 | L | 42.5 | Very low | 61.9 | Low | 159 Ų | 159 | 104.6 Ų | 104.6 | 83% | 0.832 | 61% | 0.607 | S | S | * | * | trans | -109.6 | 85 | 157.5 | -92.5 | 151.6 | 0 | 0 | 0 | 107.3 | K169 | K169-L171 VanDerWaalsContact C-N 3.27Å; K169-L171 PolarHBondContact O-N 3.49Å | ||
| 172 | P | 50.1 | Low | 63 | Low | 76 Ų | 76 | 109.2 Ų | 109.2 | 49% | 0.494 | 63% | 0.628 | S | S | . | * | trans | -82.3 | 103.3 | 149 | 26.6 | -17.7 | 0 | 0 | 0 | 107 | T170 D174 S175 | T170-P172 WeakPolarHBondContact O-CD 3.01Å; P172-D174 PolarHBondContact O-N 3.45Å; P172-S175 PolarHBondContact O-N 3.31Å; P172-S175 PolarHBondContact O-OG 3.15Å | ||
| 173 | A | 57.1 | Low | 63.9 | Low | 91 Ų | 91 | 106.1 Ų | 106.1 | 75% | 0.752 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | 1.8 | 172 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 174 | D | 56 | Low | 65.2 | Low | 153 Ų | 153 | 102.3 Ų | 102.3 | 82% | 0.818 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 9.1 | 176.3 | -60.4 | -27.3 | 0 | 0 | 0 | 113.5 | P172 I176 | P172-D174 PolarHBondContact O-N 3.45Å; D174-I176 PolarHBondContact O-N 3.05Å |
| 175 | S | 59.5 | Low | 66.3 | Low | 63 Ų | 63 | 99.5 Ų | 99.5 | 44% | 0.441 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -75.7 | 125.4 | 175.9 | -60.8 | 0 | 0 | 0 | 0 | 110.3 | P172 G177 G178 | P172-S175 PolarHBondContact O-N 3.31Å; P172-S175 PolarHBondContact O-OG 3.15Å; S175-G177 PolarHBondContact O-N 3.13Å; S175-G178 PolarHBondContact O-N 3.17Å |
| 176 | I | 72.6 | Confident | 67.9 | Low | 131 Ų | 131 | 100.1 Ų | 100.1 | 67% | 0.672 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -34.8 | -33.3 | 174.6 | -64 | 161.6 | 0 | 0 | 0 | 113.8 | D174 G178 I179 L180 | D174-I176 PolarHBondContact O-N 3.05Å; I176-G178 PolarHBondContact O-N 2.74Å; I176-I179 PolarHBondContact O-N 3.44Å; I176-L180 HydrophobicContact CG2-CD1 4.17Å; I176-L180 HydrophobicContact CG2-CG 4.33Å; I176-L180 WeakPolarHBondContact O-CG 3.23Å; I176-L180 PolarHBondContact O-N 3.23Å |
| 177 | G | 71.8 | Confident | 69.4 | Low | 38 Ų | 38 | 101.6 Ų | 101.6 | 39% | 0.392 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -58 | -38.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | S175 L180 I181 | S175-G177 PolarHBondContact O-N 3.13Å; G177-L180 PolarHBondContact O-N 2.93Å; G177-I181 WeakPolarHBondContact O-CD1 2.88Å; G177-I181 VanDerWaalsContact O-CG1 3.26Å; G177-I181 WeakPolarHBondContact O-CG1 3.13Å; G177-I181 PolarHBondContact O-N 3.08Å |
| 178 | G | 73 | Confident | 71.1 | Confident | 34 Ų | 34 | 98.1 Ų | 98.1 | 35% | 0.351 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.4 | -41.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S175 I176 I181 I182 | S175-G178 PolarHBondContact O-N 3.17Å; I176-G178 PolarHBondContact O-N 2.74Å; G178-I181 PolarHBondContact O-N 3.07Å; G178-I182 WeakPolarHBondContact O-CG1 3.35Å; G178-I182 PolarHBondContact O-N 3.04Å |
| 179 | I | 80.6 | Confident | 72.6 | Confident | 109 Ų | 109 | 100.7 Ų | 100.7 | 56% | 0.559 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.5 | -42.4 | 176.7 | -59.5 | 173.6 | 0 | 0 | 0 | 110.5 | I176 I181 I182 S183 | I176-I179 PolarHBondContact O-N 3.44Å; I179-I181 VanDerWaalsContact C-N 3.35Å; I179-I181 PolarHBondContact O-N 3.1Å; I179-I182 PolarHBondContact O-N 3.47Å; I179-S183 WeakPolarHBondContact O-CB 3.29Å; I179-S183 PolarHBondContact O-N 2.03Å; I179-S183 PolarHBondContact O-OG 2.82Å |
| 180 | L | 84.4 | Confident | 74.5 | Confident | 102 Ų | 102 | 95.8 Ų | 95.8 | 53% | 0.534 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.2 | -41.1 | 176.2 | -69.2 | 175.9 | 0 | 0 | 0 | 112 | I176 G177 S183 L184 | I176-L180 HydrophobicContact CG2-CD1 4.17Å; I176-L180 HydrophobicContact CG2-CG 4.33Å; I176-L180 WeakPolarHBondContact O-CG 3.23Å; I176-L180 PolarHBondContact O-N 3.23Å; G177-L180 PolarHBondContact O-N 2.93Å; L180-S183 PolarHBondContact O-N 3.09Å; L180-L184 WeakPolarHBondContact O-CB 3.37Å; L180-L184 VanDerWaalsContact O-CG 3.28Å; L180-L184 WeakPolarHBondContact O-CG 3.28Å; L180-L184 PolarHBondContact O-N 2.76Å |
| 181 | I | 85.1 | Confident | 76.5 | Confident | 123 Ų | 123 | 92.3 Ų | 92.3 | 63% | 0.631 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64.9 | -45.5 | 178.1 | -68.6 | 164.9 | 0 | 0 | 0 | 111.1 | G177 G178 I179 S183 L184 G185 | G177-I181 WeakPolarHBondContact O-CD1 2.88Å; G177-I181 VanDerWaalsContact O-CG1 3.26Å; G177-I181 WeakPolarHBondContact O-CG1 3.13Å; G177-I181 PolarHBondContact O-N 3.08Å; G178-I181 PolarHBondContact O-N 3.07Å; I179-I181 VanDerWaalsContact C-N 3.35Å; I179-I181 PolarHBondContact O-N 3.1Å; I181-S183 VanDerWaalsContact C-N 3.33Å; I181-S183 PolarHBondContact O-N 3.4Å; I181-L184 PolarHBondContact O-N 3.34Å; I181-G185 PolarHBondContact O-N 3.34Å |
