| 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 | 40 | Very low | 51.8 | Low | 239 Ų | 239 | 155.9 Ų | 155.9 | 100% | 1.177 | 79% | 0.79 | S | S | * | * | 0 | 78.3 | 0 | -154.8 | 171.4 | -165.2 | 0 | 0 | 106.4 | |||||
| 2 | E | 38.4 | Very low | 53 | Low | 182 Ų | 182 | 154.8 Ų | 154.8 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -110 | 90 | -178.8 | -73.4 | -172.1 | 161.8 | 0 | 0 | 108.3 | R4 | E2-R4 VanDerWaalsContact C-N 3.33Å; E2-R4 PolarHBondContact O-N 3.29Å; E2-R4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | T | 41.7 | Very low | 54 | Low | 130 Ų | 130 | 154 Ų | 154 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | trans | -75 | 92.5 | 165 | 32.4 | 0 | 0 | 0 | 0 | 107.7 | F5 | T3-F5 PolarHBondContact O-N 2.95Š| ||
| 4 | R | 47.9 | Very low | 55 | Low | 222 Ų | 222 | 151.5 Ų | 151.5 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | trans | -52 | 114.3 | 162 | -78 | 179.1 | 174.2 | 172.6 | -1.9 | 107.5 | E2 T6 | E2-R4 VanDerWaalsContact C-N 3.33Å; E2-R4 PolarHBondContact O-N 3.29Å; E2-R4 VanDerWaalsContact O-N 3.08Å; R4-T6 PolarHBondContact O-N 3.27Å | ||
| 5 | F | 52.1 | Low | 55.6 | Low | 201 Ų | 201 | 153.5 Ų | 153.5 | 88% | 0.882 | 76% | 0.761 | S | S | * | * | trans | -52.2 | 108.9 | 163.3 | -84.9 | -91.8 | 0 | 0 | 0 | 107.3 | T3 R7 | T3-F5 PolarHBondContact O-N 2.95Å; F5-R7 PolarHBondContact O-N 3.34Å | ||
| 6 | T | 51.3 | Low | 56.1 | Low | 134 Ų | 134 | 148.6 Ų | 148.6 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | trans | -62.5 | 111 | 164.3 | 46.6 | 0 | 0 | 0 | 0 | 105.3 | R4 G8 | R4-T6 PolarHBondContact O-N 3.27Å; T6-G8 PolarHBondContact O-N 3.43Å | ||
| 7 | R | 55.9 | Low | 56.7 | Low | 248 Ų | 248 | 150.5 Ų | 150.5 | 94% | 0.936 | 76% | 0.758 | S | S | * | * | trans | -68.7 | 69.3 | 173.8 | -162.7 | 179.2 | -172.4 | -174.1 | 2.8 | 107.5 | F5 K9 | F5-R7 PolarHBondContact O-N 3.34Å; R7-K9 PolarHBondContact O-N 3.12Å; R7-K9 VanDerWaalsContact O-N 3.09Å | ||
| 8 | G | 56.2 | Low | 57.2 | Low | 56 Ų | 56 | 147.9 Ų | 147.9 | 58% | 0.577 | 75% | 0.751 | S | S | * | * | trans | -62.2 | 110.9 | 173 | 0 | 0 | 0 | 0 | 0 | 107 | T6 S10 | T6-G8 PolarHBondContact O-N 3.43Å; G8-S10 PolarHBondContact O-N 3.24Å | ||
| 9 | K | 58.6 | Low | 57.7 | Low | 159 Ų | 159 | 152.4 Ų | 152.4 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | trans | -48.3 | 106.5 | 171.2 | -71.9 | 160.3 | 150.8 | -126.9 | 0 | 107.7 | R7 A11 E14 | R7-K9 PolarHBondContact O-N 3.12Å; R7-K9 VanDerWaalsContact O-N 3.09Å; K9-A11 PolarHBondContact O-N 3.04Å; K9-E14 HydrophobicContact CB-CG 4.28Å; K9-E14 WeakPolarHBondContact CD-OE1 3.35Å; K9-E14 VanDerWaalsContact CE-OE1 3.3Å; K9-E14 WeakPolarHBondContact CE-OE1 3.09Å; K9-E14 WeakPolarHBondContact CG-OE1 3.42Å; K9-E14 IonicContact NZ-OE1 2.75Å; K9-E14 PolarHBondContact NZ-OE1 3.27Å | ||
| 10 | S | 61.7 | Low | 58.4 | Low | 60 Ų | 60 | 149.5 Ų | 149.5 | 42% | 0.42 | 75% | 0.751 | S | S | . | * | trans | -64.6 | 122.6 | 179.3 | -53.8 | 0 | 0 | 0 | 0 | 107.6 | G8 I12 L13 E14 | G8-S10 PolarHBondContact O-N 3.24Å; S10-I12 PolarHBondContact O-N 3.01Å; S10-L13 WeakPolarHBondContact O-CA 3.45Å; S10-L13 WeakPolarHBondContact O-CB 3.43Å; S10-L13 PolarHBondContact O-N 3.33Å; S10-E14 PolarHBondContact O-N 3.08Å | ||
| 11 | A | 65.6 | Low | 59.2 | Low | 84 Ų | 84 | 150.5 Ų | 150.5 | 69% | 0.694 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -55.2 | -23.3 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | K9 R15 | K9-A11 PolarHBondContact O-N 3.04Å; A11-R15 PolarHBondContact O-N 3.37Å; A11-R15 VanDerWaalsContact O-N 3.1Å |
| 12 | I | 66.5 | Low | 61.3 | Low | 142 Ų | 142 | 144.9 Ų | 144.9 | 73% | 0.728 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -71.1 | -29.2 | 174.2 | -155.6 | 154.4 | 0 | 0 | 0 | 113.5 | S10 | S10-I12 PolarHBondContact O-N 3.01Å |
| 13 | L | 66.1 | Low | 63.6 | Low | 145 Ų | 145 | 145.3 Ų | 145.3 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -85.5 | -20.8 | 176.8 | -60 | 176.5 | 0 | 0 | 0 | 112.1 | S10 | S10-L13 WeakPolarHBondContact O-CA 3.45Å; S10-L13 WeakPolarHBondContact O-CB 3.43Å; S10-L13 PolarHBondContact O-N 3.33Å |
| 14 | E | 67.9 | Low | 65.7 | Low | 119 Ų | 119 | 144.4 Ų | 144.4 | 56% | 0.556 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -91.8 | -9.6 | 173.5 | -62.5 | -145.7 | 157.1 | 0 | 0 | 113 | K9 S10 S16 | K9-E14 HydrophobicContact CB-CG 4.28Å; K9-E14 WeakPolarHBondContact CD-OE1 3.35Å; K9-E14 VanDerWaalsContact CE-OE1 3.3Å; K9-E14 WeakPolarHBondContact CE-OE1 3.09Å; K9-E14 WeakPolarHBondContact CG-OE1 3.42Å; K9-E14 IonicContact NZ-OE1 2.75Å; K9-E14 PolarHBondContact NZ-OE1 3.27Å; S10-E14 PolarHBondContact O-N 3.08Å; E14-S16 PolarHBondContact O-N 2.63Å |
| 15 | R | 64.4 | Low | 67.6 | Low | 181 Ų | 181 | 137.4 Ų | 137.4 | 68% | 0.683 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -71.3 | 121.7 | 175.8 | -172.7 | 173.5 | 175.7 | 162.7 | 0.5 | 109.1 | A11 L17 | A11-R15 PolarHBondContact O-N 3.37Å; A11-R15 VanDerWaalsContact O-N 3.1Å; R15-L17 PolarHBondContact O-N 3.15Å |
| 16 | S | 63.7 | Low | 69 | Low | 76 Ų | 76 | 132 Ų | 132 | 53% | 0.531 | 69% | 0.694 | S | S | . | * | trans | -52.6 | 128.8 | 171.6 | -173.8 | 0 | 0 | 0 | 0 | 110 | E14 T18 | E14-S16 PolarHBondContact O-N 2.63Å; S16-T18 WeakPolarHBondContact CB-OG1 3.39Å; S16-T18 PolarHBondContact O-N 3.2Å; S16-T18 VanDerWaalsContact O-N 3.07Å; S16-T18 PolarHBondContact OG-N 3.47Å; S16-T18 PolarHBondContact OG-OG1 3.16Å | ||
| 17 | L | 65.5 | Low | 70.6 | Confident | 181 Ų | 181 | 129 Ų | 129 | 95% | 0.948 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -61.9 | -13.7 | 175.7 | -66.9 | 172.6 | 0 | 0 | 0 | 112.2 | R15 R19 | R15-L17 PolarHBondContact O-N 3.15Å; L17-R19 PolarHBondContact O-N 3.24Å; L17-R19 VanDerWaalsContact O-N 3.11Å |
| 18 | T | 66.1 | Low | 72.2 | Confident | 103 Ų | 103 | 119.5 Ų | 119.5 | 63% | 0.632 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -67.7 | 108.1 | 174.7 | 55.3 | 0 | 0 | 0 | 0 | 110.2 | S16 | S16-T18 WeakPolarHBondContact CB-OG1 3.39Å; S16-T18 PolarHBondContact O-N 3.2Å; S16-T18 VanDerWaalsContact O-N 3.07Å; S16-T18 PolarHBondContact OG-N 3.47Å; S16-T18 PolarHBondContact OG-OG1 3.16Å |
| 19 | R | 67.6 | Low | 73.6 | Confident | 233 Ų | 233 | 120.7 Ų | 120.7 | 88% | 0.879 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 136.9 | 163.9 | -95.3 | -175.4 | 179.9 | -162.5 | 0.5 | 109.4 | L17 K21 | L17-R19 PolarHBondContact O-N 3.24Å; L17-R19 VanDerWaalsContact O-N 3.11Å; R19-K21 PolarHBondContact O-N 3.03Å |
| 20 | P | 70.3 | Confident | 74.9 | Confident | 95 Ų | 95 | 113.7 Ų | 113.7 | 62% | 0.617 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -55 | 140.4 | 169.9 | -20.1 | 30.6 | 0 | 0 | 0 | 109.8 | T22 | P20-T22 PolarHBondContact O-N 2.92Š|
| 21 | K | 74.9 | Confident | 76 | Confident | 170 Ų | 170 | 116.7 Ų | 116.7 | 74% | 0.739 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 123.1 | 172 | -67.8 | -177.4 | -179.4 | -179.3 | 0 | 108 | R19 | R19-K21 PolarHBondContact O-N 3.03Š|
| 22 | T | 85.9 | Confident | 77.2 | Confident | 122 Ų | 122 | 117.9 Ų | 117.9 | 75% | 0.748 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 132.2 | 171.7 | -52.7 | 0 | 0 | 0 | 0 | 108.1 | P20 | P20-T22 PolarHBondContact O-N 2.92Š|
| 23 | E | 84.9 | Confident | 78.3 | Confident | 190 Ų | 190 | 111.1 Ų | 111.1 | 89% | 0.888 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 137 | 173.2 | -63.9 | -171.9 | 170.8 | 0 | 0 | 109.7 | ||
| 24 | V | 87.7 | Confident | 79.3 | Confident | 111 Ų | 111 | 106.2 Ų | 106.2 | 67% | 0.673 | 56% | 0.562 | S | S | * | * | trans | -123.1 | 141.4 | 178.8 | 180 | 0 | 0 | 0 | 0 | 107.3 | V26 A28 | V24-V26 PolarHBondContact O-N 2.9Å; V24-A28 HydrophobicContact CG1-CB 3.76Å | ||
| 25 | S | 87 | Confident | 80.3 | Confident | 76 Ų | 76 | 106 Ų | 106 | 53% | 0.531 | 56% | 0.561 | S | S | . | * | trans | -58.3 | 134.4 | 175.4 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | S27 A28 | S25-S27 PolarHBondContact O-N 3.11Å; S25-S27 PolarHBondContact OG-N 2.61Å; S25-A28 VanDerWaalsContact O-CB 3.29Å; S25-A28 WeakPolarHBondContact O-CB 3.45Å; S25-A28 PolarHBondContact O-N 3.25Å | ||
| 26 | V | 81.6 | Confident | 81.5 | Confident | 86 Ų | 86 | 99.9 Ų | 99.9 | 52% | 0.521 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -50 | -38.5 | 172.2 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | V24 A28 F29 A30 F127 | V24-V26 PolarHBondContact O-N 2.9Å; V26-A28 VanDerWaalsContact C-N 3.25Å; V26-A28 PolarHBondContact O-N 3.48Å; V26-F29 PolarHBondContact O-N 3.18Å; V26-A30 PolarHBondContact O-N 2.91Å; V26-A30 VanDerWaalsContact O-N 3.11Å; V26-F127 HydrophobicContact CG1-CD1 3.43Å; V26-F127 VanDerWaalsContact CG1-CD1 3.43Å; V26-F127 HydrophobicContact CG1-CE1 3.68Å |
| 27 | S | 84.3 | Confident | 82.7 | Confident | 72 Ų | 72 | 96.8 Ų | 96.8 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -27 | 177.9 | -50.2 | 0 | 0 | 0 | 0 | 113.5 | S25 A30 L31 | S25-S27 PolarHBondContact O-N 3.11Å; S25-S27 PolarHBondContact OG-N 2.61Å; S27-A30 WeakPolarHBondContact O-CB 3.28Å; S27-A30 PolarHBondContact O-N 3.43Å; S27-L31 WeakPolarHBondContact O-CB 3.46Å; S27-L31 VanDerWaalsContact O-CG 3.25Å; S27-L31 WeakPolarHBondContact O-CG 3.46Å; S27-L31 PolarHBondContact O-N 3.26Å |
| 28 | A | 89.4 | Confident | 83.8 | Confident | 48 Ų | 48 | 92.6 Ų | 92.6 | 40% | 0.397 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.8 | -43.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V24 S25 V26 L32 | V24-A28 HydrophobicContact CG1-CB 3.76Å; S25-A28 VanDerWaalsContact O-CB 3.29Å; S25-A28 WeakPolarHBondContact O-CB 3.45Å; S25-A28 PolarHBondContact O-N 3.25Å; V26-A28 VanDerWaalsContact C-N 3.25Å; V26-A28 PolarHBondContact O-N 3.48Å; A28-L32 WeakPolarHBondContact O-CB 3.44Å; A28-L32 PolarHBondContact O-N 3.09Å |
| 29 | F | 87.1 | Confident | 85 | Confident | 82 Ų | 82 | 93.8 Ų | 93.8 | 36% | 0.36 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 173.8 | 175.1 | -101.9 | 0 | 0 | 0 | 111.2 | V26 L31 L32 F33 I124 F127 | V26-F29 PolarHBondContact O-N 3.18Å; F29-L31 PolarHBondContact O-N 3.19Å; F29-L32 PolarHBondContact O-N 3.31Å; F29-F33 HydrophobicContact CE1-CB 4.34Å; F29-F33 HydrophobicContact CE2-CB 4.5Å; F29-F33 HydrophobicContact CZ-CB 4.23Å; F29-F33 HydrophobicContact CZ-CD2 4.16Å; F29-F33 HydrophobicContact CZ-CG 4.25Å; F29-F33 VanDerWaalsContact O-CB 3.24Å; F29-F33 WeakPolarHBondContact O-CB 3.49Å; F29-F33 PolarHBondContact O-N 2.85Å; F29-I124 HydrophobicContact CE1-CD1 4.09Å; F29-I124 HydrophobicContact CZ-CD1 4.46Å; F29-F127 HydrophobicContact CD1-CB 4.11Å; F29-F127 AromaticContact CD1-CD1 3.89Å; F29-F127 HydrophobicContact CD1-CD1 3.89Å; F29-F127 HydrophobicContact CD1-CD2 4.18Å; F29-F127 HydrophobicContact CD1-CE1 4.41Å; F29-F127 AromaticContact CD1-CG 3.78Å; F29-F127 HydrophobicContact CD1-CG 3.78Å; F29-F127 HydrophobicContact CE1-CB 4.37Å; F29-F127 HydrophobicContact CE1-CD1 4.49Å; F29-F127 AromaticContact CE1-CD2 3.97Å; F29-F127 HydrophobicContact CE1-CD2 3.97Å; F29-F127 HydrophobicContact CE1-CE2 4.44Å; F29-F127 HydrophobicContact CE1-CG 4.02Å |
| 30 | A | 84.1 | Confident | 86.1 | Confident | 11 Ų | 11 | 83 Ų | 83 | 9% | 0.091 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -52.3 | -53.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | V26 S27 F33 S34 F127 I128 | V26-A30 PolarHBondContact O-N 2.91Å; V26-A30 VanDerWaalsContact O-N 3.11Å; S27-A30 WeakPolarHBondContact O-CB 3.28Å; S27-A30 PolarHBondContact O-N 3.43Å; A30-F33 PolarHBondContact O-N 3.26Å; A30-S34 WeakPolarHBondContact O-CB 3.41Å; A30-S34 PolarHBondContact O-N 2.8Å; A30-F127 HydrophobicContact CB-CB 4.03Å; A30-F127 WeakPolarHBondContact CB-O 3.36Å; A30-I128 HydrophobicContact CB-CG2 4.28Å; A30-I128 WeakPolarHBondContact O-CG2 3.34Å |
| 31 | L | 86.3 | Confident | 86.9 | Confident | 124 Ų | 124 | 82.5 Ų | 82.5 | 65% | 0.649 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.6 | -44.3 | -177.7 | -69 | 169.8 | 0 | 0 | 0 | 111.1 | S27 F29 F33 S34 E35 | S27-L31 WeakPolarHBondContact O-CB 3.46Å; S27-L31 VanDerWaalsContact O-CG 3.25Å; S27-L31 WeakPolarHBondContact O-CG 3.46Å; S27-L31 PolarHBondContact O-N 3.26Å; F29-L31 PolarHBondContact O-N 3.19Å; L31-F33 PolarHBondContact O-N 2.9Å; L31-S34 PolarHBondContact O-N 2.84Å; L31-E35 PolarHBondContact O-N 3.05Å; L31-E35 VanDerWaalsContact O-N 3.1Å |
| 32 | L | 90.9 | Very high | 87.7 | Confident | 109 Ų | 109 | 78.9 Ų | 78.9 | 57% | 0.571 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.8 | -48.4 | 176.2 | 178.2 | 65.6 | 0 | 0 | 0 | 111.4 | A28 F29 E35 M36 | A28-L32 WeakPolarHBondContact O-CB 3.44Å; A28-L32 PolarHBondContact O-N 3.09Å; F29-L32 PolarHBondContact O-N 3.31Å; L32-E35 PolarHBondContact O-N 2.78Å; L32-M36 HydrophobicContact CG-SD 4.1Å; L32-M36 VanDerWaalsContact O-CG 3.31Å; L32-M36 WeakPolarHBondContact O-CG 3.26Å; L32-M36 PolarHBondContact O-N 3.19Å |
| 33 | F | 88.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -66.5 | -39 | -178 | -172 | -99.8 | 0 | 0 | 0 | 111.7 | F29 A30 L31 E35 M36 V37 I124 I128 C139 F142 | F29-F33 HydrophobicContact CE1-CB 4.34Å; F29-F33 HydrophobicContact CE2-CB 4.5Å; F29-F33 HydrophobicContact CZ-CB 4.23Å; F29-F33 HydrophobicContact CZ-CD2 4.16Å; F29-F33 HydrophobicContact CZ-CG 4.25Å; F29-F33 VanDerWaalsContact O-CB 3.24Å; F29-F33 WeakPolarHBondContact O-CB 3.49Å; F29-F33 PolarHBondContact O-N 2.85Å; A30-F33 PolarHBondContact O-N 3.26Å; L31-F33 PolarHBondContact O-N 2.9Å; F33-E35 VanDerWaalsContact C-N 3.34Å; F33-E35 PolarHBondContact O-N 3.33Å; F33-M36 WeakPolarHBondContact O-CB 3.45Å; F33-M36 PolarHBondContact O-N 3.2Å; F33-V37 HydrophobicContact CD1-CG2 4.04Å; F33-V37 HydrophobicContact CE1-CG2 3.62Å; F33-V37 HydrophobicContact CZ-CG2 3.97Å; F33-V37 WeakPolarHBondContact O-CG2 3.5Å; F33-V37 PolarHBondContact O-N 2.86Å; F33-I124 HydrophobicContact CD1-CD1 3.57Å; F33-I124 HydrophobicContact CD1-CG1 3.7Å; F33-I124 HydrophobicContact CE1-CD1 3.4Å; F33-I124 VanDerWaalsContact CE1-CD1 3.4Å; F33-I124 HydrophobicContact CE1-CG1 3.53Å; F33-I124 HydrophobicContact CE2-CD1 4.45Å; F33-I124 HydrophobicContact CG-CD1 4.17Å; F33-I124 HydrophobicContact CZ-CD1 3.88Å; F33-I124 HydrophobicContact CZ-CG1 4.41Å; F33-I128 HydrophobicContact CD1-CD1 4.19Å; F33-I128 HydrophobicContact CE1-CD1 4.32Å; F33-C139 HydrophobicContact CE1-CB 3.82Å; F33-C139 HydrophobicContact CZ-CB 4.13Å; F33-F142 HydrophobicContact CE2-CB 3.79Å; F33-F142 AromaticContact CE2-CD1 4Å; F33-F142 HydrophobicContact CE2-CD1 4Å; F33-F142 HydrophobicContact CE2-CD2 4.01Å; F33-F142 AromaticContact CE2-CG 3.66Å; F33-F142 HydrophobicContact CE2-CG 3.66Å; F33-F142 HydrophobicContact CZ-CB 3.91Å; F33-F142 HydrophobicContact CZ-CG 4.28Å |
| 34 | S | 86.3 | Confident | 88.5 | Confident | 41 Ų | 41 | 71.1 Ų | 71.1 | 29% | 0.287 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -57.4 | -45.9 | 173.6 | -173.4 | 0 | 0 | 0 | 0 | 111.8 | A30 L31 V37 Q38 | A30-S34 WeakPolarHBondContact O-CB 3.41Å; A30-S34 PolarHBondContact O-N 2.8Å; L31-S34 PolarHBondContact O-N 2.84Å; S34-V37 PolarHBondContact O-N 2.77Å; S34-Q38 WeakPolarHBondContact O-CG 3.49Å; S34-Q38 PolarHBondContact O-N 2.78Å; S34-Q38 PolarHBondContact O-NE2 3.42Å; S34-Q38 PolarHBondContact OG-NE2 2.8Å |
| 35 | E | 89.8 | Confident | 88.6 | Confident | 114 Ų | 114 | 76.5 Ų | 76.5 | 53% | 0.533 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.6 | -37.5 | 176.4 | -74.9 | -57.5 | 122.8 | 0 | 0 | 112.5 | L31 L32 F33 V37 Q38 Y39 | L31-E35 PolarHBondContact O-N 3.05Å; L31-E35 VanDerWaalsContact O-N 3.1Å; L32-E35 PolarHBondContact O-N 2.78Å; F33-E35 VanDerWaalsContact C-N 3.34Å; F33-E35 PolarHBondContact O-N 3.33Å; E35-V37 VanDerWaalsContact C-N 3.33Å; E35-V37 PolarHBondContact O-N 3Å; E35-Q38 PolarHBondContact O-N 3.3Å; E35-Q38 PolarHBondContact OE1-NE2 2.97Å; E35-Y39 WeakPolarHBondContact O-CB 3.43Å; E35-Y39 PolarHBondContact O-N 3.31Å |
| 36 | M | 90.6 | Very high | 88.7 | Confident | 54 Ų | 54 | 75.1 Ų | 75.1 | 27% | 0.266 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 173.9 | -70.4 | 171.4 | 66.3 | 0 | 0 | 112.1 | L32 F33 C40 L57 | L32-M36 HydrophobicContact CG-SD 4.1Å; L32-M36 VanDerWaalsContact O-CG 3.31Å; L32-M36 WeakPolarHBondContact O-CG 3.26Å; L32-M36 PolarHBondContact O-N 3.19Å; F33-M36 WeakPolarHBondContact O-CB 3.45Å; F33-M36 PolarHBondContact O-N 3.2Å; M36-C40 WeakPolarHBondContact O-CB 3.27Å; M36-C40 PolarHBondContact O-N 2.99Å; M36-C40 PolarHBondContact O-SG 2.84Å; M36-L57 HydrophobicContact CE-CB 4.44Å; M36-L57 HydrophobicContact CE-CD1 3.8Å |
| 37 | V | 88.3 | Confident | 88.8 | Confident | 10 Ų | 10 | 74 Ų | 74 | 6% | 0.061 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.6 | -49.7 | 176.8 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | F33 S34 E35 Y39 C40 Q41 L54 L137 | F33-V37 HydrophobicContact CD1-CG2 4.04Å; F33-V37 HydrophobicContact CE1-CG2 3.62Å; F33-V37 HydrophobicContact CZ-CG2 3.97Å; F33-V37 WeakPolarHBondContact O-CG2 3.5Å; F33-V37 PolarHBondContact O-N 2.86Å; S34-V37 PolarHBondContact O-N 2.77Å; E35-V37 VanDerWaalsContact C-N 3.33Å; E35-V37 PolarHBondContact O-N 3Å; V37-Y39 VanDerWaalsContact C-N 3.34Å; V37-Y39 PolarHBondContact O-N 2.88Å; V37-C40 PolarHBondContact O-N 3.27Å; V37-Q41 WeakPolarHBondContact O-CB 3.43Å; V37-Q41 PolarHBondContact O-N 3.33Å; V37-L54 HydrophobicContact CG2-CD1 4.22Å; V37-L54 HydrophobicContact CG2-CD2 4Å; V37-L137 HydrophobicContact CG1-CD1 4.2Å; V37-L137 HydrophobicContact CG1-CD2 4.11Å |
| 38 | Q | 87.3 | Confident | 89 | Confident | 93 Ų | 93 | 74.6 Ų | 74.6 | 44% | 0.435 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60 | -43.5 | 177.7 | -72 | 176 | 72.1 | 0 | 0 | 111.9 | S34 E35 C40 Q41 S42 | S34-Q38 WeakPolarHBondContact O-CG 3.49Å; S34-Q38 PolarHBondContact O-N 2.78Å; S34-Q38 PolarHBondContact O-NE2 3.42Å; S34-Q38 PolarHBondContact OG-NE2 2.8Å; E35-Q38 PolarHBondContact O-N 3.3Å; E35-Q38 PolarHBondContact OE1-NE2 2.97Å; Q38-C40 PolarHBondContact O-N 2.68Å; Q38-Q41 PolarHBondContact O-N 3.35Å; Q38-S42 PolarHBondContact O-N 3.19Å |
| 39 | Y | 91.8 | Very high | 89.1 | Confident | 128 Ų | 128 | 76 Ų | 76 | 50% | 0.502 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.2 | -47.1 | 175.4 | 172.5 | -96.5 | 0 | 0 | 0 | 112 | E35 V37 S42 R43 | E35-Y39 WeakPolarHBondContact O-CB 3.43Å; E35-Y39 PolarHBondContact O-N 3.31Å; V37-Y39 VanDerWaalsContact C-N 3.34Å; V37-Y39 PolarHBondContact O-N 2.88Å; Y39-S42 PolarHBondContact O-OG 3.39Å; Y39-R43 VanDerWaalsContact CE2-NH1 3.35Å; Y39-R43 PolarHBondContact OH-NH1 2.86Å |
| 40 | C | 91.1 | Very high | 89.2 | Confident | 6 Ų | 6 | 72.3 Ų | 72.3 | 4% | 0.041 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.1 | -42 | 177.3 | -67.2 | 0 | 0 | 0 | 0 | 111.4 | M36 V37 Q38 S42 R43 V44 L50 R53 | M36-C40 WeakPolarHBondContact O-CB 3.27Å; M36-C40 PolarHBondContact O-N 2.99Å; M36-C40 PolarHBondContact O-SG 2.84Å; V37-C40 PolarHBondContact O-N 3.27Å; Q38-C40 PolarHBondContact O-N 2.68Å; C40-S42 VanDerWaalsContact C-N 3.29Å; C40-S42 PolarHBondContact O-N 3.01Å; C40-R43 PolarHBondContact O-N 2.85Å; C40-V44 WeakPolarHBondContact O-CG2 3.45Å; C40-L50 HydrophobicContact CB-CD1 3.45Å; C40-L50 VanDerWaalsContact CB-CD1 3.45Å; C40-R53 HydrophobicContact CB-CB 4.5Å |
| 41 | Q | 87.3 | Confident | 89.5 | Confident | 86 Ų | 86 | 74 Ų | 74 | 40% | 0.402 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.9 | -37.7 | -179.8 | -171.4 | 178 | 31.8 | 0 | 0 | 112.1 | V37 Q38 R43 L50 | V37-Q41 WeakPolarHBondContact O-CB 3.43Å; V37-Q41 PolarHBondContact O-N 3.33Å; Q38-Q41 PolarHBondContact O-N 3.35Å; Q41-R43 PolarHBondContact O-N 2.9Å; Q41-L50 HydrophobicContact CB-CD1 4.33Å; Q41-L50 HydrophobicContact CB-CD2 4.32Å; Q41-L50 HydrophobicContact CG-CD2 4.45Å |
| 42 | S | 91 | Very high | 89.8 | Confident | 93 Ų | 93 | 70.6 Ų | 70.6 | 65% | 0.65 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -6.3 | 177.3 | 72.4 | 0 | 0 | 0 | 0 | 114.9 | Q38 Y39 C40 | Q38-S42 PolarHBondContact O-N 3.19Å; Y39-S42 PolarHBondContact O-OG 3.39Å; C40-S42 VanDerWaalsContact C-N 3.29Å; C40-S42 PolarHBondContact O-N 3.01Å |
| 43 | R | 94.1 | Very high | 90 | Very high | 128 Ų | 128 | 71.1 Ų | 71.1 | 48% | 0.483 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | 15 | -170.2 | -62.6 | 177.6 | 179.8 | -168.7 | 1.8 | 113.9 | Y39 C40 Q41 | Y39-R43 VanDerWaalsContact CE2-NH1 3.35Å; Y39-R43 PolarHBondContact OH-NH1 2.86Å; C40-R43 PolarHBondContact O-N 2.85Å; Q41-R43 PolarHBondContact O-N 2.9Å |
| 44 | V | 93.3 | Very high | 90.2 | Very high | 22 Ų | 22 | 71.2 Ų | 71.2 | 13% | 0.133 | 36% | 0.355 | C | S | . | . | trans | -134.8 | 152.8 | -179.4 | -65.2 | 0 | 0 | 0 | 0 | 109.5 | C40 E49 L50 R53 | C40-V44 WeakPolarHBondContact O-CG2 3.45Å; V44-E49 HydrophobicContact CB-CB 3.77Å; V44-E49 HydrophobicContact CG1-CB 3.88Å; V44-L50 HydrophobicContact CG2-CB 3.88Å; V44-L50 HydrophobicContact CG2-CD1 4.4Å; V44-R53 HydrophobicContact CG1-CG 4.14Å; V44-R53 VanDerWaalsContact CG1-NE 3.34Å | ||
| 45 | Y | 90.1 | Very high | 90.6 | Very high | 223 Ų | 223 | 70.2 Ų | 70.2 | 88% | 0.875 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -100.2 | -10.1 | -176.3 | -58.5 | -80.6 | 0 | 0 | 0 | 112.8 | E49 | Y45-E49 PolarHBondContact N-OE2 2.96Š|
| 46 | S | 88.6 | Confident | 90.9 | Very high | 47 Ų | 47 | 69.6 Ų | 69.6 | 33% | 0.329 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -145.4 | 157.6 | -176.9 | 68.4 | 0 | 0 | 0 | 0 | 113 | S48 E49 L50 | S46-S48 PolarHBondContact O-N 2.93Å; S46-E49 PolarHBondContact O-N 2.92Å; S46-E49 WeakPolarHBondContact OG-CG 3.17Å; S46-E49 PolarHBondContact OG-N 2.82Å; S46-E49 PolarHBondContact OG-OE1 3.25Å; S46-E49 VanDerWaalsContact OG-OE1 3.05Å; S46-L50 PolarHBondContact O-N 3.41Å |
| 47 | V | 84.9 | Confident | 91.2 | Very high | 63 Ų | 63 | 70.5 Ų | 70.5 | 38% | 0.382 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.8 | -33.1 | 173.3 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | L50 Q51 | V47-L50 WeakPolarHBondContact O-CB 3.4Å; V47-L50 PolarHBondContact O-N 3.04Å; V47-Q51 HydrophobicContact CG1-CG 4.49Å; V47-Q51 WeakPolarHBondContact O-CG 3.46Å; V47-Q51 PolarHBondContact O-N 2.8Å |
| 48 | S | 88.4 | Confident | 91.5 | Very high | 84 Ų | 84 | 70 Ų | 70 | 59% | 0.587 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.3 | -44.9 | 177.2 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | S46 L50 Q51 A52 | S46-S48 PolarHBondContact O-N 2.93Å; S48-L50 VanDerWaalsContact C-N 3.33Å; S48-L50 PolarHBondContact O-N 2.96Å; S48-Q51 PolarHBondContact O-N 3.35Å; S48-A52 PolarHBondContact O-N 3.3Å |
| 49 | E | 91.9 | Very high | 92 | Very high | 78 Ų | 78 | 68.6 Ų | 68.6 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 173.6 | -76.6 | 163.5 | -127.2 | 0 | 0 | 112.3 | V44 Y45 S46 A52 R53 | V44-E49 HydrophobicContact CB-CB 3.77Å; V44-E49 HydrophobicContact CG1-CB 3.88Å; Y45-E49 PolarHBondContact N-OE2 2.96Å; S46-E49 PolarHBondContact O-N 2.92Å; S46-E49 WeakPolarHBondContact OG-CG 3.17Å; S46-E49 PolarHBondContact OG-N 2.82Å; S46-E49 PolarHBondContact OG-OE1 3.25Å; S46-E49 VanDerWaalsContact OG-OE1 3.05Å; E49-A52 PolarHBondContact O-N 2.87Å; E49-R53 PolarHBondContact O-N 3.39Å |