| 182 | I | 84.5 | Confident | 78.3 | Confident | 118 Ų | 118 | 87.9 Ų | 87.9 | 61% | 0.605 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.7 | -43.2 | 177.2 | -66.3 | 166.4 | 0 | 0 | 0 | 110.1 | G178 I179 G185 C186 | G178-I182 WeakPolarHBondContact O-CG1 3.35Å; G178-I182 PolarHBondContact O-N 3.04Å; I179-I182 PolarHBondContact O-N 3.47Å; I182-G185 PolarHBondContact O-N 3.17Å; I182-C186 PolarHBondContact O-N 3.04Å; I182-C186 PolarHBondContact O-SG 3.13Å; I182-C186 VanDerWaalsContact O-SG 3.42Å |
| 183 | S | 86.6 | Confident | 79.8 | Confident | 57 Ų | 57 | 90.2 Ų | 90.2 | 40% | 0.399 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.8 | -45.8 | 179.6 | -57 | 0 | 0 | 0 | 0 | 111.9 | I179 L180 I181 G185 C186 L187 | I179-S183 WeakPolarHBondContact O-CB 3.29Å; I179-S183 PolarHBondContact O-N 2.03Å; I179-S183 PolarHBondContact O-OG 2.82Å; L180-S183 PolarHBondContact O-N 3.09Å; I181-S183 VanDerWaalsContact C-N 3.33Å; I181-S183 PolarHBondContact O-N 3.4Å; S183-G185 PolarHBondContact O-N 3.11Å; S183-C186 PolarHBondContact O-N 3.13Å; S183-L187 WeakPolarHBondContact O-CG 3.47Å; S183-L187 PolarHBondContact O-N 3.39Å |
| 184 | L | 88.9 | Confident | 80.8 | Confident | 113 Ų | 113 | 90.4 Ų | 90.4 | 59% | 0.592 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.6 | -40.5 | 175.8 | -71.5 | 171.1 | 0 | 0 | 0 | 111.8 | L180 I181 L187 V188 | L180-L184 WeakPolarHBondContact O-CB 3.37Å; L180-L184 VanDerWaalsContact O-CG 3.28Å; L180-L184 WeakPolarHBondContact O-CG 3.28Å; L180-L184 PolarHBondContact O-N 2.76Å; I181-L184 PolarHBondContact O-N 3.34Å; L184-L187 PolarHBondContact O-N 3.43Å; L184-V188 WeakPolarHBondContact O-CG2 3.19Å; L184-V188 PolarHBondContact O-N 3.26Å; L184-V188 VanDerWaalsContact O-N 3.11Å |
| 185 | G | 87.7 | Confident | 81.4 | Confident | 31 Ų | 31 | 86.6 Ų | 86.6 | 32% | 0.32 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I181 I182 S183 L187 V188 I189 | I181-G185 PolarHBondContact O-N 3.34Å; I182-G185 PolarHBondContact O-N 3.17Å; S183-G185 PolarHBondContact O-N 3.11Å; G185-L187 VanDerWaalsContact C-N 3.34Å; G185-L187 PolarHBondContact O-N 2.86Å; G185-V188 PolarHBondContact O-N 2.96Å; G185-I189 WeakPolarHBondContact O-CG1 3.31Å; G185-I189 PolarHBondContact O-N 3.05Å; G185-I189 VanDerWaalsContact O-N 3.09Å |
| 186 | C | 91.3 | Very high | 81.3 | Confident | 66 Ų | 66 | 86.2 Ų | 86.2 | 45% | 0.446 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.5 | -43 | 175 | -75.2 | 0 | 0 | 0 | 0 | 112 | I182 S183 V188 I189 I190 | I182-C186 PolarHBondContact O-N 3.04Å; I182-C186 PolarHBondContact O-SG 3.13Å; I182-C186 VanDerWaalsContact O-SG 3.42Å; S183-C186 PolarHBondContact O-N 3.13Å; C186-V188 PolarHBondContact O-N 2.76Å; C186-I189 PolarHBondContact O-N 3.48Å; C186-I190 WeakPolarHBondContact O-CB 3.43Å; C186-I190 WeakPolarHBondContact O-CD1 3.27Å; C186-I190 WeakPolarHBondContact O-CG1 3.22Å; C186-I190 PolarHBondContact O-N 2.76Å |
| 187 | L | 90.9 | Very high | 80.2 | Confident | 112 Ų | 112 | 91.8 Ų | 91.8 | 59% | 0.586 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.4 | -42.1 | 177.8 | -73 | 173.8 | 0 | 0 | 0 | 112.4 | S183 L184 G185 I190 A191 | S183-L187 WeakPolarHBondContact O-CG 3.47Å; S183-L187 PolarHBondContact O-N 3.39Å; L184-L187 PolarHBondContact O-N 3.43Å; G185-L187 VanDerWaalsContact C-N 3.34Å; G185-L187 PolarHBondContact O-N 2.86Å; L187-I190 PolarHBondContact O-N 2.9Å; L187-A191 VanDerWaalsContact O-CB 3.26Å; L187-A191 WeakPolarHBondContact O-CB 3.04Å; L187-A191 PolarHBondContact O-N 2.85Å |
| 188 | V | 88.7 | Confident | 78.9 | Confident | 101 Ų | 101 | 94.9 Ų | 94.9 | 61% | 0.612 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.3 | -40.4 | 177.5 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | L184 G185 C186 A191 A192 | L184-V188 WeakPolarHBondContact O-CG2 3.19Å; L184-V188 PolarHBondContact O-N 3.26Å; L184-V188 VanDerWaalsContact O-N 3.11Å; G185-V188 PolarHBondContact O-N 2.96Å; C186-V188 PolarHBondContact O-N 2.76Å; V188-A191 PolarHBondContact O-N 2.65Å; V188-A192 WeakPolarHBondContact O-CB 3.38Å; V188-A192 PolarHBondContact O-N 2.8Å |
| 189 | I | 86.3 | Confident | 77.9 | Confident | 104 Ų | 104 | 99 Ų | 99 | 53% | 0.533 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.8 | -43.9 | 178.3 | -65.9 | 168.4 | 0 | 0 | 0 | 110.6 | G185 C186 A191 A192 I193 | G185-I189 WeakPolarHBondContact O-CG1 3.31Å; G185-I189 PolarHBondContact O-N 3.05Å; G185-I189 VanDerWaalsContact O-N 3.09Å; C186-I189 PolarHBondContact O-N 3.48Å; I189-A191 VanDerWaalsContact C-N 3.33Å; I189-A191 PolarHBondContact O-N 3.34Å; I189-A192 PolarHBondContact O-N 2.01Å; I189-I193 HydrophobicContact CG2-CD1 3.82Å; I189-I193 HydrophobicContact CG2-CG1 4.44Å; I189-I193 VanDerWaalsContact O-CG1 3.31Å; I189-I193 WeakPolarHBondContact O-CG1 3.39Å; I189-I193 PolarHBondContact O-N 2.98Å |