| 50 | L | 89.6 | Confident | 92.2 | Very high | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.9 | -49.2 | 174.3 | 179.3 | 56.8 | 0 | 0 | 0 | 111 | C40 Q41 V44 S46 V47 S48 A52 R53 L54 L137 | C40-L50 HydrophobicContact CB-CD1 3.45Å; C40-L50 VanDerWaalsContact CB-CD1 3.45Å; Q41-L50 HydrophobicContact CB-CD1 4.33Å; Q41-L50 HydrophobicContact CB-CD2 4.32Å; Q41-L50 HydrophobicContact CG-CD2 4.45Å; V44-L50 HydrophobicContact CG2-CB 3.88Å; V44-L50 HydrophobicContact CG2-CD1 4.4Å; S46-L50 PolarHBondContact O-N 3.41Å; V47-L50 WeakPolarHBondContact O-CB 3.4Å; V47-L50 PolarHBondContact O-N 3.04Å; S48-L50 VanDerWaalsContact C-N 3.33Å; S48-L50 PolarHBondContact O-N 2.96Å; L50-A52 VanDerWaalsContact C-N 3.33Å; L50-A52 PolarHBondContact O-N 3.04Å; L50-R53 PolarHBondContact O-N 3.14Å; L50-L54 HydrophobicContact CD1-CD1 4.29Å; L50-L54 HydrophobicContact CD1-CG 4.29Å; L50-L54 HydrophobicContact CG-CD1 4.21Å; L50-L54 WeakPolarHBondContact O-CG 3.32Å; L50-L54 PolarHBondContact O-N 3.05Å; L50-L137 HydrophobicContact CD2-CD1 3.54Å; L50-L137 HydrophobicContact CD2-CG 3.88Å |
| 51 | Q | 89.3 | Confident | 92.5 | Very high | 48 Ų | 48 | 67.6 Ų | 67.6 | 22% | 0.224 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61 | -42 | 177.5 | -72.9 | 173.5 | -31.6 | 0 | 0 | 111.8 | V47 S48 L54 A55 N138 A141 | V47-Q51 HydrophobicContact CG1-CG 4.49Å; V47-Q51 WeakPolarHBondContact O-CG 3.46Å; V47-Q51 PolarHBondContact O-N 2.8Å; S48-Q51 PolarHBondContact O-N 3.35Å; Q51-L54 PolarHBondContact O-N 3.18Å; Q51-A55 WeakPolarHBondContact O-CB 3.31Å; Q51-A55 PolarHBondContact O-N 2.94Å; Q51-N138 VanDerWaalsContact NE2-CB 3.31Å; Q51-A141 HydrophobicContact CB-CB 3.72Å; Q51-A141 HydrophobicContact CG-CB 3.93Å; Q51-A141 WeakPolarHBondContact O-CB 3.39Å |
| 52 | A | 93.2 | Very high | 92.9 | Very high | 51 Ų | 51 | 63.5 Ų | 63.5 | 42% | 0.421 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.1 | -49 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S48 E49 L50 L54 A55 D56 | S48-A52 PolarHBondContact O-N 3.3Å; E49-A52 PolarHBondContact O-N 2.87Å; L50-A52 VanDerWaalsContact C-N 3.33Å; L50-A52 PolarHBondContact O-N 3.04Å; A52-L54 VanDerWaalsContact C-N 3.34Å; A52-L54 PolarHBondContact O-N 2.93Å; A52-A55 WeakPolarHBondContact O-CB 3.37Å; A52-A55 PolarHBondContact O-N 2.91Å; A52-A55 VanDerWaalsContact O-N 3.15Å; A52-D56 VanDerWaalsContact O-CG 3.29Å; A52-D56 PolarHBondContact O-N 2.95Å |
| 53 | R | 94.5 | Very high | 93.2 | Very high | 121 Ų | 121 | 60.4 Ų | 60.4 | 46% | 0.457 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 176.2 | -77.5 | -165.3 | -176.9 | -96.7 | 4.4 | 112.8 | C40 V44 E49 L50 A55 D56 L57 | C40-R53 HydrophobicContact CB-CB 4.5Å; V44-R53 HydrophobicContact CG1-CG 4.14Å; V44-R53 VanDerWaalsContact CG1-NE 3.34Å; E49-R53 PolarHBondContact O-N 3.39Å; L50-R53 PolarHBondContact O-N 3.14Å; R53-A55 VanDerWaalsContact C-N 3.34Å; R53-D56 PolarHBondContact O-N 3.31Å; R53-L57 WeakPolarHBondContact O-CG 3.31Å; R53-L57 PolarHBondContact O-N 3.38Å; R53-L57 VanDerWaalsContact O-N 3.13Å |
| 54 | L | 92.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 176.4 | -71.1 | 175.6 | 0 | 0 | 0 | 111.3 | V37 L50 Q51 A52 L57 G58 A141 F142 | V37-L54 HydrophobicContact CG2-CD1 4.22Å; V37-L54 HydrophobicContact CG2-CD2 4Å; L50-L54 HydrophobicContact CD1-CD1 4.29Å; L50-L54 HydrophobicContact CD1-CG 4.29Å; L50-L54 HydrophobicContact CG-CD1 4.21Å; L50-L54 WeakPolarHBondContact O-CG 3.32Å; L50-L54 PolarHBondContact O-N 3.05Å; Q51-L54 PolarHBondContact O-N 3.18Å; A52-L54 VanDerWaalsContact C-N 3.34Å; A52-L54 PolarHBondContact O-N 2.93Å; L54-L57 PolarHBondContact O-N 3.36Å; L54-G58 PolarHBondContact O-N 3.31Å; L54-A141 HydrophobicContact CB-CB 4.34Å; L54-F142 HydrophobicContact CB-CB 4.33Å; L54-F142 WeakPolarHBondContact O-CA 3.44Å; L54-F142 WeakPolarHBondContact O-CD2 3.34Å |
| 55 | A | 94.7 | Very high | 93.3 | Very high | 21 Ų | 21 | 59.1 Ų | 59.1 | 17% | 0.174 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q51 A52 R53 L57 G58 Q59 A141 G145 | Q51-A55 WeakPolarHBondContact O-CB 3.31Å; Q51-A55 PolarHBondContact O-N 2.94Å; A52-A55 WeakPolarHBondContact O-CB 3.37Å; A52-A55 PolarHBondContact O-N 2.91Å; A52-A55 VanDerWaalsContact O-N 3.15Å; R53-A55 VanDerWaalsContact C-N 3.34Å; A55-L57 VanDerWaalsContact C-N 3.34Å; A55-L57 PolarHBondContact O-N 3.43Å; A55-G58 CarbonylContact O-C 3.6Å; A55-G58 WeakPolarHBondContact O-CA 3.18Å; A55-G58 PolarHBondContact O-N 3.46Å; A55-G58 VanDerWaalsContact O-N 3.08Å; A55-Q59 WeakPolarHBondContact O-CG 3.49Å; A55-Q59 PolarHBondContact O-N 3.33Å; A55-A141 WeakPolarHBondContact CA-O 3.16Å; A55-A141 WeakPolarHBondContact CB-O 3.5Å; A55-G145 VanDerWaalsContact O-CA 3.28Å; A55-G145 WeakPolarHBondContact O-CA 3.48Å |
| 56 | D | 96.4 | Very high | 93.6 | Very high | 100 Ų | 100 | 49.1 Ų | 49.1 | 54% | 0.535 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 176.6 | -65.5 | -22.2 | 0 | 0 | 0 | 112.1 | A52 R53 G58 Q59 G60 | A52-D56 VanDerWaalsContact O-CG 3.29Å; A52-D56 PolarHBondContact O-N 2.95Å; R53-D56 PolarHBondContact O-N 3.31Å; D56-G58 VanDerWaalsContact C-N 3.32Å; D56-G58 PolarHBondContact O-N 3.48Å; D56-Q59 PolarHBondContact O-N 2.91Å; D56-Q59 PolarHBondContact OD1-NE2 3.15Å; D56-G60 PolarHBondContact O-N 3.37Å |
| 57 | L | 95.8 | Very high | 93.8 | Very high | 74 Ų | 74 | 51.8 Ų | 51.8 | 39% | 0.387 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 173.3 | -66.7 | 172 | 0 | 0 | 0 | 111.7 | M36 R53 L54 A55 Q59 G60 F142 | M36-L57 HydrophobicContact CE-CB 4.44Å; M36-L57 HydrophobicContact CE-CD1 3.8Å; R53-L57 WeakPolarHBondContact O-CG 3.31Å; R53-L57 PolarHBondContact O-N 3.38Å; R53-L57 VanDerWaalsContact O-N 3.13Å; L54-L57 PolarHBondContact O-N 3.36Å; A55-L57 VanDerWaalsContact C-N 3.34Å; A55-L57 PolarHBondContact O-N 3.43Å; L57-Q59 VanDerWaalsContact C-N 3.35Å; L57-G60 PolarHBondContact O-N 3.44Å; L57-F142 HydrophobicContact CB-CD2 4.24Å; L57-F142 HydrophobicContact CB-CE2 4.21Å |
| 58 | G | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.4 | -39 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | L54 A55 D56 G60 V61 G62 F142 V146 | L54-G58 PolarHBondContact O-N 3.31Å; A55-G58 CarbonylContact O-C 3.6Å; A55-G58 WeakPolarHBondContact O-CA 3.18Å; A55-G58 PolarHBondContact O-N 3.46Å; A55-G58 VanDerWaalsContact O-N 3.08Å; D56-G58 VanDerWaalsContact C-N 3.32Å; D56-G58 PolarHBondContact O-N 3.48Å; G58-G60 VanDerWaalsContact C-N 3.33Å; G58-G60 PolarHBondContact O-N 3.35Å; G58-V61 PolarHBondContact O-N 3Å; G58-V61 VanDerWaalsContact O-N 3.14Å; G58-G62 PolarHBondContact O-N 3.26Å; G58-F142 VanDerWaalsContact CA-CE2 3.5Å; G58-F142 WeakPolarHBondContact CA-O 3.39Å; G58-V146 WeakPolarHBondContact O-CA 3.41Å; G58-V146 VanDerWaalsContact O-CG2 3.25Å; G58-V146 WeakPolarHBondContact O-CG2 3.32Å; G58-V146 PolarHBondContact O-N 3.06Å |
| 59 | Q | 97.6 | Very high | 94.5 | Very high | 63 Ų | 63 | 48.1 Ų | 48.1 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60 | -42 | 179.4 | -74.8 | 177.9 | 59.7 | 0 | 0 | 112.3 | A55 D56 L57 V61 G62 A63 G145 A149 | A55-Q59 WeakPolarHBondContact O-CG 3.49Å; A55-Q59 PolarHBondContact O-N 3.33Å; D56-Q59 PolarHBondContact O-N 2.91Å; D56-Q59 PolarHBondContact OD1-NE2 3.15Å; L57-Q59 VanDerWaalsContact C-N 3.35Å; Q59-V61 VanDerWaalsContact C-N 3.3Å; Q59-V61 PolarHBondContact O-N 3.46Å; Q59-G62 PolarHBondContact O-N 2.93Å; Q59-A63 PolarHBondContact O-N 3.31Å; Q59-G145 WeakPolarHBondContact CA-O 3.13Å; Q59-G145 VanDerWaalsContact CG-O 3.28Å; Q59-G145 WeakPolarHBondContact CG-O 3.46Å; Q59-A149 HydrophobicContact CB-CB 3.99Å; Q59-A149 HydrophobicContact CG-CB 4.17Å; Q59-A149 VanDerWaalsContact O-CB 3.23Å; Q59-A149 WeakPolarHBondContact O-CB 3.33Å |
| 60 | G | 96.4 | Very high | 94.6 | Very high | 46 Ų | 46 | 45.6 Ų | 45.6 | 47% | 0.474 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.2 | -39.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | D56 L57 G58 S64 | D56-G60 PolarHBondContact O-N 3.37Å; L57-G60 PolarHBondContact O-N 3.44Å; G58-G60 VanDerWaalsContact C-N 3.33Å; G58-G60 PolarHBondContact O-N 3.35Å; G60-S64 PolarHBondContact O-OG 2.82Å |
| 61 | V | 96.3 | Very high | 94.7 | Very high | 67 Ų | 67 | 51.3 Ų | 51.3 | 41% | 0.406 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.9 | -45.1 | 175 | 177.5 | 0 | 0 | 0 | 0 | 110.9 | G58 Q59 A63 S64 L65 F142 V146 | G58-V61 PolarHBondContact O-N 3Å; G58-V61 VanDerWaalsContact O-N 3.14Å; Q59-V61 VanDerWaalsContact C-N 3.3Å; Q59-V61 PolarHBondContact O-N 3.46Å; V61-A63 PolarHBondContact O-N 2.94Å; V61-S64 PolarHBondContact O-N 2.88Å; V61-L65 VanDerWaalsContact O-CB 3.29Å; V61-L65 WeakPolarHBondContact O-CB 3.23Å; V61-L65 PolarHBondContact O-N 3.14Å; V61-F142 HydrophobicContact CB-CZ 4.42Å; V61-F142 HydrophobicContact CG2-CE2 4.42Å; V61-F142 HydrophobicContact CG2-CZ 4.02Å; V61-V146 HydrophobicContact CB-CG2 4.3Å; V61-V146 HydrophobicContact CG1-CG2 4.43Å |
| 62 | G | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60 | -41.7 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | G58 Q59 S64 L65 L66 I150 | G58-G62 PolarHBondContact O-N 3.26Å; Q59-G62 PolarHBondContact O-N 2.93Å; G62-S64 VanDerWaalsContact C-N 3.31Å; G62-S64 PolarHBondContact O-N 3.36Å; G62-L65 PolarHBondContact O-N 3.18Å; G62-L66 PolarHBondContact O-N 3.08Å; G62-L66 VanDerWaalsContact O-N 3.12Å; G62-I150 WeakPolarHBondContact O-CG1 3.37Å |
| 63 | A | 96.1 | Very high | 94.4 | Very high | 28 Ų | 28 | 56.9 Ų | 56.9 | 23% | 0.231 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.7 | -42.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q59 V61 | Q59-A63 PolarHBondContact O-N 3.31Å; V61-A63 PolarHBondContact O-N 2.94Å |
| 64 | S | 95.8 | Very high | 94.1 | Very high | 87 Ų | 87 | 54.2 Ų | 54.2 | 61% | 0.608 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -76.4 | -31.7 | 178.2 | -57.7 | 0 | 0 | 0 | 0 | 112.8 | G60 V61 G62 | G60-S64 PolarHBondContact O-OG 2.82Å; V61-S64 PolarHBondContact O-N 2.88Å; G62-S64 VanDerWaalsContact C-N 3.31Å; G62-S64 PolarHBondContact O-N 3.36Å |
| 65 | L | 94.9 | Very high | 94 | Very high | 36 Ų | 36 | 61.4 Ų | 61.4 | 19% | 0.188 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -72.2 | -34.1 | -175.7 | -174 | 62.1 | 0 | 0 | 0 | 112.3 | V61 G62 D67 V68 L69 V93 L97 V146 I150 | V61-L65 VanDerWaalsContact O-CB 3.29Å; V61-L65 WeakPolarHBondContact O-CB 3.23Å; V61-L65 PolarHBondContact O-N 3.14Å; G62-L65 PolarHBondContact O-N 3.18Å; L65-D67 PolarHBondContact O-N 3.03Å; L65-V68 PolarHBondContact O-N 2.85Å; L65-L69 HydrophobicContact CD1-CD1 4.01Å; L65-L69 HydrophobicContact CD1-CD2 4.33Å; L65-L69 HydrophobicContact CD1-CG 3.9Å; L65-L69 HydrophobicContact CD2-CD1 4.11Å; L65-L69 HydrophobicContact CG-CD1 3.71Å; L65-L69 HydrophobicContact CG-CG 4.01Å; L65-L69 WeakPolarHBondContact O-CG 3.31Å; L65-L69 PolarHBondContact O-N 3.41Å; L65-V93 HydrophobicContact CD2-CG1 4.49Å; L65-L97 HydrophobicContact CD2-CD2 4.13Å; L65-V146 HydrophobicContact CD2-CG1 4.25Å; L65-I150 HydrophobicContact CD2-CD1 4.4Å |
| 66 | L | 95.9 | Very high | 93.7 | Very high | 13 Ų | 13 | 62.2 Ų | 62.2 | 7% | 0.068 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -51.8 | -59.3 | -177.5 | 173.4 | 57.7 | 0 | 0 | 0 | 112.4 | G62 V68 L69 V70 F88 I150 H153 S154 | G62-L66 PolarHBondContact O-N 3.08Å; G62-L66 VanDerWaalsContact O-N 3.12Å; L66-V68 VanDerWaalsContact C-N 3.31Å; L66-V68 PolarHBondContact O-N 2.85Å; L66-L69 PolarHBondContact O-N 3.19Å; L66-V70 HydrophobicContact CD1-CG2 3.78Å; L66-V70 WeakPolarHBondContact O-CG2 3.49Å; L66-V70 PolarHBondContact O-N 3.44Å; L66-F88 HydrophobicContact CD1-CE1 4.03Å; L66-I150 HydrophobicContact CB-CG1 4.33Å; L66-I150 HydrophobicContact CD1-CG2 4.26Å; L66-H153 HydrophobicContact CD2-CB 3.64Å; L66-S154 WeakPolarHBondContact CD1-OG 3.48Å; L66-S154 WeakPolarHBondContact CD2-OG 3.24Å |
| 67 | D | 93.3 | Very high | 93.4 | Very high | 103 Ų | 103 | 63.6 Ų | 63.6 | 55% | 0.551 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.9 | -39.2 | -174 | -66.3 | -38.4 | 0 | 0 | 0 | 111.7 | L65 L69 V70 L71 | L65-D67 PolarHBondContact O-N 3.03Å; D67-L69 PolarHBondContact O-N 3.13Å; D67-V70 PolarHBondContact O-N 2.92Å; D67-L71 WeakPolarHBondContact O-CB 3.38Å; D67-L71 VanDerWaalsContact O-CG 3.26Å; D67-L71 WeakPolarHBondContact O-CG 3.35Å; D67-L71 PolarHBondContact O-N 2.66Å |
| 68 | V | 92.8 | Very high | 93.3 | Very high | 65 Ų | 65 | 67.8 Ų | 67.8 | 39% | 0.394 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 178.9 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | L65 L66 R72 | L65-V68 PolarHBondContact O-N 2.85Å; L66-V68 VanDerWaalsContact C-N 3.31Å; L66-V68 PolarHBondContact O-N 2.85Å; V68-R72 WeakPolarHBondContact O-CB 3.45Å; V68-R72 PolarHBondContact O-N 2.85Å; V68-R72 VanDerWaalsContact O-N 3.11Å |
| 69 | L | 93.8 | Very high | 93.2 | Very high | 4 Ų | 4 | 68.8 Ų | 68.8 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -71.4 | -41.2 | 179.5 | -68.8 | -176.7 | 0 | 0 | 0 | 111.9 | L65 L66 D67 R72 E73 F88 V93 A96 | L65-L69 HydrophobicContact CD1-CD1 4.01Å; L65-L69 HydrophobicContact CD1-CD2 4.33Å; L65-L69 HydrophobicContact CD1-CG 3.9Å; L65-L69 HydrophobicContact CD2-CD1 4.11Å; L65-L69 HydrophobicContact CG-CD1 3.71Å; L65-L69 HydrophobicContact CG-CG 4.01Å; L65-L69 WeakPolarHBondContact O-CG 3.31Å; L65-L69 PolarHBondContact O-N 3.41Å; L66-L69 PolarHBondContact O-N 3.19Å; D67-L69 PolarHBondContact O-N 3.13Å; L69-R72 PolarHBondContact O-N 3.37Å; L69-E73 WeakPolarHBondContact O-CB 3.43Å; L69-E73 PolarHBondContact O-N 2.83Å; L69-F88 HydrophobicContact CB-CE2 4.15Å; L69-F88 HydrophobicContact CB-CZ 3.81Å; L69-F88 HydrophobicContact CD1-CZ 4.33Å; L69-V93 HydrophobicContact CD1-CB 4.48Å; L69-V93 HydrophobicContact CD1-CG2 4.06Å; L69-A96 HydrophobicContact CD1-CB 3.97Å; L69-A96 HydrophobicContact CD2-CB 3.79Å; L69-A96 HydrophobicContact CG-CB 4.5Å |
| 70 | V | 94.1 | Very high | 93.1 | Very high | 25 Ų | 25 | 69.9 Ų | 69.9 | 15% | 0.152 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 178.5 | 169.2 | 0 | 0 | 0 | 0 | 111.2 | L66 D67 K74 N75 G76 F88 | L66-V70 HydrophobicContact CD1-CG2 3.78Å; L66-V70 WeakPolarHBondContact O-CG2 3.49Å; L66-V70 PolarHBondContact O-N 3.44Å; D67-V70 PolarHBondContact O-N 2.92Å; V70-K74 HydrophobicContact CG1-CB 4.48Å; V70-K74 CarbonylContact O-C 3.52Å; V70-K74 WeakPolarHBondContact O-CA 3.39Å; V70-K74 WeakPolarHBondContact O-CB 3.34Å; V70-K74 PolarHBondContact O-N 3.04Å; V70-N75 PolarHBondContact O-N 2.99Å; V70-G76 PolarHBondContact O-N 2.95Å; V70-F88 HydrophobicContact CG2-CZ 4.05Å |
| 71 | L | 91.4 | Very high | 93.1 | Very high | 125 Ų | 125 | 71.6 Ų | 71.6 | 65% | 0.654 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -67.8 | -39.2 | 178.7 | -70.6 | 172.2 | 0 | 0 | 0 | 112.4 | D67 | D67-L71 WeakPolarHBondContact O-CB 3.38Å; D67-L71 VanDerWaalsContact O-CG 3.26Å; D67-L71 WeakPolarHBondContact O-CG 3.35Å; D67-L71 PolarHBondContact O-N 2.66Å |
| 72 | R | 88.6 | Confident | 93.2 | Very high | 144 Ų | 144 | 68.4 Ų | 68.4 | 54% | 0.543 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -81.2 | -38.1 | -174.8 | -171.3 | -175.5 | -64.5 | 167.6 | -0.7 | 113.7 | V68 L69 | V68-R72 WeakPolarHBondContact O-CB 3.45Å; V68-R72 PolarHBondContact O-N 2.85Å; V68-R72 VanDerWaalsContact O-N 3.11Å; L69-R72 PolarHBondContact O-N 3.37Å |
| 73 | E | 88.6 | Confident | 93.2 | Very high | 72 Ų | 72 | 73.5 Ų | 73.5 | 34% | 0.336 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -114 | -19.4 | -169.5 | -57.8 | -170.7 | 179.4 | 0 | 0 | 113.8 | L69 S92 | L69-E73 WeakPolarHBondContact O-CB 3.43Å; L69-E73 PolarHBondContact O-N 2.83Å; E73-S92 WeakPolarHBondContact OE2-CB 3.41Å; E73-S92 PolarHBondContact OE2-OG 3.08Å |
| 74 | K | 88.6 | Confident | 93.2 | Very high | 65 Ų | 65 | 74.7 Ų | 74.7 | 28% | 0.283 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -115.2 | 8.9 | -177.6 | -58.1 | -64.5 | -175.6 | 176.9 | 0 | 113 | V70 G76 K77 F88 | V70-K74 HydrophobicContact CG1-CB 4.48Å; V70-K74 CarbonylContact O-C 3.52Å; V70-K74 WeakPolarHBondContact O-CA 3.39Å; V70-K74 WeakPolarHBondContact O-CB 3.34Å; V70-K74 PolarHBondContact O-N 3.04Å; K74-G76 PolarHBondContact O-N 3.05Å; K74-K77 HydrophobicContact CB-CB 4.4Å; K74-K77 WeakPolarHBondContact O-CB 3.28Å; K74-K77 PolarHBondContact O-N 3.12Å; K74-F88 HydrophobicContact CG-CD2 4.26Å; K74-F88 HydrophobicContact CG-CE2 4.16Å |
| 75 | N | 89.3 | Confident | 93.3 | Very high | 151 Ų | 151 | 70.7 Ų | 70.7 | 81% | 0.807 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 35.7 | -178 | -60.4 | 26.2 | 0 | 0 | 0 | 112.3 | V70 K77 | V70-N75 PolarHBondContact O-N 2.99Å; N75-K77 PolarHBondContact O-N 3.49Å |
| 76 | G | 88.6 | Confident | 93.5 | Very high | 39 Ų | 39 | 69 Ų | 69 | 40% | 0.402 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 6.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | V70 K74 R78 | V70-G76 PolarHBondContact O-N 2.95Å; K74-G76 PolarHBondContact O-N 3.05Å; G76-R78 PolarHBondContact O-N 3.44Å |
| 77 | K | 91.9 | Very high | 93.5 | Very high | 128 Ų | 128 | 71.9 Ų | 71.9 | 56% | 0.557 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 120.2 | 177.1 | -174.8 | -176.3 | 175.1 | -172.6 | 0 | 110.4 | K74 N75 | K74-K77 HydrophobicContact CB-CB 4.4Å; K74-K77 WeakPolarHBondContact O-CB 3.28Å; K74-K77 PolarHBondContact O-N 3.12Å; N75-K77 PolarHBondContact O-N 3.49Å |
| 78 | R | 91.9 | Very high | 93.7 | Very high | 162 Ų | 162 | 67.1 Ų | 67.1 | 61% | 0.611 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -86.9 | 133.7 | 171.1 | -174.3 | 177.1 | 171.8 | -155.1 | -0.4 | 110.5 | G76 S154 | G76-R78 PolarHBondContact O-N 3.44Å; R78-S154 PolarHBondContact NE-O 3.32Å; R78-S154 PolarHBondContact NH2-O 2.95Å |
| 79 | E | 95.1 | Very high | 94 | Very high | 21 Ų | 21 | 64 Ų | 64 | 10% | 0.098 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 141.6 | 176.7 | -58.8 | -58.7 | 167.4 | 0 | 0 | 111.6 | N84 I85 F156 | E79-N84 HydrophobicContact CB-CB 4.14Å; E79-N84 HydrophobicContact CG-CB 4.07Å; E79-N84 VanDerWaalsContact OE2-CB 3.23Å; E79-N84 WeakPolarHBondContact OE2-CB 3.3Å; E79-N84 PolarHBondContact OE2-ND2 3.46Å; E79-I85 HydrophobicContact CB-CB 4.27Å; E79-I85 HydrophobicContact CB-CD1 4.3Å; E79-F156 WeakPolarHBondContact O-CE2 3.48Å |
| 80 | T | 95.1 | Very high | 94.1 | Very high | 86 Ų | 86 | 65.6 Ų | 65.6 | 53% | 0.528 | 32% | 0.322 | S | S | . | . | trans | -118.4 | -18.5 | -178.8 | 55 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 81 | K | 96.9 | Very high | 94.2 | Very high | 83 Ų | 83 | 66.1 Ų | 66.1 | 36% | 0.361 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -101.6 | 143.2 | 179.3 | -62.7 | -166.5 | 174.6 | -164.1 | 0 | 111.7 | L83 N84 I85 D182 | K81-L83 VanDerWaalsContact C-N 3.35Å; K81-L83 PolarHBondContact O-N 3.31Å; K81-N84 HydrophobicContact CB-CB 4.45Å; K81-N84 PolarHBondContact O-N 3.39Å; K81-I85 PolarHBondContact O-N 2.63Å; K81-D182 VanDerWaalsContact CA-OD1 3.26Å; K81-D182 WeakPolarHBondContact CA-OD1 2.84Å |
| 82 | V | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 180 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | N84 I85 L86 Y115 F156 F174 V178 I179 D182 | V82-N84 VanDerWaalsContact C-N 3.3Å; V82-N84 PolarHBondContact O-N 3.49Å; V82-I85 WeakPolarHBondContact O-CG2 3.33Å; V82-I85 PolarHBondContact O-N 3.38Å; V82-L86 HydrophobicContact CG1-CD1 3.79Å; V82-L86 HydrophobicContact CG1-CG 4.33Å; V82-L86 VanDerWaalsContact O-CG 3.32Å; V82-L86 WeakPolarHBondContact O-CG 3.4Å; V82-L86 PolarHBondContact O-N 3.46Å; V82-Y115 HydrophobicContact CG1-CE2 3.94Å; V82-F156 HydrophobicContact CG2-CD1 4.06Å; V82-F156 HydrophobicContact CG2-CE1 4.15Å; V82-F174 HydrophobicContact CG1-CD2 4.16Å; V82-F174 HydrophobicContact CG1-CE2 3.63Å; V82-F174 HydrophobicContact CG1-CZ 4.08Å; V82-V178 HydrophobicContact CG2-CG1 3.79Å; V82-I179 HydrophobicContact CG2-CD1 4.28Å; V82-D182 WeakPolarHBondContact CB-OD2 3.44Å; V82-D182 HydrophobicContact CG2-CB 3.78Å; V82-D182 VanDerWaalsContact CG2-CG 3.47Å; V82-D182 PolarHBondContact N-OD1 3.3Å |
| 83 | L | 96.3 | Very high | 94.8 | Very high | 107 Ų | 107 | 53.6 Ų | 53.6 | 56% | 0.56 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -57.1 | -43.5 | 178.6 | -172.1 | 74.3 | 0 | 0 | 0 | 112.1 | K81 L86 L87 | K81-L83 VanDerWaalsContact C-N 3.35Å; K81-L83 PolarHBondContact O-N 3.31Å; L83-L86 PolarHBondContact O-N 2.96Å; L83-L87 HydrophobicContact CG-CD1 4.24Å; L83-L87 WeakPolarHBondContact O-CG 3.42Å; L83-L87 PolarHBondContact O-N 3.36Å |
| 84 | N | 96.9 | Very high | 95 | Very high | 53 Ų | 53 | 50.2 Ų | 50.2 | 28% | 0.283 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.8 | -40.5 | -176.8 | -70.6 | 4.7 | 0 | 0 | 0 | 112.4 | E79 K81 V82 L86 L87 F88 | E79-N84 HydrophobicContact CB-CB 4.14Å; E79-N84 HydrophobicContact CG-CB 4.07Å; E79-N84 VanDerWaalsContact OE2-CB 3.23Å; E79-N84 WeakPolarHBondContact OE2-CB 3.3Å; E79-N84 PolarHBondContact OE2-ND2 3.46Å; K81-N84 HydrophobicContact CB-CB 4.45Å; K81-N84 PolarHBondContact O-N 3.39Å; V82-N84 VanDerWaalsContact C-N 3.3Å; V82-N84 PolarHBondContact O-N 3.49Å; N84-L86 VanDerWaalsContact C-N 3.34Å; N84-L87 PolarHBondContact O-N 2.95Å; N84-F88 WeakPolarHBondContact O-CB 3.23Å; N84-F88 PolarHBondContact O-N 3.48Å |
| 85 | I | 97.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.3 | -34.9 | 178 | -168 | 68.9 | 0 | 0 | 0 | 111.2 | E79 K81 V82 F88 I89 L151 F156 | E79-I85 HydrophobicContact CB-CB 4.27Å; E79-I85 HydrophobicContact CB-CD1 4.3Å; K81-I85 PolarHBondContact O-N 2.63Å; V82-I85 WeakPolarHBondContact O-CG2 3.33Å; V82-I85 PolarHBondContact O-N 3.38Å; I85-F88 HydrophobicContact CD1-CB 4.46Å; I85-F88 HydrophobicContact CD1-CD1 3.8Å; I85-F88 WeakPolarHBondContact O-CB 3.31Å; I85-F88 PolarHBondContact O-N 3.38Å; I85-I89 WeakPolarHBondContact O-CG1 3.11Å; I85-I89 PolarHBondContact O-N 3.23Å; I85-L151 HydrophobicContact CG1-CD2 3.82Å; I85-L151 HydrophobicContact CG2-CD2 4.1Å; I85-F156 HydrophobicContact CB-CD2 4.19Å; I85-F156 HydrophobicContact CB-CE2 3.92Å; I85-F156 HydrophobicContact CB-CZ 4.1Å; I85-F156 HydrophobicContact CD1-CE2 4.46Å; I85-F156 HydrophobicContact CG1-CD2 4.01Å; I85-F156 HydrophobicContact CG1-CE2 4.07Å; I85-F156 HydrophobicContact CG2-CD1 3.81Å; I85-F156 HydrophobicContact CG2-CD2 3.95Å; I85-F156 HydrophobicContact CG2-CE1 3.81Å; I85-F156 HydrophobicContact CG2-CE2 3.96Å; I85-F156 HydrophobicContact CG2-CG 3.89Å; I85-F156 HydrophobicContact CG2-CZ 3.88Å |
| 86 | L | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65 | -40.7 | 172.7 | -69.6 | 172.5 | 0 | 0 | 0 | 111.9 | V82 L83 N84 I89 K90 L105 Y115 I172 F174 | V82-L86 HydrophobicContact CG1-CD1 3.79Å; V82-L86 HydrophobicContact CG1-CG 4.33Å; V82-L86 VanDerWaalsContact O-CG 3.32Å; V82-L86 WeakPolarHBondContact O-CG 3.4Å; V82-L86 PolarHBondContact O-N 3.46Å; L83-L86 PolarHBondContact O-N 2.96Å; N84-L86 VanDerWaalsContact C-N 3.34Å; L86-I89 PolarHBondContact O-N 3.05Å; L86-K90 PolarHBondContact O-N 3.33Å; L86-L105 HydrophobicContact CB-CD1 4.19Å; L86-L105 HydrophobicContact CB-CD2 3.9Å; L86-L105 HydrophobicContact CD2-CD1 4.46Å; L86-Y115 HydrophobicContact CD1-CD1 3.42Å; L86-Y115 VanDerWaalsContact CD1-CD1 3.42Å; L86-Y115 HydrophobicContact CD1-CD2 3.98Å; L86-Y115 HydrophobicContact CD1-CE1 3.7Å; L86-Y115 HydrophobicContact CD1-CE2 4.23Å; L86-Y115 HydrophobicContact CD1-CG 3.56Å; L86-I172 HydrophobicContact CD2-CD1 3.83Å; L86-F174 HydrophobicContact CD1-CE2 4.23Å; L86-F174 HydrophobicContact CD2-CE2 4.05Å; L86-F174 HydrophobicContact CD2-CZ 3.91Å; L86-F174 HydrophobicContact CG-CE2 4.33Å; L86-F174 HydrophobicContact CG-CZ 4.27Å |