| 190 | I | 85.9 | Confident | 76.5 | Confident | 105 Ų | 105 | 96.7 Ų | 96.7 | 54% | 0.538 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.2 | -42.5 | 175.5 | -67.5 | 165.3 | 0 | 0 | 0 | 110.4 | C186 L187 A192 I193 S194 | C186-I190 WeakPolarHBondContact O-CB 3.43Å; C186-I190 WeakPolarHBondContact O-CD1 3.27Å; C186-I190 WeakPolarHBondContact O-CG1 3.22Å; C186-I190 PolarHBondContact O-N 2.76Å; L187-I190 PolarHBondContact O-N 2.9Å; I190-A192 VanDerWaalsContact C-N 3.32Å; I190-A192 PolarHBondContact O-N 3.36Å; I190-I193 PolarHBondContact O-N 2.96Å; I190-S194 WeakPolarHBondContact O-CB 3.02Å; I190-S194 PolarHBondContact O-N 3.24Å; I190-S194 PolarHBondContact O-OG 3.04Å |
| 191 | A | 83.4 | Confident | 75 | Confident | 53 Ų | 53 | 93.7 Ų | 93.7 | 44% | 0.438 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61 | -40.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L187 V188 I189 S194 A195 | L187-A191 VanDerWaalsContact O-CB 3.26Å; L187-A191 WeakPolarHBondContact O-CB 3.04Å; L187-A191 PolarHBondContact O-N 2.85Å; V188-A191 PolarHBondContact O-N 2.65Å; I189-A191 VanDerWaalsContact C-N 3.33Å; I189-A191 PolarHBondContact O-N 3.34Å; A191-S194 WeakPolarHBondContact CA-OG 3.46Å; A191-S194 PolarHBondContact O-OG 2.01Å; A191-S194 VanDerWaalsContact O-OG 3.13Å; A191-A195 WeakPolarHBondContact O-CB 3.37Å; A191-A195 PolarHBondContact O-N 2.8Å |
| 192 | A | 80.6 | Confident | 73.5 | Confident | 66 Ų | 66 | 96.8 Ų | 96.8 | 55% | 0.545 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.8 | -37.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | V188 I189 I190 | V188-A192 WeakPolarHBondContact O-CB 3.38Å; V188-A192 PolarHBondContact O-N 2.8Å; I189-A192 PolarHBondContact O-N 2.01Å; I190-A192 VanDerWaalsContact C-N 3.32Å; I190-A192 PolarHBondContact O-N 3.36Å |
| 193 | I | 80.9 | Confident | 72 | Confident | 125 Ų | 125 | 99.5 Ų | 99.5 | 64% | 0.641 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -71.2 | -44.8 | 177.1 | -65.8 | 167.1 | 0 | 0 | 0 | 110.6 | I189 I190 A195 G196 | I189-I193 HydrophobicContact CG2-CD1 3.82Å; I189-I193 HydrophobicContact CG2-CG1 4.44Å; I189-I193 VanDerWaalsContact O-CG1 3.31Å; I189-I193 WeakPolarHBondContact O-CG1 3.39Å; I189-I193 PolarHBondContact O-N 2.98Å; I190-I193 PolarHBondContact O-N 2.96Å; I193-A195 VanDerWaalsContact C-N 3.31Å; I193-A195 PolarHBondContact O-N 3.36Å; I193-G196 WeakPolarHBondContact O-CA 3.23Å; I193-G196 PolarHBondContact O-N 3.21Å |
| 194 | S | 78.7 | Confident | 71 | Confident | 95 Ų | 95 | 100.1 Ų | 100.1 | 66% | 0.664 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.4 | -29.7 | 177.1 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | I190 A191 G196 | I190-S194 WeakPolarHBondContact O-CB 3.02Å; I190-S194 PolarHBondContact O-N 3.24Å; I190-S194 PolarHBondContact O-OG 3.04Å; A191-S194 WeakPolarHBondContact CA-OG 3.46Å; A191-S194 PolarHBondContact O-OG 2.01Å; A191-S194 VanDerWaalsContact O-OG 3.13Å; S194-G196 PolarHBondContact O-N 3.22Å; S194-G196 VanDerWaalsContact O-N 3.15Å |
| 195 | A | 67.9 | Low | 70.1 | Confident | 73 Ų | 73 | 103 Ų | 103 | 60% | 0.603 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 10.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A191 I193 R197 | A191-A195 WeakPolarHBondContact O-CB 3.37Å; A191-A195 PolarHBondContact O-N 2.8Å; I193-A195 VanDerWaalsContact C-N 3.31Å; I193-A195 PolarHBondContact O-N 3.36Å; A195-R197 VanDerWaalsContact C-N 3.25Å; A195-R197 PolarHBondContact O-N 2.81Å |
| 196 | G | 57.4 | Low | 69.5 | Low | 54 Ų | 54 | 102.6 Ų | 102.6 | 56% | 0.557 | 61% | 0.612 | S | S | * | * | trans | -62.9 | 76.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I193 S194 | I193-G196 WeakPolarHBondContact O-CA 3.23Å; I193-G196 PolarHBondContact O-N 3.21Å; S194-G196 PolarHBondContact O-N 3.22Å; S194-G196 VanDerWaalsContact O-N 3.15Å | ||
| 197 | R | 48.8 | Very low | 68.9 | Low | 248 Ų | 248 | 105.2 Ų | 105.2 | 94% | 0.936 | 62% | 0.619 | S | S | * | * | trans | -173.4 | 66.1 | 146.6 | -115.6 | 165.5 | 177.5 | 160.2 | -1.6 | 112.1 | A195 | A195-R197 VanDerWaalsContact C-N 3.25Å; A195-R197 PolarHBondContact O-N 2.81Å | ||
| 198 | S | 46.1 | Very low | 68.6 | Low | 104 Ų | 104 | 105.1 Ų | 105.1 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | trans | -153 | 106.9 | 146.4 | -163.5 | 0 | 0 | 0 | 0 | 109.8 | G200 | S198-G200 PolarHBondContact O-N 3.09Š| ||