| 87 | L | 97.6 | Very high | 95.3 | Very high | 74 Ų | 74 | 48.5 Ų | 48.5 | 39% | 0.387 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.3 | -36.8 | 173.7 | -72.3 | 173.4 | 0 | 0 | 0 | 112.3 | L83 N84 I89 K90 V91 L105 | L83-L87 HydrophobicContact CG-CD1 4.24Å; L83-L87 WeakPolarHBondContact O-CG 3.42Å; L83-L87 PolarHBondContact O-N 3.36Å; N84-L87 PolarHBondContact O-N 2.95Å; L87-I89 VanDerWaalsContact C-N 3.28Å; L87-I89 PolarHBondContact O-N 2.93Å; L87-K90 HydrophobicContact CD2-CD 4.43Å; L87-K90 PolarHBondContact O-N 3.13Å; L87-V91 WeakPolarHBondContact O-CB 3.34Å; L87-V91 WeakPolarHBondContact O-CG2 3.48Å; L87-V91 PolarHBondContact O-N 3.36Å; L87-L105 HydrophobicContact CD2-CD2 4.22Å |
| 88 | F | 97.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.9 | -41.5 | 172.1 | 172.2 | -114.4 | 0 | 0 | 0 | 111.5 | L66 L69 V70 K74 N84 I85 S92 V93 I150 | L66-F88 HydrophobicContact CD1-CE1 4.03Å; L69-F88 HydrophobicContact CB-CE2 4.15Å; L69-F88 HydrophobicContact CB-CZ 3.81Å; L69-F88 HydrophobicContact CD1-CZ 4.33Å; V70-F88 HydrophobicContact CG2-CZ 4.05Å; K74-F88 HydrophobicContact CG-CD2 4.26Å; K74-F88 HydrophobicContact CG-CE2 4.16Å; N84-F88 WeakPolarHBondContact O-CB 3.23Å; N84-F88 PolarHBondContact O-N 3.48Å; I85-F88 HydrophobicContact CD1-CB 4.46Å; I85-F88 HydrophobicContact CD1-CD1 3.8Å; I85-F88 WeakPolarHBondContact O-CB 3.31Å; I85-F88 PolarHBondContact O-N 3.38Å; F88-S92 VanDerWaalsContact CD2-CB 3.49Å; F88-S92 VanDerWaalsContact CE2-CB 3.47Å; F88-S92 WeakPolarHBondContact O-CB 3.4Å; F88-S92 PolarHBondContact O-N 3.34Å; F88-V93 HydrophobicContact CD1-CG2 4.08Å; F88-V93 HydrophobicContact CE1-CG2 3.78Å; F88-V93 HydrophobicContact CZ-CG2 4.12Å; F88-V93 PolarHBondContact O-N 3.33Å; F88-V93 VanDerWaalsContact O-N 3.13Å; F88-I150 HydrophobicContact CD1-CG2 4.4Å; F88-I150 HydrophobicContact CE1-CG2 4.08Å |
| 89 | I | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -67.1 | -51.6 | 176 | -65.4 | 158 | 0 | 0 | 0 | 111.1 | I85 L86 L87 V91 V93 W94 I117 V147 I150 L151 | I85-I89 WeakPolarHBondContact O-CG1 3.11Å; I85-I89 PolarHBondContact O-N 3.23Å; L86-I89 PolarHBondContact O-N 3.05Å; L87-I89 VanDerWaalsContact C-N 3.28Å; L87-I89 PolarHBondContact O-N 2.93Å; I89-V91 PolarHBondContact O-N 3.42Å; I89-V93 HydrophobicContact CG1-CG2 4.31Å; I89-W94 HydrophobicContact CG2-CE3 3.91Å; I89-W94 HydrophobicContact CG2-CZ3 3.64Å; I89-W94 PolarHBondContact O-N 3.39Å; I89-W94 VanDerWaalsContact O-N 3.08Å; I89-I117 HydrophobicContact CB-CD1 4.19Å; I89-I117 HydrophobicContact CG2-CD1 3.4Å; I89-I117 VanDerWaalsContact CG2-CD1 3.4Å; I89-V147 HydrophobicContact CD1-CG1 3.97Å; I89-V147 HydrophobicContact CG2-CG1 4.11Å; I89-V147 HydrophobicContact CG2-CG2 3.91Å; I89-I150 HydrophobicContact CG1-CG2 4.27Å; I89-L151 HydrophobicContact CD1-CD1 4.15Å; I89-L151 HydrophobicContact CD1-CD2 3.33Å; I89-L151 HydrophobicContact CD1-CG 3.62Å |
| 90 | K | 97.1 | Very high | 94.7 | Very high | 38 Ų | 38 | 42.3 Ų | 42.3 | 17% | 0.165 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -54.5 | -37.2 | -179.9 | 171 | 179.5 | 172 | 70.1 | 0 | 112.8 | L86 L87 W94 A102 D103 L105 | L86-K90 PolarHBondContact O-N 3.33Å; L87-K90 HydrophobicContact CD2-CD 4.43Å; L87-K90 PolarHBondContact O-N 3.13Å; K90-W94 VanDerWaalsContact O-CB 3.23Å; K90-W94 WeakPolarHBondContact O-CB 3.45Å; K90-A102 HydrophobicContact CB-CB 4.49Å; K90-A102 HydrophobicContact CG-CB 4.05Å; K90-A102 PolarHBondContact NZ-O 3.23Å; K90-A102 PolarHBondContact O-N 3.49Å; K90-D103 PolarHBondContact NZ-O 3.36Å; K90-L105 HydrophobicContact CD-CB 3.94Å |
| 91 | V | 96.3 | Very high | 94.7 | Very high | 36 Ų | 36 | 42.1 Ų | 42.1 | 22% | 0.218 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -102.7 | -68.8 | -171.8 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | L87 I89 R95 E101 | L87-V91 WeakPolarHBondContact O-CB 3.34Å; L87-V91 WeakPolarHBondContact O-CG2 3.48Å; L87-V91 PolarHBondContact O-N 3.36Å; I89-V91 PolarHBondContact O-N 3.42Å; V91-R95 WeakPolarHBondContact O-CB 3.4Å; V91-R95 PolarHBondContact O-N 3.14Å; V91-E101 HydrophobicContact CG1-CG 4.24Å; V91-E101 WeakPolarHBondContact CG1-OE1 3.42Å; V91-E101 HydrophobicContact CG2-CG 4.44Å |
| 92 | S | 95.8 | Very high | 94.6 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -71.7 | -50.5 | -170.2 | -75.8 | 0 | 0 | 0 | 0 | 112 | E73 F88 W94 R95 A96 | E73-S92 WeakPolarHBondContact OE2-CB 3.41Å; E73-S92 PolarHBondContact OE2-OG 3.08Å; F88-S92 VanDerWaalsContact CD2-CB 3.49Å; F88-S92 VanDerWaalsContact CE2-CB 3.47Å; F88-S92 WeakPolarHBondContact O-CB 3.4Å; F88-S92 PolarHBondContact O-N 3.34Å; S92-W94 PolarHBondContact O-N 3.5Å; S92-R95 PolarHBondContact O-N 3.43Å; S92-A96 WeakPolarHBondContact O-CB 3.46Å; S92-A96 PolarHBondContact O-N 2.86Å |
| 93 | V | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -64.5 | -45.2 | -179.3 | -179 | 0 | 0 | 0 | 0 | 110.1 | L65 L69 F88 I89 R95 A96 L97 I150 | L65-V93 HydrophobicContact CD2-CG1 4.49Å; L69-V93 HydrophobicContact CD1-CB 4.48Å; L69-V93 HydrophobicContact CD1-CG2 4.06Å; F88-V93 HydrophobicContact CD1-CG2 4.08Å; F88-V93 HydrophobicContact CE1-CG2 3.78Å; F88-V93 HydrophobicContact CZ-CG2 4.12Å; F88-V93 PolarHBondContact O-N 3.33Å; F88-V93 VanDerWaalsContact O-N 3.13Å; I89-V93 HydrophobicContact CG1-CG2 4.31Å; V93-R95 PolarHBondContact O-N 2.97Å; V93-A96 WeakPolarHBondContact O-CB 3.42Å; V93-A96 PolarHBondContact O-N 2.87Å; V93-L97 HydrophobicContact CG1-CD1 3.88Å; V93-L97 HydrophobicContact CG1-CG 4.4Å; V93-L97 WeakPolarHBondContact O-CG 3.45Å; V93-L97 PolarHBondContact O-N 2.99Å; V93-I150 HydrophobicContact CB-CD1 4.38Å; V93-I150 HydrophobicContact CG1-CD1 3.68Å; V93-I150 HydrophobicContact CG2-CD1 3.72Å; V93-I150 HydrophobicContact CG2-CG2 4.48Å |
| 94 | W | 94.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.9 | -43.5 | 178.6 | -123.1 | -107.9 | 0 | 0 | 0 | 113.3 | I89 K90 S92 A96 L97 F98 K100 A102 I117 E119 L123 T143 V147 L170 | I89-W94 HydrophobicContact CG2-CE3 3.91Å; I89-W94 HydrophobicContact CG2-CZ3 3.64Å; I89-W94 PolarHBondContact O-N 3.39Å; I89-W94 VanDerWaalsContact O-N 3.08Å; K90-W94 VanDerWaalsContact O-CB 3.23Å; K90-W94 WeakPolarHBondContact O-CB 3.45Å; S92-W94 PolarHBondContact O-N 3.5Å; W94-A96 VanDerWaalsContact C-N 3.3Å; W94-A96 PolarHBondContact O-N 2.87Å; W94-L97 PolarHBondContact O-N 3.12Å; W94-F98 AromaticContact CD1-CD2 3.6Å; W94-F98 HydrophobicContact CD2-CD2 4.12Å; W94-F98 HydrophobicContact CD2-CE2 4.09Å; W94-F98 AromaticContact CE2-CE2 3.96Å; W94-F98 AromaticContact CG-CD2 3.87Å; W94-F98 HydrophobicContact CG-CD2 3.87Å; W94-F98 HydrophobicContact CG-CE2 4.32Å; W94-F98 HydrophobicContact CZ2-CE2 4.5Å; W94-F98 AromaticContact NE1-CD2 3.76Å; W94-F98 WeakPolarHBondContact O-CB 3.34Å; W94-F98 PolarHBondContact O-N 3.05Å; W94-K100 CarbonylContact C-O 3.12Å; W94-K100 WeakPolarHBondContact CB-O 3.34Å; W94-A102 VanDerWaalsContact CD1-N 3.3Å; W94-A102 HydrophobicContact CD2-CB 3.8Å; W94-A102 HydrophobicContact CG-CB 3.76Å; W94-A102 HydrophobicContact CZ2-CB 4.14Å; W94-I117 HydrophobicContact CH2-CB 4.05Å; W94-I117 HydrophobicContact CH2-CD1 4.07Å; W94-I117 HydrophobicContact CH2-CG2 3.38Å; W94-I117 HydrophobicContact CZ2-CG2 3.46Å; W94-I117 VanDerWaalsContact CZ2-CG2 3.46Å; W94-I117 HydrophobicContact CZ3-CD1 3.87Å; W94-I117 HydrophobicContact CZ3-CG2 4.06Å; W94-E119 HydrophobicContact CZ2-CG 3.99Å; W94-E119 PolarHBondContact NE1-OE1 3.05Å; W94-L123 HydrophobicContact CZ2-CD1 3.8Å; W94-L123 HydrophobicContact CZ2-CD2 4.37Å; W94-T143 HydrophobicContact CH2-CG2 4.41Å; W94-V147 HydrophobicContact CZ3-CG2 3.94Å; W94-L170 HydrophobicContact CH2-CD1 3.35Å; W94-L170 HydrophobicContact CZ2-CD1 3.98Å; W94-L170 HydrophobicContact CZ3-CD1 4.33Å |
| 95 | R | 92.2 | Very high | 94.5 | Very high | 118 Ų | 118 | 41.5 Ų | 41.5 | 45% | 0.445 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.2 | -36.1 | 176.4 | -169.6 | -178 | -60 | 168.1 | -0.2 | 111.8 | V91 S92 V93 L97 G99 K100 E101 | V91-R95 WeakPolarHBondContact O-CB 3.4Å; V91-R95 PolarHBondContact O-N 3.14Å; S92-R95 PolarHBondContact O-N 3.43Å; V93-R95 PolarHBondContact O-N 2.97Å; R95-L97 VanDerWaalsContact C-N 3.34Å; R95-G99 VanDerWaalsContact O-CA 3.24Å; R95-G99 WeakPolarHBondContact O-CA 3.28Å; R95-G99 PolarHBondContact O-N 2.92Å; R95-K100 WeakPolarHBondContact CA-O 3.44Å; R95-K100 PolarHBondContact N-O 3.22Å; R95-E101 IonicContact CZ-OE1 3.89Å; R95-E101 IonicContact NH2-OE1 3.6Å; R95-E101 PolarHBondContact NH2-OE1 3.38Å |
| 96 | A | 90.8 | Very high | 94.5 | Very high | 50 Ų | 50 | 44.1 Ų | 44.1 | 41% | 0.413 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.7 | -34.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | L69 S92 V93 W94 | L69-A96 HydrophobicContact CD1-CB 3.97Å; L69-A96 HydrophobicContact CD2-CB 3.79Å; L69-A96 HydrophobicContact CG-CB 4.5Å; S92-A96 WeakPolarHBondContact O-CB 3.46Å; S92-A96 PolarHBondContact O-N 2.86Å; V93-A96 WeakPolarHBondContact O-CB 3.42Å; V93-A96 PolarHBondContact O-N 2.87Å; W94-A96 VanDerWaalsContact C-N 3.3Å; W94-A96 PolarHBondContact O-N 2.87Å |
| 97 | L | 89.4 | Confident | 94.4 | Very high | 50 Ų | 50 | 48.7 Ų | 48.7 | 26% | 0.262 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -86.7 | -39.7 | -179.1 | -65.9 | 175.4 | 0 | 0 | 0 | 113.2 | L65 V93 W94 R95 T143 V146 | L65-L97 HydrophobicContact CD2-CD2 4.13Å; V93-L97 HydrophobicContact CG1-CD1 3.88Å; V93-L97 HydrophobicContact CG1-CG 4.4Å; V93-L97 WeakPolarHBondContact O-CG 3.45Å; V93-L97 PolarHBondContact O-N 2.99Å; W94-L97 PolarHBondContact O-N 3.12Å; R95-L97 VanDerWaalsContact C-N 3.34Å; L97-T143 HydrophobicContact CD1-CG2 4.18Å; L97-V146 HydrophobicContact CD1-CG1 4.17Å |
| 98 | F | 87.3 | Confident | 94.3 | Very high | 39 Ų | 39 | 45.9 Ų | 45.9 | 17% | 0.171 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -126.5 | -2.1 | -165.6 | -51.2 | -60.4 | 0 | 0 | 0 | 114.1 | W94 K100 L123 F127 T143 | W94-F98 AromaticContact CD1-CD2 3.6Å; W94-F98 HydrophobicContact CD2-CD2 4.12Å; W94-F98 HydrophobicContact CD2-CE2 4.09Å; W94-F98 AromaticContact CE2-CE2 3.96Å; W94-F98 AromaticContact CG-CD2 3.87Å; W94-F98 HydrophobicContact CG-CD2 3.87Å; W94-F98 HydrophobicContact CG-CE2 4.32Å; W94-F98 HydrophobicContact CZ2-CE2 4.5Å; W94-F98 AromaticContact NE1-CD2 3.76Å; W94-F98 WeakPolarHBondContact O-CB 3.34Å; W94-F98 PolarHBondContact O-N 3.05Å; F98-K100 HydrophobicContact CB-CG 4.36Å; F98-K100 PolarHBondContact O-N 3.39Å; F98-K100 VanDerWaalsContact O-N 3.15Å; F98-L123 HydrophobicContact CD1-CB 4.46Å; F98-L123 HydrophobicContact CD1-CD2 4.16Å; F98-L123 HydrophobicContact CD2-CD2 3.63Å; F98-L123 HydrophobicContact CE1-CB 3.85Å; F98-L123 HydrophobicContact CE1-CD2 4.1Å; F98-L123 HydrophobicContact CE1-CG 4.43Å; F98-L123 HydrophobicContact CE2-CB 4.46Å; F98-L123 HydrophobicContact CE2-CD1 3.9Å; F98-L123 HydrophobicContact CE2-CD2 3.55Å; F98-L123 HydrophobicContact CE2-CG 4.18Å; F98-L123 HydrophobicContact CG-CD2 3.94Å; F98-L123 HydrophobicContact CZ-CB 3.86Å; F98-L123 HydrophobicContact CZ-CD1 3.83Å; F98-L123 HydrophobicContact CZ-CD2 3.82Å; F98-L123 HydrophobicContact CZ-CG 4.06Å; F98-F127 AromaticContact CD1-CE2 3.92Å; F98-F127 HydrophobicContact CD1-CE2 3.92Å; F98-F127 HydrophobicContact CD1-CZ 4.37Å; F98-F127 HydrophobicContact CE1-CE2 4.26Å; F98-T143 HydrophobicContact CE2-CG2 4.01Å; F98-T143 HydrophobicContact CZ-CG2 3.83Å |
| 99 | G | 88.8 | Confident | 94.1 | Very high | 65 Ų | 65 | 53.3 Ų | 53.3 | 67% | 0.67 | 28% | 0.282 | S | S | * | . | S | Bend | trans | 70.4 | 4.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | R95 | R95-G99 VanDerWaalsContact O-CA 3.24Å; R95-G99 WeakPolarHBondContact O-CA 3.28Å; R95-G99 PolarHBondContact O-N 2.92Å |