| 199 | A | 51.4 | Low | 68.4 | Low | 119 Ų | 119 | 105.1 Ų | 105.1 | 98% | 0.983 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | 16.5 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 200 | G | 50.4 | Low | 68.4 | Low | 62 Ų | 62 | 107.9 Ų | 107.9 | 64% | 0.639 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -21.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | S198 | S198-G200 PolarHBondContact O-N 3.09Š|
| 201 | G | 53.5 | Low | 68.6 | Low | 39 Ų | 39 | 107.3 Ų | 107.3 | 40% | 0.402 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -85.8 | -24.7 | -169 | 0 | 0 | 0 | 0 | 0 | 116.5 | K203 S204 | G201-K203 VanDerWaalsContact C-N 3.34Å; G201-K203 PolarHBondContact O-N 3.2Å; G201-S204 PolarHBondContact O-N 2.8Å |
| 202 | F | 52.9 | Low | 68.7 | Low | 188 Ų | 188 | 112 Ų | 112 | 83% | 0.825 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -69.9 | -26.2 | -167.7 | -156.7 | -101.8 | 0 | 0 | 0 | 113.9 | S204 G206 | F202-S204 VanDerWaalsContact C-N 3.33Å; F202-S204 PolarHBondContact O-N 3.11Å; F202-G206 PolarHBondContact O-N 2.78Å |
| 203 | K | 53.7 | Low | 69.1 | Low | 175 Ų | 175 | 112.6 Ų | 112.6 | 76% | 0.761 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.2 | -30.5 | 178.3 | -76.3 | -178.1 | 178.8 | 177 | 0 | 113 | G201 M207 | G201-K203 VanDerWaalsContact C-N 3.34Å; G201-K203 PolarHBondContact O-N 3.2Å; K203-M207 PolarHBondContact O-N 3.36Å |
| 204 | S | 66 | Low | 69.7 | Low | 70 Ų | 70 | 112.9 Ų | 112.9 | 49% | 0.49 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -74.4 | -49.8 | -179.4 | -171.8 | 0 | 0 | 0 | 0 | 111.6 | G201 F202 G206 M207 L208 | G201-S204 PolarHBondContact O-N 2.8Å; F202-S204 VanDerWaalsContact C-N 3.33Å; F202-S204 PolarHBondContact O-N 3.11Å; S204-G206 VanDerWaalsContact C-N 3.3Å; S204-G206 PolarHBondContact O-N 3.32Å; S204-M207 PolarHBondContact O-N 3.11Å; S204-L208 PolarHBondContact O-N 3.27Å |
| 205 | Y | 69 | Low | 70.2 | Confident | 172 Ų | 172 | 111.4 Ų | 111.4 | 68% | 0.675 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -58.7 | -40.3 | 176.7 | -75.4 | -81 | 0 | 0 | 0 | 112.4 | M207 L208 L209 | Y205-M207 VanDerWaalsContact C-N 3.3Å; Y205-M207 PolarHBondContact O-N 3.39Å; Y205-L208 PolarHBondContact O-N 2.85Å; Y205-L209 VanDerWaalsContact O-CB 3.27Å; Y205-L209 WeakPolarHBondContact O-CB 3.36Å; Y205-L209 PolarHBondContact O-N 3.18Å |
| 206 | G | 75.4 | Confident | 71.2 | Confident | 24 Ų | 24 | 111.3 Ų | 111.3 | 25% | 0.247 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -63.5 | -30.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | F202 S204 R210 | F202-G206 PolarHBondContact O-N 2.78Å; S204-G206 VanDerWaalsContact C-N 3.3Å; S204-G206 PolarHBondContact O-N 3.32Å; G206-R210 WeakPolarHBondContact O-CB 3.35Å; G206-R210 VanDerWaalsContact O-CG 3.27Å; G206-R210 WeakPolarHBondContact O-CG 3.2Å; G206-R210 PolarHBondContact O-N 2.03Å; G206-R210 PolarHBondContact O-NE 2.84Å |
| 207 | M | 79.8 | Confident | 72.7 | Confident | 120 Ų | 120 | 116.4 Ų | 116.4 | 59% | 0.591 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -74.7 | -44.9 | 172.5 | -85.4 | -169.3 | -89.7 | 0 | 0 | 111.8 | K203 S204 Y205 L209 R210 Q211 | K203-M207 PolarHBondContact O-N 3.36Å; S204-M207 PolarHBondContact O-N 3.11Å; Y205-M207 VanDerWaalsContact C-N 3.3Å; Y205-M207 PolarHBondContact O-N 3.39Å; M207-L209 PolarHBondContact O-N 3.26Å; M207-R210 PolarHBondContact O-N 3.28Å; M207-Q211 WeakPolarHBondContact O-CB 3.31Å; M207-Q211 PolarHBondContact O-N 2.8Å |
| 208 | L | 83.2 | Confident | 74.6 | Confident | 111 Ų | 111 | 113.3 Ų | 113.3 | 58% | 0.581 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.6 | -41.9 | 178.4 | -66.4 | 174.6 | 0 | 0 | 0 | 112.1 | S204 Y205 Q211 W212 | S204-L208 PolarHBondContact O-N 3.27Å; Y205-L208 PolarHBondContact O-N 2.85Å; L208-Q211 PolarHBondContact O-N 2.91Å; L208-W212 VanDerWaalsContact O-CB 3.29Å; L208-W212 WeakPolarHBondContact O-CB 3.35Å; L208-W212 PolarHBondContact O-N 3.4Å |
| 209 | L | 85 | Confident | 76.3 | Confident | 101 Ų | 101 | 117.2 Ų | 117.2 | 53% | 0.529 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.8 | -43.4 | 176.3 | -179.1 | 62.8 | 0 | 0 | 0 | 111.7 | Y205 M207 Q211 W212 L213 | Y205-L209 VanDerWaalsContact O-CB 3.27Å; Y205-L209 WeakPolarHBondContact O-CB 3.36Å; Y205-L209 PolarHBondContact O-N 3.18Å; M207-L209 PolarHBondContact O-N 3.26Å; L209-Q211 VanDerWaalsContact C-N 3.34Å; L209-Q211 PolarHBondContact O-N 2.89Å; L209-W212 HydrophobicContact CD1-CE3 4.15Å; L209-W212 PolarHBondContact O-N 3.36Å; L209-L213 HydrophobicContact CD1-CD1 4.48Å; L209-L213 HydrophobicContact CD1-CG 4.42Å; L209-L213 HydrophobicContact CG-CD1 4.25Å; L209-L213 WeakPolarHBondContact O-CB 3.01Å; L209-L213 VanDerWaalsContact O-CG 3.27Å; L209-L213 WeakPolarHBondContact O-CG 3.42Å; L209-L213 PolarHBondContact O-N 3.41Å |
| 210 | R | 86.7 | Confident | 77.7 | Confident | 161 Ų | 161 | 119.8 Ų | 119.8 | 61% | 0.608 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.6 | -39.2 | 176.7 | -78 | -177 | -72.5 | -161.1 | 2.5 | 112 | G206 M207 K214 | G206-R210 WeakPolarHBondContact O-CB 3.35Å; G206-R210 VanDerWaalsContact O-CG 3.27Å; G206-R210 WeakPolarHBondContact O-CG 3.2Å; G206-R210 PolarHBondContact O-N 2.03Å; G206-R210 PolarHBondContact O-NE 2.84Å; M207-R210 PolarHBondContact O-N 3.28Å; R210-K214 WeakPolarHBondContact O-CG 3.24Å; R210-K214 PolarHBondContact O-N 3.24Å |
| 211 | Q | 89.1 | Confident | 78.9 | Confident | 93 Ų | 93 | 120.2 Ų | 120.2 | 44% | 0.435 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.2 | -46.4 | 175.7 | -173.3 | 59 | 29.9 | 0 | 0 | 111.2 | M207 L208 L209 L213 K214 D215 | M207-Q211 WeakPolarHBondContact O-CB 3.31Å; M207-Q211 PolarHBondContact O-N 2.8Å; L208-Q211 PolarHBondContact O-N 2.91Å; L209-Q211 VanDerWaalsContact C-N 3.34Å; L209-Q211 PolarHBondContact O-N 2.89Å; Q211-L213 VanDerWaalsContact C-N 3.35Å; Q211-L213 PolarHBondContact O-N 3.49Å; Q211-K214 WeakPolarHBondContact O-CB 3.44Å; Q211-K214 PolarHBondContact O-N 2.7Å; Q211-K214 VanDerWaalsContact O-N 3.12Å; Q211-D215 PolarHBondContact O-N 2.68Å |
| 212 | W | 85.7 | Confident | 79.8 | Confident | 151 Ų | 151 | 121.6 Ų | 121.6 | 57% | 0.572 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -59.7 | -41.8 | 177 | -177.7 | 82.2 | 0 | 0 | 0 | 112.7 | L208 L209 K214 D215 L216 | L208-W212 VanDerWaalsContact O-CB 3.29Å; L208-W212 WeakPolarHBondContact O-CB 3.35Å; L208-W212 PolarHBondContact O-N 3.4Å; L209-W212 HydrophobicContact CD1-CE3 4.15Å; L209-W212 PolarHBondContact O-N 3.36Å; W212-K214 VanDerWaalsContact C-N 3.34Å; W212-K214 PolarHBondContact O-N 2.86Å; W212-D215 PolarHBondContact O-N 3.24Å; W212-L216 HydrophobicContact CD2-CD1 3.95Å; W212-L216 HydrophobicContact CD2-CG 4.25Å; W212-L216 HydrophobicContact CE3-CD1 3.67Å; W212-L216 HydrophobicContact CE3-CG 4.39Å; W212-L216 HydrophobicContact CH2-CD1 3.33Å; W212-L216 HydrophobicContact CH2-CG 4.4Å; W212-L216 HydrophobicContact CZ2-CD1 3.59Å; W212-L216 HydrophobicContact CZ2-CD2 4.42Å; W212-L216 HydrophobicContact CZ2-CG 4.21Å; W212-L216 HydrophobicContact CZ3-CD1 3.35Å; W212-L216 HydrophobicContact CZ3-CG 4.46Å; W212-L216 PolarHBondContact O-N 3.33Å |
| 213 | L | 90.6 | Very high | 80.4 | Confident | 80 Ų | 80 | 118 Ų | 118 | 42% | 0.419 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.8 | -35.9 | 175.1 | -73.5 | 172.5 | 0 | 0 | 0 | 112.8 | L209 Q211 K217 | L209-L213 HydrophobicContact CD1-CD1 4.48Å; L209-L213 HydrophobicContact CD1-CG 4.42Å; L209-L213 HydrophobicContact CG-CD1 4.25Å; L209-L213 WeakPolarHBondContact O-CB 3.01Å; L209-L213 VanDerWaalsContact O-CG 3.27Å; L209-L213 WeakPolarHBondContact O-CG 3.42Å; L209-L213 PolarHBondContact O-N 3.41Å; Q211-L213 VanDerWaalsContact C-N 3.35Å; Q211-L213 PolarHBondContact O-N 3.49Å; L213-K217 PolarHBondContact O-N 3.01Å; L213-K217 VanDerWaalsContact O-N 3.08Å |
| 214 | K | 92.4 | Very high | 81.1 | Confident | 131 Ų | 131 | 113.3 Ų | 113.3 | 57% | 0.57 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.6 | -41.6 | 173.9 | -72.9 | 174.5 | -177.1 | 178.8 | 0 | 111.1 | R210 Q211 W212 K217 R218 | R210-K214 WeakPolarHBondContact O-CG 3.24Å; R210-K214 PolarHBondContact O-N 3.24Å; Q211-K214 WeakPolarHBondContact O-CB 3.44Å; Q211-K214 PolarHBondContact O-N 2.7Å; Q211-K214 VanDerWaalsContact O-N 3.12Å; W212-K214 VanDerWaalsContact C-N 3.34Å; W212-K214 PolarHBondContact O-N 2.86Å; K214-K217 PolarHBondContact O-N 2.83Å; K214-R218 PolarHBondContact O-N 3.3Å |
| 215 | D | 89.9 | Confident | 81.1 | Confident | 64 Ų | 64 | 118.1 Ų | 118.1 | 34% | 0.342 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.8 | -37 | 178.1 | -70 | -22.3 | 0 | 0 | 0 | 112 | Q211 W212 R218 R219 | Q211-D215 PolarHBondContact O-N 2.68Å; W212-D215 PolarHBondContact O-N 3.24Å; D215-R218 PolarHBondContact O-N 3.12Å; D215-R219 WeakPolarHBondContact O-CG 3.05Å; D215-R219 PolarHBondContact O-N 2.85Å |