| 100 | K | 91.3 | Very high | 93.9 | Very high | 78 Ų | 78 | 61.3 Ų | 61.3 | 34% | 0.339 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -138.2 | 163.4 | 178.2 | 73.2 | 179.5 | -169.4 | 82.4 | 0 | 111.6 | W94 R95 F98 D103 E119 | W94-K100 CarbonylContact C-O 3.12Å; W94-K100 WeakPolarHBondContact CB-O 3.34Å; R95-K100 WeakPolarHBondContact CA-O 3.44Å; R95-K100 PolarHBondContact N-O 3.22Å; F98-K100 HydrophobicContact CB-CG 4.36Å; F98-K100 PolarHBondContact O-N 3.39Å; F98-K100 VanDerWaalsContact O-N 3.15Å; K100-D103 IonicContact NZ-OD1 3.98Å; K100-D103 PolarHBondContact NZ-OD1 3.46Å; K100-E119 IonicContact NZ-OE1 2.67Å; K100-E119 PolarHBondContact NZ-OE1 2.91Å; K100-E119 IonicContact NZ-OE2 2.99Å; K100-E119 PolarHBondContact NZ-OE2 3.22Å |
| 101 | E | 95 | Very high | 93.8 | Very high | 82 Ų | 82 | 61.2 Ų | 61.2 | 38% | 0.383 | 33% | 0.326 | S | S | . | . | trans | -78.1 | 156.5 | 170.5 | -61.1 | -172.6 | -175.9 | 0 | 0 | 111.1 | V91 R95 | V91-E101 HydrophobicContact CG1-CG 4.24Å; V91-E101 WeakPolarHBondContact CG1-OE1 3.42Å; V91-E101 HydrophobicContact CG2-CG 4.44Å; R95-E101 IonicContact CZ-OE1 3.89Å; R95-E101 IonicContact NH2-OE1 3.6Å; R95-E101 PolarHBondContact NH2-OE1 3.38Å | ||
| 102 | A | 94 | Very high | 93.8 | Very high | 3 Ų | 3 | 62.4 Ų | 62.4 | 3% | 0.025 | 33% | 0.331 | C | S | . | . | trans | -65.3 | 145.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | K90 W94 K104 I117 E119 | K90-A102 HydrophobicContact CB-CB 4.49Å; K90-A102 HydrophobicContact CG-CB 4.05Å; K90-A102 PolarHBondContact NZ-O 3.23Å; K90-A102 PolarHBondContact O-N 3.49Å; W94-A102 VanDerWaalsContact CD1-N 3.3Å; W94-A102 HydrophobicContact CD2-CB 3.8Å; W94-A102 HydrophobicContact CG-CB 3.76Å; W94-A102 HydrophobicContact CZ2-CB 4.14Å; A102-K104 PolarHBondContact O-N 3.48Å; A102-I117 HydrophobicContact CB-CG2 3.49Å; A102-I117 VanDerWaalsContact CB-CG2 3.49Å; A102-E119 WeakPolarHBondContact CA-OE1 3.43Å | ||
| 103 | D | 94.5 | Very high | 93.8 | Very high | 74 Ų | 74 | 64.6 Ų | 64.6 | 40% | 0.396 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -65 | -47.1 | -174.9 | -59.7 | -22.9 | 0 | 0 | 0 | 111.4 | K90 K100 I118 E119 K120 | K90-D103 PolarHBondContact NZ-O 3.36Å; K100-D103 IonicContact NZ-OD1 3.98Å; K100-D103 PolarHBondContact NZ-OD1 3.46Å; D103-I118 WeakPolarHBondContact CB-O 3.34Å; D103-I118 PolarHBondContact N-O 3.4Å; D103-E119 PolarHBondContact N-OE1 3.07Å; D103-K120 WeakPolarHBondContact OD2-CB 3.34Å; D103-K120 PolarHBondContact OD2-N 3.03Å |
| 104 | K | 96.6 | Very high | 93.9 | Very high | 104 Ų | 104 | 64.8 Ų | 64.8 | 45% | 0.452 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 152.9 | 179.8 | -53.3 | -176 | 175.7 | -174.8 | 0 | 113.6 | A102 E106 I117 I118 | A102-K104 PolarHBondContact O-N 3.48Å; K104-E106 HydrophobicContact CB-CG 4.5Å; K104-E106 WeakPolarHBondContact CD-OE1 3.43Å; K104-E106 IonicContact NZ-OE1 2.78Å; K104-I117 WeakPolarHBondContact O-CA 3.26Å; K104-I118 HydrophobicContact CB-CB 4.14Å; K104-I118 PolarHBondContact N-O 3.3Å; K104-I118 VanDerWaalsContact N-O 3.12Å; K104-I118 PolarHBondContact O-N 2.86Å |
| 105 | L | 97.8 | Very high | 94.1 | Very high | 48 Ų | 48 | 66.2 Ų | 66.2 | 25% | 0.251 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 115.6 | 166.6 | 175.8 | 68.9 | 0 | 0 | 0 | 106.7 | L86 L87 K90 Y116 I117 | L86-L105 HydrophobicContact CB-CD1 4.19Å; L86-L105 HydrophobicContact CB-CD2 3.9Å; L86-L105 HydrophobicContact CD2-CD1 4.46Å; L87-L105 HydrophobicContact CD2-CD2 4.22Å; K90-L105 HydrophobicContact CD-CB 3.94Å; L105-Y116 CarbonylContact C-O 3.31Å; L105-Y116 VanDerWaalsContact CA-O 3.31Å; L105-Y116 WeakPolarHBondContact CA-O 3.46Å; L105-I117 HydrophobicContact CD1-CG1 3.88Å |
| 106 | E | 96.8 | Very high | 94.4 | Very high | 59 Ų | 59 | 63.8 Ų | 63.8 | 28% | 0.276 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 149.5 | -178.3 | -64.2 | -179.6 | -175.4 | 0 | 0 | 109.1 | K104 Y115 Y116 I118 K166 | K104-E106 HydrophobicContact CB-CG 4.5Å; K104-E106 WeakPolarHBondContact CD-OE1 3.43Å; K104-E106 IonicContact NZ-OE1 2.78Å; E106-Y115 CarbonylContact O-C 3.52Å; E106-Y115 WeakPolarHBondContact O-CA 3.42Å; E106-Y116 HydrophobicContact CB-CD2 4.49Å; E106-Y116 PolarHBondContact N-O 3.04Å; E106-Y116 PolarHBondContact O-N 2.96Å; E106-I118 HydrophobicContact CG-CD1 4.16Å; E106-I118 WeakPolarHBondContact OE2-CD1 3.34Å; E106-K166 IonicContact OE1-NZ 2.95Å; E106-K166 IonicContact OE2-NZ 2.94Å; E106-K166 PolarHBondContact OE2-NZ 2.95Å |
| 107 | Q | 96.9 | Very high | 94.7 | Very high | 95 Ų | 95 | 61.4 Ų | 61.4 | 44% | 0.444 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 147.5 | 166.9 | -171 | 177.1 | 21.9 | 0 | 0 | 108.4 | D112 Y115 | Q107-D112 PolarHBondContact NE2-O 3.13Å; Q107-Y115 HydrophobicContact CB-CD1 3.87Å; Q107-Y115 HydrophobicContact CB-CE1 3.87Å; Q107-Y115 HydrophobicContact CG-CD1 3.87Å; Q107-Y115 HydrophobicContact CG-CE1 3.59Å; Q107-Y115 PolarHBondContact NE2-OH 3.36Å |
| 108 | A | 95.8 | Very high | 94.9 | Very high | 15 Ų | 15 | 59.2 Ų | 59.2 | 12% | 0.124 | 31% | 0.307 | C | S | . | . | trans | -65.8 | 139 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | D110 D111 T114 Y116 | A108-D110 VanDerWaalsContact C-N 3.31Å; A108-D110 PolarHBondContact O-N 3.26Å; A108-D111 HydrophobicContact CB-CB 4.3Å; A108-T114 HydrophobicContact CB-CG2 3.97Å; A108-T114 WeakPolarHBondContact CB-O 3.43Å; A108-T114 PolarHBondContact N-O 3.05Å; A108-Y116 HydrophobicContact CB-CE2 3.71Å | ||
| 109 | N | 93.2 | Very high | 95 | Very high | 159 Ų | 159 | 57.4 Ų | 57.4 | 85% | 0.85 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -66.5 | -35.4 | -177.7 | -65.1 | -30.6 | 0 | 0 | 0 | 112.5 | ||
| 110 | D | 94 | Very high | 94.8 | Very high | 168 Ų | 168 | 62 Ų | 62 | 90% | 0.898 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -109.3 | 1.8 | -170.2 | -51 | -48.8 | 0 | 0 | 0 | 113.3 | A108 | A108-D110 VanDerWaalsContact C-N 3.31Å; A108-D110 PolarHBondContact O-N 3.26Å |
| 111 | D | 94.7 | Very high | 94.1 | Very high | 35 Ų | 35 | 64.7 Ų | 64.7 | 19% | 0.187 | 32% | 0.315 | C | S | . | . | trans | -144.8 | 107 | -179 | -175.1 | 16.9 | 0 | 0 | 0 | 111 | A108 K113 T114 K173 | A108-D111 HydrophobicContact CB-CB 4.3Å; D111-K113 PolarHBondContact O-N 3.2Å; D111-K113 WeakPolarHBondContact OD1-CB 3.47Å; D111-K113 WeakPolarHBondContact OD1-CE 3.29Å; D111-K113 PolarHBondContact OD1-N 2.95Å; D111-T114 PolarHBondContact O-N 3.19Å; D111-T114 VanDerWaalsContact O-N 3.11Å; D111-T114 WeakPolarHBondContact OD2-CB 3.42Å; D111-T114 PolarHBondContact OD2-OG1 3.31Å; D111-K173 IonicContact OD2-NZ 3.81Å | ||
| 112 | D | 94.7 | Very high | 92.7 | Very high | 61 Ų | 61 | 62.3 Ų | 62.3 | 33% | 0.326 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -14.8 | -179 | 64.7 | -9.9 | 0 | 0 | 0 | 113.7 | Q107 Y115 K183 | Q107-D112 PolarHBondContact NE2-O 3.13Å; D112-Y115 WeakPolarHBondContact O-CE2 3.25Å; D112-Y115 PolarHBondContact O-OH 2.78Å; D112-K183 WeakPolarHBondContact OD2-CE 3.36Å; D112-K183 IonicContact OD2-NZ 2.63Å; D112-K183 PolarHBondContact OD2-NZ 3.28Å |
| 113 | K | 96.9 | Very high | 91.3 | Very high | 52 Ų | 52 | 62.6 Ų | 62.6 | 23% | 0.226 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -14.1 | 174.8 | -66.2 | 165.7 | -70 | -165.2 | 0 | 113.5 | D111 K173 F174 E176 I179 | D111-K113 PolarHBondContact O-N 3.2Å; D111-K113 WeakPolarHBondContact OD1-CB 3.47Å; D111-K113 WeakPolarHBondContact OD1-CE 3.29Å; D111-K113 PolarHBondContact OD1-N 2.95Å; K113-K173 WeakPolarHBondContact O-CA 3.45Å; K113-F174 PolarHBondContact O-N 2.9Å; K113-E176 HydrophobicContact CD-CB 4.27Å; K113-I179 HydrophobicContact CB-CG1 4.17Å; K113-I179 HydrophobicContact CG-CB 4.28Å; K113-I179 HydrophobicContact CG-CG1 3.54Å |
| 114 | T | 98.1 | Very high | 89.8 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 127.8 | -170.5 | -64.3 | 0 | 0 | 0 | 0 | 111.8 | A108 D111 Y116 M171 I172 | A108-T114 HydrophobicContact CB-CG2 3.97Å; A108-T114 WeakPolarHBondContact CB-O 3.43Å; A108-T114 PolarHBondContact N-O 3.05Å; D111-T114 PolarHBondContact O-N 3.19Å; D111-T114 VanDerWaalsContact O-N 3.11Å; D111-T114 WeakPolarHBondContact OD2-CB 3.42Å; D111-T114 PolarHBondContact OD2-OG1 3.31Å; T114-Y116 HydrophobicContact CG2-CE1 3.93Å; T114-Y116 HydrophobicContact CG2-CE2 4.28Å; T114-M171 HydrophobicContact CG2-CG 3.75Å; T114-M171 HydrophobicContact CG2-SD 4.02Å; T114-I172 WeakPolarHBondContact CA-O 3.49Å |
| 115 | Y | 98.5 | Very high | 87.9 | Confident | 30 Ų | 30 | 59 Ų | 59 | 12% | 0.118 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 156 | 178 | -62.4 | -95.4 | 0 | 0 | 0 | 110.3 | V82 L86 E106 Q107 D112 I172 F174 I179 | V82-Y115 HydrophobicContact CG1-CE2 3.94Å; L86-Y115 HydrophobicContact CD1-CD1 3.42Å; L86-Y115 VanDerWaalsContact CD1-CD1 3.42Å; L86-Y115 HydrophobicContact CD1-CD2 3.98Å; L86-Y115 HydrophobicContact CD1-CE1 3.7Å; L86-Y115 HydrophobicContact CD1-CE2 4.23Å; L86-Y115 HydrophobicContact CD1-CG 3.56Å; E106-Y115 CarbonylContact O-C 3.52Å; E106-Y115 WeakPolarHBondContact O-CA 3.42Å; Q107-Y115 HydrophobicContact CB-CD1 3.87Å; Q107-Y115 HydrophobicContact CB-CE1 3.87Å; Q107-Y115 HydrophobicContact CG-CD1 3.87Å; Q107-Y115 HydrophobicContact CG-CE1 3.59Å; Q107-Y115 PolarHBondContact NE2-OH 3.36Å; D112-Y115 WeakPolarHBondContact O-CE2 3.25Å; D112-Y115 PolarHBondContact O-OH 2.78Å; Y115-I172 PolarHBondContact N-O 2.97Å; Y115-I172 PolarHBondContact O-N 2.81Å; Y115-F174 AromaticContact CD2-CD2 3.65Å; Y115-F174 HydrophobicContact CD2-CD2 3.65Å; Y115-F174 AromaticContact CD2-CE2 3.53Å; Y115-F174 HydrophobicContact CD2-CE2 3.53Å; Y115-F174 AromaticContact CE2-CD2 3.72Å; Y115-F174 HydrophobicContact CE2-CD2 3.72Å; Y115-F174 AromaticContact CE2-CE2 3.79Å; Y115-F174 HydrophobicContact CE2-CE2 3.79Å; Y115-F174 HydrophobicContact CG-CE2 4.43Å; Y115-I179 HydrophobicContact CE2-CD1 4.41Å |
| 116 | Y | 97.6 | Very high | 85.8 | Confident | 67 Ų | 67 | 60.1 Ų | 60.1 | 26% | 0.263 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 128.2 | -177.6 | -56.7 | -68.4 | 0 | 0 | 0 | 110.5 | L105 E106 A108 T114 T169 L170 M171 | L105-Y116 CarbonylContact C-O 3.31Å; L105-Y116 VanDerWaalsContact CA-O 3.31Å; L105-Y116 WeakPolarHBondContact CA-O 3.46Å; E106-Y116 HydrophobicContact CB-CD2 4.49Å; E106-Y116 PolarHBondContact N-O 3.04Å; E106-Y116 PolarHBondContact O-N 2.96Å; A108-Y116 HydrophobicContact CB-CE2 3.71Å; T114-Y116 HydrophobicContact CG2-CE1 3.93Å; T114-Y116 HydrophobicContact CG2-CE2 4.28Å; Y116-T169 HydrophobicContact CD1-CG2 3.76Å; Y116-T169 HydrophobicContact CG-CG2 4.27Å; Y116-L170 WeakPolarHBondContact CA-O 3.39Å; Y116-M171 HydrophobicContact CD1-CB 3.94Å; Y116-M171 HydrophobicContact CD1-CG 4.02Å; Y116-M171 HydrophobicContact CE1-CB 3.85Å; Y116-M171 HydrophobicContact CE1-CG 3.55Å; Y116-M171 HydrophobicContact CE1-SD 3.93Å |
| 117 | I | 96.5 | Very high | 84 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 121.4 | 161.7 | -59.2 | 179.4 | 0 | 0 | 0 | 107.6 | I89 W94 A102 K104 L105 T169 L170 I172 | I89-I117 HydrophobicContact CB-CD1 4.19Å; I89-I117 HydrophobicContact CG2-CD1 3.4Å; I89-I117 VanDerWaalsContact CG2-CD1 3.4Å; W94-I117 HydrophobicContact CH2-CB 4.05Å; W94-I117 HydrophobicContact CH2-CD1 4.07Å; W94-I117 HydrophobicContact CH2-CG2 3.38Å; W94-I117 HydrophobicContact CZ2-CG2 3.46Å; W94-I117 VanDerWaalsContact CZ2-CG2 3.46Å; W94-I117 HydrophobicContact CZ3-CD1 3.87Å; W94-I117 HydrophobicContact CZ3-CG2 4.06Å; A102-I117 HydrophobicContact CB-CG2 3.49Å; A102-I117 VanDerWaalsContact CB-CG2 3.49Å; K104-I117 WeakPolarHBondContact O-CA 3.26Å; L105-I117 HydrophobicContact CD1-CG1 3.88Å; I117-T169 WeakPolarHBondContact O-CA 3.44Å; I117-L170 HydrophobicContact CB-CB 4.28Å; I117-L170 PolarHBondContact N-O 3.01Å; I117-L170 PolarHBondContact O-N 3.25Å; I117-I172 HydrophobicContact CD1-CD1 3.84Å; I117-I172 HydrophobicContact CG1-CD1 4.04Å |