| 216 | L | 88.3 | Confident | 80.6 | Confident | 71 Ų | 71 | 117.5 Ų | 117.5 | 37% | 0.372 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 171.8 | -78.1 | -176.5 | 0 | 0 | 0 | 112.7 | W212 R218 R219 R220 | W212-L216 HydrophobicContact CD2-CD1 3.95Å; W212-L216 HydrophobicContact CD2-CG 4.25Å; W212-L216 HydrophobicContact CE3-CD1 3.67Å; W212-L216 HydrophobicContact CE3-CG 4.39Å; W212-L216 HydrophobicContact CH2-CD1 3.33Å; W212-L216 HydrophobicContact CH2-CG 4.4Å; W212-L216 HydrophobicContact CZ2-CD1 3.59Å; W212-L216 HydrophobicContact CZ2-CD2 4.42Å; W212-L216 HydrophobicContact CZ2-CG 4.21Å; W212-L216 HydrophobicContact CZ3-CD1 3.35Å; W212-L216 HydrophobicContact CZ3-CG 4.46Å; W212-L216 PolarHBondContact O-N 3.33Å; L216-R218 VanDerWaalsContact C-N 3.29Å; L216-R218 PolarHBondContact O-N 2.82Å; L216-R219 PolarHBondContact O-N 2.83Å; L216-R220 WeakPolarHBondContact O-CB 2.99Å; L216-R220 PolarHBondContact O-N 3.33Å |
| 217 | K | 89.9 | Confident | 79.4 | Confident | 160 Ų | 160 | 119.7 Ų | 119.7 | 70% | 0.696 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.4 | -38.9 | 175 | -73.6 | -174.7 | -175.5 | -176.6 | 0 | 111.6 | L213 K214 R220 S221 | L213-K217 PolarHBondContact O-N 3.01Å; L213-K217 VanDerWaalsContact O-N 3.08Å; K214-K217 PolarHBondContact O-N 2.83Å; K217-R220 WeakPolarHBondContact O-CB 3.44Å; K217-R220 PolarHBondContact O-N 2.04Å; K217-S221 PolarHBondContact O-N 2.82Å |
| 218 | R | 87.4 | Confident | 77.5 | Confident | 184 Ų | 184 | 118.5 Ų | 118.5 | 69% | 0.694 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.1 | -42.9 | 176.9 | -159.1 | -173.6 | -64.5 | -125.8 | 3.1 | 111.6 | K214 D215 L216 S221 S222 | K214-R218 PolarHBondContact O-N 3.3Å; D215-R218 PolarHBondContact O-N 3.12Å; L216-R218 VanDerWaalsContact C-N 3.29Å; L216-R218 PolarHBondContact O-N 2.82Å; R218-S221 PolarHBondContact O-N 2.7Å; R218-S222 PolarHBondContact O-N 2.73Å |
| 219 | R | 82.3 | Confident | 75.6 | Confident | 185 Ų | 185 | 118.4 Ų | 118.4 | 70% | 0.698 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64 | -42.1 | 174.3 | -71.3 | 178.5 | -175.4 | -137.3 | 2.2 | 112 | D215 L216 S222 M223 | D215-R219 WeakPolarHBondContact O-CG 3.05Å; D215-R219 PolarHBondContact O-N 2.85Å; L216-R219 PolarHBondContact O-N 2.83Å; R219-S222 WeakPolarHBondContact O-CB 3.37Å; R219-S222 PolarHBondContact O-N 2.76Å; R219-M223 PolarHBondContact O-N 2.57Å |
| 220 | R | 79.7 | Confident | 73.5 | Confident | 173 Ų | 173 | 117.5 Ų | 117.5 | 65% | 0.653 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -56.9 | -52.2 | 174.1 | -175 | 83.6 | -171 | -146.3 | 2.5 | 111.4 | L216 K217 S222 M223 D224 | L216-R220 WeakPolarHBondContact O-CB 2.99Å; L216-R220 PolarHBondContact O-N 3.33Å; K217-R220 WeakPolarHBondContact O-CB 3.44Å; K217-R220 PolarHBondContact O-N 2.04Å; R220-S222 VanDerWaalsContact C-N 3.25Å; R220-S222 PolarHBondContact O-N 3.13Å; R220-M223 WeakPolarHBondContact O-CB 3.31Å; R220-M223 PolarHBondContact O-N 3.5Å; R220-D224 PolarHBondContact O-N 2.75Å |
| 221 | S | 75.6 | Confident | 71 | Confident | 72 Ų | 72 | 116.3 Ų | 116.3 | 50% | 0.503 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.9 | -30.8 | 176.9 | -78 | 0 | 0 | 0 | 0 | 113.6 | K217 R218 K225 | K217-S221 PolarHBondContact O-N 2.82Å; R218-S221 PolarHBondContact O-N 2.7Å; S221-K225 WeakPolarHBondContact O-CG 2.89Å; S221-K225 PolarHBondContact O-N 3.17Å |
| 222 | S | 74.1 | Confident | 68.5 | Low | 68 Ų | 68 | 120.1 Ų | 120.1 | 48% | 0.476 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68 | -37.4 | 174.1 | -162.4 | 0 | 0 | 0 | 0 | 111.9 | R218 R219 R220 | R218-S222 PolarHBondContact O-N 2.73Å; R219-S222 WeakPolarHBondContact O-CB 3.37Å; R219-S222 PolarHBondContact O-N 2.76Å; R220-S222 VanDerWaalsContact C-N 3.25Å; R220-S222 PolarHBondContact O-N 3.13Å |
| 223 | M | 64 | Low | 66 | Low | 111 Ų | 111 | 118 Ų | 118 | 55% | 0.547 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70.1 | -39.2 | 175 | -69.9 | -163 | 70.1 | 0 | 0 | 112.3 | R219 R220 K225 Q226 A227 | R219-M223 PolarHBondContact O-N 2.57Å; R220-M223 WeakPolarHBondContact O-CB 3.31Å; R220-M223 PolarHBondContact O-N 3.5Å; M223-K225 VanDerWaalsContact C-N 3.27Å; M223-K225 PolarHBondContact O-N 3.41Å; M223-Q226 PolarHBondContact O-N 3.18Å; M223-A227 WeakPolarHBondContact O-CB 3.19Å; M223-A227 PolarHBondContact O-N 2.02Å |
| 224 | D | 69.1 | Low | 63.4 | Low | 78 Ų | 78 | 117.6 Ų | 117.6 | 42% | 0.417 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.1 | -30.7 | 179.3 | -64.9 | -34.8 | 0 | 0 | 0 | 112 | R220 Q226 A227 T228 | R220-D224 PolarHBondContact O-N 2.75Å; D224-Q226 VanDerWaalsContact C-N 3.29Å; D224-Q226 PolarHBondContact O-N 2.03Å; D224-A227 CarbonylContact O-C 3.28Å; D224-A227 PolarHBondContact O-N 3.45Å; D224-T228 PolarHBondContact O-N 2.9Å; D224-T228 VanDerWaalsContact O-N 3.08Å |