| 118 | I | 93.8 | Very high | 82.3 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 133.1 | -172.1 | -47.8 | 176.5 | 0 | 0 | 0 | 109.2 | D103 K104 E106 K166 T169 | D103-I118 WeakPolarHBondContact CB-O 3.34Å; D103-I118 PolarHBondContact N-O 3.4Å; K104-I118 HydrophobicContact CB-CB 4.14Å; K104-I118 PolarHBondContact N-O 3.3Å; K104-I118 VanDerWaalsContact N-O 3.12Å; K104-I118 PolarHBondContact O-N 2.86Å; E106-I118 HydrophobicContact CG-CD1 4.16Å; E106-I118 WeakPolarHBondContact OE2-CD1 3.34Å; I118-K166 HydrophobicContact CD1-CD 4.06Å; I118-K166 HydrophobicContact CG2-CB 3.89Å; I118-T169 HydrophobicContact CG1-CG2 4.28Å |
| 119 | E | 89.6 | Confident | 80.3 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 116.1 | 178.5 | -85.7 | -71.6 | 162.3 | 0 | 0 | 109.5 | W94 K100 A102 D103 L123 G167 T168 | W94-E119 HydrophobicContact CZ2-CG 3.99Å; W94-E119 PolarHBondContact NE1-OE1 3.05Å; K100-E119 IonicContact NZ-OE1 2.67Å; K100-E119 PolarHBondContact NZ-OE1 2.91Å; K100-E119 IonicContact NZ-OE2 2.99Å; K100-E119 PolarHBondContact NZ-OE2 3.22Å; A102-E119 WeakPolarHBondContact CA-OE1 3.43Å; D103-E119 PolarHBondContact N-OE1 3.07Å; E119-L123 HydrophobicContact CB-CD2 4.24Å; E119-L123 HydrophobicContact CB-CG 4.18Å; E119-L123 HydrophobicContact CG-CD1 4.23Å; E119-L123 HydrophobicContact CG-CD2 3.51Å; E119-L123 HydrophobicContact CG-CG 3.86Å; E119-G167 CarbonylContact O-C 3.56Å; E119-G167 WeakPolarHBondContact O-CA 3.24Å; E119-T168 PolarHBondContact N-O 3.46Å; E119-T168 PolarHBondContact O-N 3.45Å |
| 120 | K | 84.5 | Confident | 78.4 | Confident | 160 Ų | 160 | 55.4 Ų | 55.4 | 70% | 0.696 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -67.7 | -42.4 | -179.4 | -173.7 | -176.2 | 175.6 | -170.5 | 0 | 110.5 | D103 | D103-K120 WeakPolarHBondContact OD2-CB 3.34Å; D103-K120 PolarHBondContact OD2-N 3.03Å |
| 121 | E | 76.4 | Confident | 76.5 | Confident | 136 Ų | 136 | 51.2 Ų | 51.2 | 64% | 0.636 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -95 | 126.7 | 177.4 | -68.6 | -83.5 | 149.5 | 0 | 0 | 109.2 | L123 | E121-L123 PolarHBondContact O-N 3.12Å; E121-L123 VanDerWaalsContact O-N 3.17Å |
| 122 | P | 65.8 | Low | 74.5 | Confident | 31 Ų | 31 | 59.2 Ų | 59.2 | 20% | 0.201 | 31% | 0.311 | C | S | . | . | trans | -56.9 | 121.2 | 180 | 12.6 | -24.3 | 0 | 0 | 0 | 112.8 | I124 N125 W164 | P122-I124 PolarHBondContact O-N 3.07Å; P122-I124 VanDerWaalsContact O-N 3.08Å; P122-N125 HydrophobicContact CB-CB 3.98Å; P122-N125 HydrophobicContact CG-CB 3.69Å; P122-N125 WeakPolarHBondContact CG-ND2 3.44Å; P122-N125 WeakPolarHBondContact O-CB 3.33Å; P122-N125 PolarHBondContact O-N 3.07Å; P122-W164 HydrophobicContact CB-CH2 4.43Å | ||
| 123 | L | 65.6 | Low | 72.6 | Confident | 9 Ų | 9 | 65.1 Ų | 65.1 | 5% | 0.047 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -35.1 | -174.2 | -70.1 | 174.5 | 0 | 0 | 0 | 114.5 | W94 F98 E119 E121 F127 T143 L170 | W94-L123 HydrophobicContact CZ2-CD1 3.8Å; W94-L123 HydrophobicContact CZ2-CD2 4.37Å; F98-L123 HydrophobicContact CD1-CB 4.46Å; F98-L123 HydrophobicContact CD1-CD2 4.16Å; F98-L123 HydrophobicContact CD2-CD2 3.63Å; F98-L123 HydrophobicContact CE1-CB 3.85Å; F98-L123 HydrophobicContact CE1-CD2 4.1Å; F98-L123 HydrophobicContact CE1-CG 4.43Å; F98-L123 HydrophobicContact CE2-CB 4.46Å; F98-L123 HydrophobicContact CE2-CD1 3.9Å; F98-L123 HydrophobicContact CE2-CD2 3.55Å; F98-L123 HydrophobicContact CE2-CG 4.18Å; F98-L123 HydrophobicContact CG-CD2 3.94Å; F98-L123 HydrophobicContact CZ-CB 3.86Å; F98-L123 HydrophobicContact CZ-CD1 3.83Å; F98-L123 HydrophobicContact CZ-CD2 3.82Å; F98-L123 HydrophobicContact CZ-CG 4.06Å; E119-L123 HydrophobicContact CB-CD2 4.24Å; E119-L123 HydrophobicContact CB-CG 4.18Å; E119-L123 HydrophobicContact CG-CD1 4.23Å; E119-L123 HydrophobicContact CG-CD2 3.51Å; E119-L123 HydrophobicContact CG-CG 3.86Å; E121-L123 PolarHBondContact O-N 3.12Å; E121-L123 VanDerWaalsContact O-N 3.17Å; L123-F127 WeakPolarHBondContact O-CD2 3.43Å; L123-F127 VanDerWaalsContact O-CE2 3.31Å; L123-F127 WeakPolarHBondContact O-CE2 3.44Å; L123-T143 HydrophobicContact CD1-CG2 4.08Å; L123-L170 HydrophobicContact CD1-CD1 4.4Å |
| 124 | I | 63.1 | Low | 70.6 | Confident | 13 Ų | 13 | 65.4 Ų | 65.4 | 7% | 0.067 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -16.9 | -179.8 | -145.4 | 81.8 | 0 | 0 | 0 | 113.3 | F29 F33 P122 A126 F127 I128 C139 | F29-I124 HydrophobicContact CE1-CD1 4.09Å; F29-I124 HydrophobicContact CZ-CD1 4.46Å; F33-I124 HydrophobicContact CD1-CD1 3.57Å; F33-I124 HydrophobicContact CD1-CG1 3.7Å; F33-I124 HydrophobicContact CE1-CD1 3.4Å; F33-I124 VanDerWaalsContact CE1-CD1 3.4Å; F33-I124 HydrophobicContact CE1-CG1 3.53Å; F33-I124 HydrophobicContact CE2-CD1 4.45Å; F33-I124 HydrophobicContact CG-CD1 4.17Å; F33-I124 HydrophobicContact CZ-CD1 3.88Å; F33-I124 HydrophobicContact CZ-CG1 4.41Å; P122-I124 PolarHBondContact O-N 3.07Å; P122-I124 VanDerWaalsContact O-N 3.08Å; I124-A126 PolarHBondContact O-N 3.47Å; I124-F127 HydrophobicContact CD1-CD2 4.31Å; I124-F127 CarbonylContact O-C 3.52Å; I124-F127 WeakPolarHBondContact O-CA 3.32Å; I124-F127 PolarHBondContact O-N 3.43Å; I124-I128 HydrophobicContact CB-CG1 4.37Å; I124-I128 HydrophobicContact CG1-CD1 3.99Å; I124-I128 HydrophobicContact CG1-CG1 3.88Å; I124-I128 HydrophobicContact CG2-CD1 3.92Å; I124-I128 HydrophobicContact CG2-CG1 3.77Å; I124-I128 PolarHBondContact O-N 2.98Å; I124-C139 HydrophobicContact CB-CB 3.94Å; I124-C139 HydrophobicContact CG1-CB 4.14Å; I124-C139 HydrophobicContact CG2-CB 3.52Å |
| 125 | N | 55.4 | Low | 68.5 | Low | 90 Ų | 90 | 69.2 Ų | 69.2 | 48% | 0.481 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -12.7 | 179.2 | -73.2 | 15 | 0 | 0 | 0 | 111.7 | P122 F127 | P122-N125 HydrophobicContact CB-CB 3.98Å; P122-N125 HydrophobicContact CG-CB 3.69Å; P122-N125 WeakPolarHBondContact CG-ND2 3.44Å; P122-N125 WeakPolarHBondContact O-CB 3.33Å; P122-N125 PolarHBondContact O-N 3.07Å; N125-F127 PolarHBondContact O-N 3.17Å |
| 126 | A | 54.3 | Low | 66.5 | Low | 71 Ų | 71 | 72.1 Ų | 72.1 | 59% | 0.587 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I124 | I124-A126 PolarHBondContact O-N 3.47Š|
| 127 | F | 59.7 | Low | 64.8 | Low | 41 Ų | 41 | 69.8 Ų | 69.8 | 18% | 0.18 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -35.9 | -170.8 | -49.4 | -72.7 | 0 | 0 | 0 | 113.1 | V26 F29 A30 F98 L123 I124 N125 | V26-F127 HydrophobicContact CG1-CD1 3.43Å; V26-F127 VanDerWaalsContact CG1-CD1 3.43Å; V26-F127 HydrophobicContact CG1-CE1 3.68Å; F29-F127 HydrophobicContact CD1-CB 4.11Å; F29-F127 AromaticContact CD1-CD1 3.89Å; F29-F127 HydrophobicContact CD1-CD1 3.89Å; F29-F127 HydrophobicContact CD1-CD2 4.18Å; F29-F127 HydrophobicContact CD1-CE1 4.41Å; F29-F127 AromaticContact CD1-CG 3.78Å; F29-F127 HydrophobicContact CD1-CG 3.78Å; F29-F127 HydrophobicContact CE1-CB 4.37Å; F29-F127 HydrophobicContact CE1-CD1 4.49Å; F29-F127 AromaticContact CE1-CD2 3.97Å; F29-F127 HydrophobicContact CE1-CD2 3.97Å; F29-F127 HydrophobicContact CE1-CE2 4.44Å; F29-F127 HydrophobicContact CE1-CG 4.02Å; A30-F127 HydrophobicContact CB-CB 4.03Å; A30-F127 WeakPolarHBondContact CB-O 3.36Å; F98-F127 AromaticContact CD1-CE2 3.92Å; F98-F127 HydrophobicContact CD1-CE2 3.92Å; F98-F127 HydrophobicContact CD1-CZ 4.37Å; F98-F127 HydrophobicContact CE1-CE2 4.26Å; L123-F127 WeakPolarHBondContact O-CD2 3.43Å; L123-F127 VanDerWaalsContact O-CE2 3.31Å; L123-F127 WeakPolarHBondContact O-CE2 3.44Å; I124-F127 HydrophobicContact CD1-CD2 4.31Å; I124-F127 CarbonylContact O-C 3.52Å; I124-F127 WeakPolarHBondContact O-CA 3.32Å; I124-F127 PolarHBondContact O-N 3.43Å; N125-F127 PolarHBondContact O-N 3.17Å |
| 128 | I | 60.5 | Low | 63.6 | Low | 21 Ų | 21 | 70 Ų | 70 | 11% | 0.108 | 38% | 0.381 | C | S | . | . | trans | -130.8 | 146.2 | -175.3 | 64.5 | 170.4 | 0 | 0 | 0 | 113.3 | A30 F33 I124 V130 | A30-I128 HydrophobicContact CB-CG2 4.28Å; A30-I128 WeakPolarHBondContact O-CG2 3.34Å; F33-I128 HydrophobicContact CD1-CD1 4.19Å; F33-I128 HydrophobicContact CE1-CD1 4.32Å; I124-I128 HydrophobicContact CB-CG1 4.37Å; I124-I128 HydrophobicContact CG1-CD1 3.99Å; I124-I128 HydrophobicContact CG1-CG1 3.88Å; I124-I128 HydrophobicContact CG2-CD1 3.92Å; I124-I128 HydrophobicContact CG2-CG1 3.77Å; I124-I128 PolarHBondContact O-N 2.98Å; I128-V130 HydrophobicContact CD1-CG2 3.78Å; I128-V130 HydrophobicContact CG1-CG2 4Å; I128-V130 PolarHBondContact O-N 3.5Å | ||
| 129 | S | 54.3 | Low | 62.5 | Low | 124 Ų | 124 | 69.9 Ų | 69.9 | 87% | 0.867 | 38% | 0.381 | S | S | * | . | trans | -86.4 | 99.8 | 166.9 | -62 | 0 | 0 | 0 | 0 | 108.9 | P131 | S129-P131 WeakPolarHBondContact O-CD 3.38Š| ||
| 130 | V | 53.5 | Low | 62.4 | Low | 43 Ų | 43 | 70 Ų | 70 | 26% | 0.261 | 38% | 0.383 | S | S | . | . | trans | -78.2 | 122.6 | 170.5 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | I128 K132 N134 | I128-V130 HydrophobicContact CD1-CG2 3.78Å; I128-V130 HydrophobicContact CG1-CG2 4Å; I128-V130 PolarHBondContact O-N 3.5Å; V130-K132 PolarHBondContact O-N 3.21Å; V130-N134 HydrophobicContact CG1-CB 3.85Å | ||
| 131 | P | 52.7 | Low | 62.7 | Low | 80 Ų | 80 | 62.7 Ų | 62.7 | 52% | 0.519 | 35% | 0.352 | S | S | . | . | trans | -54.8 | 138.8 | 174.3 | -24.8 | 34.2 | 0 | 0 | 0 | 110.5 | S129 E133 N134 | S129-P131 WeakPolarHBondContact O-CD 3.38Å; P131-E133 PolarHBondContact O-N 2.97Å; P131-N134 PolarHBondContact O-N 2.71Å | ||
| 132 | K | 53.2 | Low | 63.5 | Low | 204 Ų | 204 | 57.1 Ų | 57.1 | 89% | 0.887 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -54.8 | -26.7 | -175 | -69.2 | -178.9 | 178.5 | 178.1 | 0 | 113.6 | V130 N134 S135 | V130-K132 PolarHBondContact O-N 3.21Å; K132-N134 PolarHBondContact O-N 2.77Å; K132-S135 WeakPolarHBondContact O-CB 3.34Å; K132-S135 PolarHBondContact O-N 3Å |
| 133 | E | 53.9 | Low | 64.9 | Low | 185 Ų | 185 | 55.9 Ų | 55.9 | 86% | 0.864 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -67.1 | -22.6 | 177.5 | -58.6 | 178.9 | -158.9 | 0 | 0 | 113 | P131 | P131-E133 PolarHBondContact O-N 2.97Š|
| 134 | N | 55.8 | Low | 66.3 | Low | 57 Ų | 57 | 55.6 Ų | 55.6 | 31% | 0.305 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -103.4 | 25.7 | 179.2 | -67.4 | -34.1 | 0 | 0 | 0 | 112.8 | V130 P131 K132 T136 L137 | V130-N134 HydrophobicContact CG1-CB 3.85Å; P131-N134 PolarHBondContact O-N 2.71Å; K132-N134 PolarHBondContact O-N 2.77Å; N134-T136 PolarHBondContact O-N 3.39Å; N134-L137 HydrophobicContact CB-CB 4.41Å; N134-L137 WeakPolarHBondContact O-CB 3Å; N134-L137 PolarHBondContact O-N 2.92Å |
| 135 | S | 54.7 | Low | 67.9 | Low | 86 Ų | 86 | 55 Ų | 55 | 60% | 0.601 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -17.4 | 179.9 | 170.8 | 0 | 0 | 0 | 0 | 114.8 | K132 L137 | K132-S135 WeakPolarHBondContact O-CB 3.34Å; K132-S135 PolarHBondContact O-N 3Å; S135-L137 VanDerWaalsContact C-N 3.33Å |
| 136 | T | 56.1 | Low | 69.9 | Low | 91 Ų | 91 | 50.7 Ų | 50.7 | 56% | 0.558 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -15.5 | 176.1 | 56.4 | 0 | 0 | 0 | 0 | 113 | N134 N138 | N134-T136 PolarHBondContact O-N 3.39Å; T136-N138 PolarHBondContact O-N 2.94Å; T136-N138 VanDerWaalsContact O-N 3.07Å |
| 137 | L | 62 | Low | 72 | Confident | 17 Ų | 17 | 47.3 Ų | 47.3 | 9% | 0.089 | 26% | 0.263 | C | S | . | . | trans | -76.7 | 97.4 | -176.3 | -162 | 154.1 | 0 | 0 | 0 | 109.6 | V37 L50 N134 S135 C139 | V37-L137 HydrophobicContact CG1-CD1 4.2Å; V37-L137 HydrophobicContact CG1-CD2 4.11Å; L50-L137 HydrophobicContact CD2-CD1 3.54Å; L50-L137 HydrophobicContact CD2-CG 3.88Å; N134-L137 HydrophobicContact CB-CB 4.41Å; N134-L137 WeakPolarHBondContact O-CB 3Å; N134-L137 PolarHBondContact O-N 2.92Å; S135-L137 VanDerWaalsContact C-N 3.33Å; L137-C139 HydrophobicContact CD2-CB 4.46Å; L137-C139 WeakPolarHBondContact CD2-SG 3.35Å; L137-C139 PolarHBondContact O-N 2.82Å | ||