| 225 | K | 65.6 | Low | 60.7 | Low | 171 Ų | 171 | 115 Ų | 115 | 74% | 0.743 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.1 | -24.7 | 172.5 | -72.3 | -179.9 | -178.8 | -173.4 | 0 | 113.9 | S221 M223 T228 | S221-K225 WeakPolarHBondContact O-CG 2.89Å; S221-K225 PolarHBondContact O-N 3.17Å; M223-K225 VanDerWaalsContact C-N 3.27Å; M223-K225 PolarHBondContact O-N 3.41Å; K225-T228 PolarHBondContact O-OG1 2.9Å |
| 226 | Q | 58.2 | Low | 57.9 | Low | 159 Ų | 159 | 118.8 Ų | 118.8 | 74% | 0.743 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -90.3 | -22.7 | 173.7 | -76.3 | 162 | -19.1 | 0 | 0 | 111.7 | M223 D224 | M223-Q226 PolarHBondContact O-N 3.18Å; D224-Q226 VanDerWaalsContact C-N 3.29Å; D224-Q226 PolarHBondContact O-N 2.03Å |
| 227 | A | 49.9 | Very low | 55.6 | Low | 70 Ų | 70 | 121 Ų | 121 | 58% | 0.579 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -93.2 | 2.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | M223 D224 P229 | M223-A227 WeakPolarHBondContact O-CB 3.19Å; M223-A227 PolarHBondContact O-N 2.02Å; D224-A227 CarbonylContact O-C 3.28Å; D224-A227 PolarHBondContact O-N 3.45Å; A227-P229 WeakPolarHBondContact O-CD 3.35Å |
| 228 | T | 40.3 | Very low | 52.7 | Low | 95 Ų | 95 | 118.1 Ų | 118.1 | 58% | 0.583 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -78 | 100.5 | 157.3 | 51.9 | 0 | 0 | 0 | 0 | 107.3 | D224 K225 A230 | D224-T228 PolarHBondContact O-N 2.9Å; D224-T228 VanDerWaalsContact O-N 3.08Å; K225-T228 PolarHBondContact O-OG1 2.9Å; T228-A230 PolarHBondContact O-N 3.01Å |
| 229 | P | 44.4 | Very low | 50.5 | Low | 108 Ų | 108 | 115.3 Ų | 115.3 | 70% | 0.701 | 67% | 0.665 | S | S | * | * | trans | -52.4 | 132.3 | 161.5 | 24.9 | -32.9 | 0 | 0 | 0 | 105.9 | A227 T231 | A227-P229 WeakPolarHBondContact O-CD 3.35Å; P229-T231 VanDerWaalsContact C-N 3.29Å; P229-T231 PolarHBondContact O-N 3.31Å | ||
| 230 | A | 40.9 | Very low | 48.1 | Very low | 83 Ų | 83 | 115 Ų | 115 | 69% | 0.686 | 67% | 0.671 | S | S | * | * | trans | -49.8 | 103.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | T228 K232 | T228-A230 PolarHBondContact O-N 3.01Å; A230-K232 HydrophobicContact CB-CG 4.3Å; A230-K232 PolarHBondContact O-N 3.2Å | ||
| 231 | T | 32.7 | Very low | 45.7 | Very low | 136 Ų | 136 | 116.4 Ų | 116.4 | 83% | 0.834 | 69% | 0.685 | S | S | * | * | trans | -63.5 | 70.3 | 149.7 | 8 | 0 | 0 | 0 | 0 | 105.9 | P229 S233 | P229-T231 VanDerWaalsContact C-N 3.29Å; P229-T231 PolarHBondContact O-N 3.31Å; T231-S233 PolarHBondContact O-N 3.09Å | ||
| 232 | K | 38.1 | Very low | 43.5 | Very low | 172 Ų | 172 | 116.5 Ų | 116.5 | 75% | 0.748 | 70% | 0.697 | S | S | * | * | trans | -67.8 | 85.7 | 138.7 | -68.4 | -175.9 | 177.3 | -176.4 | 0 | 102.5 | A230 | A230-K232 HydrophobicContact CB-CG 4.3Å; A230-K232 PolarHBondContact O-N 3.2Å | ||
| 233 | S | 33.3 | Very low | 41.3 | Very low | 108 Ų | 108 | 116.8 Ų | 116.8 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | 33.4 | 91.4 | 82.3 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | T231 A235 | T231-S233 PolarHBondContact O-N 3.09Å; S233-A235 PolarHBondContact O-N 3.1Å; S233-A235 VanDerWaalsContact O-N 3.08Å | |||
| 234 | G | 34.5 | Very low | 39.8 | Very low | 71 Ų | 71 | 120.5 Ų | 120.5 | 73% | 0.732 | 73% | 0.727 | S | S | * | * | trans | 16.9 | 78.7 | 171 | 0 | 0 | 0 | 0 | 0 | 116.1 | N236 | G234-N236 PolarHBondContact O-N 3.05Å; G234-N236 VanDerWaalsContact O-N 3.14Å | ||
| 235 | A | 35.8 | Very low | 37.9 | Very low | 75 Ų | 75 | 123.4 Ų | 123.4 | 62% | 0.62 | 75% | 0.748 | S | S | * | * | trans | -76.8 | 88.4 | 143.2 | 0 | 0 | 0 | 0 | 0 | 105.2 | S233 V237 | S233-A235 PolarHBondContact O-N 3.1Å; S233-A235 VanDerWaalsContact O-N 3.08Å; A235-V237 PolarHBondContact O-N 3.01Å | ||
| 236 | N | 32.4 | Very low | 36.1 | Very low | 145 Ų | 145 | 120.8 Ų | 120.8 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | trans | -47.2 | 101.2 | 153.7 | -83 | -14.7 | 0 | 0 | 0 | 105.9 | G234 S238 | G234-N236 PolarHBondContact O-N 3.05Å; G234-N236 VanDerWaalsContact O-N 3.14Å; N236-S238 PolarHBondContact O-N 3.46Å | ||
| 237 | V | 38.9 | Very low | 34.9 | Very low | 117 Ų | 117 | 117.2 Ų | 117.2 | 71% | 0.709 | 75% | 0.749 | S | S | * | * | trans | -75.7 | 85.4 | 162.5 | -175.5 | 0 | 0 | 0 | 0 | 104.1 | A235 V239 | A235-V237 PolarHBondContact O-N 3.01Å; V237-V239 HydrophobicContact CG1-CG2 3.5Å; V237-V239 PolarHBondContact O-N 3.22Å | ||
| 238 | S | 29.6 | Very low | 33.9 | Very low | 99 Ų | 99 | 121.6 Ų | 121.6 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | trans | -62.1 | 91.1 | 156.6 | -58.7 | 0 | 0 | 0 | 0 | 105.7 | N236 E240 | N236-S238 PolarHBondContact O-N 3.46Å; S238-E240 PolarHBondContact O-N 3.37Å | ||
| 239 | V | 40.5 | Very low | 33.6 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | -74 | 106.2 | 165.3 | -179.8 | 0 | 0 | 0 | 0 | 105.5 | V237 | V237-V239 HydrophobicContact CG1-CG2 3.5Å; V237-V239 PolarHBondContact O-N 3.22Å | ||
| 240 | E | 32.7 | Very low | 33 | Very low | 177 Ų | 177 | 131.7 Ų | 131.7 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | -58.7 | 149.8 | 171.6 | -74.8 | -179.6 | 115.8 | 0 | 0 | 111.2 | S238 G242 | S238-E240 PolarHBondContact O-N 3.37Å; E240-G242 PolarHBondContact O-N 3Å | ||
| 241 | Q | 30.1 | Very low | 32.7 | Very low | 204 Ų | 204 | 133.7 Ų | 133.7 | 95% | 0.953 | 78% | 0.784 | S | S | * | * | trans | -58 | 112.7 | 178.4 | -66.4 | 154.4 | -34.8 | 0 | 0 | 111 | ||||
| 242 | G | 29.6 | Very low | 32.6 | Very low | 74 Ų | 74 | 133 Ų | 133 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | trans | -133.5 | 108 | 145.4 | 0 | 0 | 0 | 0 | 0 | 104.5 | E240 | E240-G242 PolarHBondContact O-N 3Š| ||
| 243 | G | 26.4 | Very low | 32.2 | Very low | 74 Ų | 74 | 128.2 Ų | 128.2 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | 92.3 | 82.6 | 52.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | |||||
| 244 | E | 33.2 | Very low | 32.2 | Very low | 189 Ų | 189 | 129.8 Ų | 129.8 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | trans | -164.1 | 104 | 147.5 | -108.6 | 165.2 | 172.2 | 0 | 0 | 109.8 | ||||
| 245 | T | 28.3 | Very low | 32.1 | Very low | 139 Ų | 139 | 131.7 Ų | 131.7 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -37.8 | 126.5 | 150.8 | 47.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 246 | S | 29 | Very low | 32.3 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | -171.2 | 123.8 | 123.6 | -150.7 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 247 | A | 32.1 | Very low | 32.4 | Very low | 84 Ų | 84 | 136.7 Ų | 136.7 | 69% | 0.694 | 79% | 0.786 | S | S | * | * | trans | 55 | 97.4 | 136.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 248 | E | 29.1 | Very low | 32.6 | Very low | 162 Ų | 162 | 144.1 Ų | 144.1 | 76% | 0.757 | 81% | 0.813 | S | S | * | * | 54.4 | 95.2 | 107.7 | -155.6 | 152.5 | 122.9 | 0 | 0 | 116.5 | |||||
| 249 | R | 33.3 | Very low | 32.8 | Very low | 254 Ų | 254 | 146.4 Ų | 146.4 | 96% | 0.958 | 82% | 0.819 | S | S | * | * | trans | -133.8 | 94.6 | 144.3 | -132.6 | 173.1 | -114.1 | -140.7 | -0.3 | 110.9 | ||||
| 250 | K | 32.5 | Very low | 32.4 | Very low | 162 Ų | 162 | 147.4 Ų | 147.4 | 70% | 0.704 | 82% | 0.822 | S | S | * | * | trans | -14.6 | 121.2 | 162.2 | -69.2 | 169.4 | 178.5 | 175.3 | 0 | 114.5 | V252 | K250-V252 PolarHBondContact O-N 2.85Å; K250-V252 VanDerWaalsContact O-N 3.14Å | ||
| 251 | S | 34.2 | Very low | 32.4 | Very low | 124 Ų | 124 | 145.8 Ų | 145.8 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | trans | -47.4 | 109.5 | 152.5 | -33.5 | 0 | 0 | 0 | 0 | 109.5 | G253 | S251-G253 PolarHBondContact O-N 3.25Š| ||
| 252 | V | 31.1 | Very low | 32.5 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | trans | -81.5 | 94.1 | 161.6 | 177.5 | 0 | 0 | 0 | 0 | 105.9 | K250 L254 | K250-V252 PolarHBondContact O-N 2.85Å; K250-V252 VanDerWaalsContact O-N 3.14Å; V252-L254 HydrophobicContact CG1-CD1 3.75Å; V252-L254 PolarHBondContact O-N 2.96Å | ||
| 253 | G | 30.7 | Very low | 32.7 | Very low | 73 Ų | 73 | 146.6 Ų | 146.6 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | -67 | 111.2 | 152.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | S251 | S251-G253 PolarHBondContact O-N 3.25Š| ||
| 254 | L | 32.6 | Very low | 33.1 | Very low | 140 Ų | 140 | 151.5 Ų | 151.5 | 73% | 0.733 | 82% | 0.821 | S | S | * | * | trans | -106.6 | 107.4 | 158.6 | -129.1 | 82.3 | 0 | 0 | 0 | 107.3 | V252 | V252-L254 HydrophobicContact CG1-CD1 3.75Å; V252-L254 PolarHBondContact O-N 2.96Å | ||
| 255 | S | 31.7 | Very low | 33.1 | Very low | 111 Ų | 111 | 148.8 Ų | 148.8 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | -56.5 | 128.1 | 157.1 | 48.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 256 | Q | 39.9 | Very low | 33.5 | Very low | 159 Ų | 159 | 149.5 Ų | 149.5 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | trans | -133 | 105.4 | 150.8 | -78.1 | -173.3 | -26.6 | 0 | 0 | 106.2 | ||||
| 257 | Q | 34.4 | Very low | 33.9 | Very low | 167 Ų | 167 | 152.4 Ų | 152.4 | 78% | 0.78 | 81% | 0.814 | S | S | * | * | 67.2 | 94.9 | 111.3 | -80.1 | 170.5 | -77 | 0 | 0 | 114 | |||||
| 258 | Q | 44.6 | Very low | 34 | Very low | 272 Ų | 272 | 158.6 Ų | 158.6 | 100% | 1.271 | 83% | 0.825 | S | S | * | * | -174.3 | 0 | 106.7 | -98.4 | 175.3 | -18.3 | 0 | 0 | 110.5 |
Retrieved 258 of 258 residues in 202.4 ms
(Link to these results)