| 138 | N | 70.4 | Confident | 73.9 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.027 | 26% | 0.259 | C | S | . | . | trans | -86.6 | 87.9 | 176.6 | -160.9 | -19 | 0 | 0 | 0 | 110.7 | Q51 T136 A140 A141 V162 W164 | Q51-N138 VanDerWaalsContact NE2-CB 3.31Å; T136-N138 PolarHBondContact O-N 2.94Å; T136-N138 VanDerWaalsContact O-N 3.07Å; N138-A140 PolarHBondContact O-N 2.78Å; N138-A140 VanDerWaalsContact O-N 3.12Å; N138-A140 WeakPolarHBondContact OD1-CB 3.35Å; N138-A140 PolarHBondContact OD1-N 2.67Å; N138-A141 WeakPolarHBondContact O-CB 3.34Å; N138-A141 PolarHBondContact O-N 2.76Å; N138-V162 HydrophobicContact CB-CG2 3.99Å; N138-V162 WeakPolarHBondContact ND2-CB 3.48Å; N138-W164 HydrophobicContact CB-CZ2 4.41Å | ||
| 139 | C | 72.1 | Confident | 75.7 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.02 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -15 | 173.1 | -75.2 | 0 | 0 | 0 | 0 | 113.6 | F33 I124 L137 A141 F142 | F33-C139 HydrophobicContact CE1-CB 3.82Å; F33-C139 HydrophobicContact CZ-CB 4.13Å; I124-C139 HydrophobicContact CB-CB 3.94Å; I124-C139 HydrophobicContact CG1-CB 4.14Å; I124-C139 HydrophobicContact CG2-CB 3.52Å; L137-C139 HydrophobicContact CD2-CB 4.46Å; L137-C139 WeakPolarHBondContact CD2-SG 3.35Å; L137-C139 PolarHBondContact O-N 2.82Å; C139-A141 PolarHBondContact O-N 2.99Å; C139-A141 VanDerWaalsContact O-N 3.07Å; C139-F142 PolarHBondContact O-N 3.07Å; C139-F142 VanDerWaalsContact O-N 3.13Å |
| 140 | A | 86.8 | Confident | 77.8 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 3% | 0.033 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.8 | -11.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N138 F142 T143 G144 V162 T168 | N138-A140 PolarHBondContact O-N 2.78Å; N138-A140 VanDerWaalsContact O-N 3.12Å; N138-A140 WeakPolarHBondContact OD1-CB 3.35Å; N138-A140 PolarHBondContact OD1-N 2.67Å; A140-F142 PolarHBondContact O-N 3.07Å; A140-T143 CarbonylContact O-C 3.52Å; A140-T143 WeakPolarHBondContact O-CA 3.21Å; A140-T143 WeakPolarHBondContact O-CB 3.13Å; A140-T143 PolarHBondContact O-N 2.79Å; A140-G144 PolarHBondContact O-N 3.35Å; A140-V162 HydrophobicContact CB-CG1 4.13Å; A140-T168 HydrophobicContact CB-CG2 3.44Å; A140-T168 VanDerWaalsContact CB-CG2 3.44Å |
| 141 | A | 91.6 | Very high | 79.9 | Confident | 6 Ų | 6 | 37.6 Ų | 37.6 | 5% | 0.05 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54.7 | -37.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q51 L54 A55 N138 C139 G144 G145 V162 | Q51-A141 HydrophobicContact CB-CB 3.72Å; Q51-A141 HydrophobicContact CG-CB 3.93Å; Q51-A141 WeakPolarHBondContact O-CB 3.39Å; L54-A141 HydrophobicContact CB-CB 4.34Å; A55-A141 WeakPolarHBondContact CA-O 3.16Å; A55-A141 WeakPolarHBondContact CB-O 3.5Å; N138-A141 WeakPolarHBondContact O-CB 3.34Å; N138-A141 PolarHBondContact O-N 2.76Å; C139-A141 PolarHBondContact O-N 2.99Å; C139-A141 VanDerWaalsContact O-N 3.07Å; A141-G144 PolarHBondContact O-N 2.7Å; A141-G145 PolarHBondContact O-N 2.85Å; A141-V162 HydrophobicContact CB-CG2 3.98Å |
| 142 | F | 93.3 | Very high | 82.1 | Confident | 19 Ų | 19 | 36.9 Ų | 36.9 | 8% | 0.083 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.5 | -49.5 | 171.9 | 176.1 | -95.6 | 0 | 0 | 0 | 111.4 | F33 L54 L57 G58 V61 C139 A140 G144 G145 V146 | F33-F142 HydrophobicContact CE2-CB 3.79Å; F33-F142 AromaticContact CE2-CD1 4Å; F33-F142 HydrophobicContact CE2-CD1 4Å; F33-F142 HydrophobicContact CE2-CD2 4.01Å; F33-F142 AromaticContact CE2-CG 3.66Å; F33-F142 HydrophobicContact CE2-CG 3.66Å; F33-F142 HydrophobicContact CZ-CB 3.91Å; F33-F142 HydrophobicContact CZ-CG 4.28Å; L54-F142 HydrophobicContact CB-CB 4.33Å; L54-F142 WeakPolarHBondContact O-CA 3.44Å; L54-F142 WeakPolarHBondContact O-CD2 3.34Å; L57-F142 HydrophobicContact CB-CD2 4.24Å; L57-F142 HydrophobicContact CB-CE2 4.21Å; G58-F142 VanDerWaalsContact CA-CE2 3.5Å; G58-F142 WeakPolarHBondContact CA-O 3.39Å; V61-F142 HydrophobicContact CB-CZ 4.42Å; V61-F142 HydrophobicContact CG2-CE2 4.42Å; V61-F142 HydrophobicContact CG2-CZ 4.02Å; C139-F142 PolarHBondContact O-N 3.07Å; C139-F142 VanDerWaalsContact O-N 3.13Å; A140-F142 PolarHBondContact O-N 3.07Å; F142-G144 VanDerWaalsContact C-N 3.27Å; F142-G144 PolarHBondContact O-N 3.01Å; F142-G145 PolarHBondContact O-N 3.18Å; F142-G145 VanDerWaalsContact O-N 3.14Å; F142-V146 HydrophobicContact CD1-CG2 4.4Å; F142-V146 HydrophobicContact CE1-CG2 4.05Å; F142-V146 HydrophobicContact CZ-CG2 4.36Å; F142-V146 PolarHBondContact O-N 3.11Å |
| 143 | T | 93.7 | Very high | 84.2 | Confident | 4 Ų | 4 | 32.9 Ų | 32.9 | 3% | 0.025 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.8 | -38.4 | 174.5 | -48.4 | 0 | 0 | 0 | 0 | 111.8 | W94 L97 F98 L123 A140 G145 V146 V147 L170 | W94-T143 HydrophobicContact CH2-CG2 4.41Å; L97-T143 HydrophobicContact CD1-CG2 4.18Å; F98-T143 HydrophobicContact CE2-CG2 4.01Å; F98-T143 HydrophobicContact CZ-CG2 3.83Å; L123-T143 HydrophobicContact CD1-CG2 4.08Å; A140-T143 CarbonylContact O-C 3.52Å; A140-T143 WeakPolarHBondContact O-CA 3.21Å; A140-T143 WeakPolarHBondContact O-CB 3.13Å; A140-T143 PolarHBondContact O-N 2.79Å; T143-G145 VanDerWaalsContact C-N 3.32Å; T143-G145 PolarHBondContact O-N 3.24Å; T143-V146 WeakPolarHBondContact O-CB 3.46Å; T143-V146 PolarHBondContact O-N 2.98Å; T143-V147 WeakPolarHBondContact O-CG2 3.23Å; T143-V147 PolarHBondContact O-N 2.78Å; T143-L170 HydrophobicContact CG2-CD1 4.09Å |
| 144 | G | 95.4 | Very high | 86.2 | Confident | 3 Ų | 3 | 24.4 Ų | 24.4 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60 | -42.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A140 A141 F142 V147 E148 | A140-G144 PolarHBondContact O-N 3.35Å; A141-G144 PolarHBondContact O-N 2.7Å; F142-G144 VanDerWaalsContact C-N 3.27Å; F142-G144 PolarHBondContact O-N 3.01Å; G144-V147 PolarHBondContact O-N 3.26Å; G144-E148 WeakPolarHBondContact O-CB 3.33Å; G144-E148 PolarHBondContact O-N 3.24Å |
| 145 | G | 97.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.6 | -44.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A55 Q59 A141 F142 T143 V147 E148 A149 | A55-G145 VanDerWaalsContact O-CA 3.28Å; A55-G145 WeakPolarHBondContact O-CA 3.48Å; Q59-G145 WeakPolarHBondContact CA-O 3.13Å; Q59-G145 VanDerWaalsContact CG-O 3.28Å; Q59-G145 WeakPolarHBondContact CG-O 3.46Å; A141-G145 PolarHBondContact O-N 2.85Å; F142-G145 PolarHBondContact O-N 3.18Å; F142-G145 VanDerWaalsContact O-N 3.14Å; T143-G145 VanDerWaalsContact C-N 3.32Å; T143-G145 PolarHBondContact O-N 3.24Å; G145-V147 VanDerWaalsContact C-N 3.32Å; G145-V147 PolarHBondContact O-N 2.99Å; G145-E148 PolarHBondContact O-N 3.46Å; G145-A149 PolarHBondContact O-N 3.44Å |
| 146 | V | 97.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.4 | -47.5 | 175 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | G58 V61 L65 L97 F142 T143 I150 | G58-V146 WeakPolarHBondContact O-CA 3.41Å; G58-V146 VanDerWaalsContact O-CG2 3.25Å; G58-V146 WeakPolarHBondContact O-CG2 3.32Å; G58-V146 PolarHBondContact O-N 3.06Å; V61-V146 HydrophobicContact CB-CG2 4.3Å; V61-V146 HydrophobicContact CG1-CG2 4.43Å; L65-V146 HydrophobicContact CD2-CG1 4.25Å; L97-V146 HydrophobicContact CD1-CG1 4.17Å; F142-V146 HydrophobicContact CD1-CG2 4.4Å; F142-V146 HydrophobicContact CE1-CG2 4.05Å; F142-V146 HydrophobicContact CZ-CG2 4.36Å; F142-V146 PolarHBondContact O-N 3.11Å; T143-V146 WeakPolarHBondContact O-CB 3.46Å; T143-V146 PolarHBondContact O-N 2.98Å; V146-I150 HydrophobicContact CG1-CD1 3.92Å; V146-I150 VanDerWaalsContact O-CG1 3.31Å; V146-I150 WeakPolarHBondContact O-CG1 3.34Å; V146-I150 PolarHBondContact O-N 2.86Å |
| 147 | V | 98 | Very high | 92.3 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.6 | -43.6 | 179.8 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | I89 W94 T143 G144 G145 A149 I150 L151 V160 I172 | I89-V147 HydrophobicContact CD1-CG1 3.97Å; I89-V147 HydrophobicContact CG2-CG1 4.11Å; I89-V147 HydrophobicContact CG2-CG2 3.91Å; W94-V147 HydrophobicContact CZ3-CG2 3.94Å; T143-V147 WeakPolarHBondContact O-CG2 3.23Å; T143-V147 PolarHBondContact O-N 2.78Å; G144-V147 PolarHBondContact O-N 3.26Å; G145-V147 VanDerWaalsContact C-N 3.32Å; G145-V147 PolarHBondContact O-N 2.99Å; V147-A149 VanDerWaalsContact C-N 3.34Å; V147-A149 PolarHBondContact O-N 2.94Å; V147-I150 PolarHBondContact O-N 2.99Å; V147-L151 HydrophobicContact CG1-CD1 3.95Å; V147-L151 HydrophobicContact CG1-CG 4.37Å; V147-L151 WeakPolarHBondContact O-CB 3.17Å; V147-L151 WeakPolarHBondContact O-CG 3.35Å; V147-L151 PolarHBondContact O-N 3.39Å; V147-V160 HydrophobicContact CG1-CG2 4.23Å; V147-I172 HydrophobicContact CG1-CD1 4.1Å; V147-I172 HydrophobicContact CG1-CG1 4.47Å |
| 148 | E | 98.5 | Very high | 94 | Very high | 22 Ų | 22 | 16.2 Ų | 16.2 | 10% | 0.103 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.6 | -45.3 | 178.1 | -171 | 164.9 | 121.5 | 0 | 0 | 111.1 | G144 G145 T152 K159 V160 | G144-E148 WeakPolarHBondContact O-CB 3.33Å; G144-E148 PolarHBondContact O-N 3.24Å; G145-E148 PolarHBondContact O-N 3.46Å; E148-T152 VanDerWaalsContact O-CB 3.31Å; E148-T152 WeakPolarHBondContact O-CB 3.17Å; E148-T152 PolarHBondContact O-N 2.91Å; E148-T152 PolarHBondContact O-OG1 3.17Å; E148-K159 IonicContact OE1-NZ 2.88Å; E148-K159 PolarHBondContact OE1-NZ 3.43Å; E148-K159 IonicContact OE2-NZ 3Å; E148-K159 PolarHBondContact OE2-NZ 3.42Å; E148-V160 HydrophobicContact CB-CB 3.98Å; E148-V160 HydrophobicContact CB-CG2 3.67Å; E148-V160 HydrophobicContact CG-CG2 4.18Å; E148-V160 PolarHBondContact OE2-N 3.43Å |
| 149 | A | 98.5 | Very high | 95.3 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 3% | 0.025 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.6 | -46.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q59 G145 V147 L151 T152 H153 | Q59-A149 HydrophobicContact CB-CB 3.99Å; Q59-A149 HydrophobicContact CG-CB 4.17Å; Q59-A149 VanDerWaalsContact O-CB 3.23Å; Q59-A149 WeakPolarHBondContact O-CB 3.33Å; G145-A149 PolarHBondContact O-N 3.44Å; V147-A149 VanDerWaalsContact C-N 3.34Å; V147-A149 PolarHBondContact O-N 2.94Å; A149-L151 VanDerWaalsContact C-N 3.32Å; A149-L151 PolarHBondContact O-N 3.37Å; A149-T152 PolarHBondContact O-N 3.08Å; A149-H153 VanDerWaalsContact O-CB 3.3Å; A149-H153 WeakPolarHBondContact O-CB 3.49Å; A149-H153 PolarHBondContact O-CD2 3.11Å; A149-H153 PolarHBondContact O-N 3.15Å |
| 150 | I | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58 | -45.8 | 178.9 | -75.7 | 171.9 | 0 | 0 | 0 | 111.2 | G62 L65 L66 F88 I89 V93 V146 V147 S154 | G62-I150 WeakPolarHBondContact O-CG1 3.37Å; L65-I150 HydrophobicContact CD2-CD1 4.4Å; L66-I150 HydrophobicContact CB-CG1 4.33Å; L66-I150 HydrophobicContact CD1-CG2 4.26Å; F88-I150 HydrophobicContact CD1-CG2 4.4Å; F88-I150 HydrophobicContact CE1-CG2 4.08Å; I89-I150 HydrophobicContact CG1-CG2 4.27Å; V93-I150 HydrophobicContact CB-CD1 4.38Å; V93-I150 HydrophobicContact CG1-CD1 3.68Å; V93-I150 HydrophobicContact CG2-CD1 3.72Å; V93-I150 HydrophobicContact CG2-CG2 4.48Å; V146-I150 HydrophobicContact CG1-CD1 3.92Å; V146-I150 VanDerWaalsContact O-CG1 3.31Å; V146-I150 WeakPolarHBondContact O-CG1 3.34Å; V146-I150 PolarHBondContact O-N 2.86Å; V147-I150 PolarHBondContact O-N 2.99Å; I150-S154 WeakPolarHBondContact O-CB 3.15Å; I150-S154 PolarHBondContact O-N 3.23Å; I150-S154 PolarHBondContact O-OG 3.22Å |
| 151 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.4 | -51.4 | 177.6 | -74 | 174.2 | 0 | 0 | 0 | 111.5 | I85 I89 V147 A149 S154 G155 F156 A158 V160 I172 F174 | I85-L151 HydrophobicContact CG1-CD2 3.82Å; I85-L151 HydrophobicContact CG2-CD2 4.1Å; I89-L151 HydrophobicContact CD1-CD1 4.15Å; I89-L151 HydrophobicContact CD1-CD2 3.33Å; I89-L151 HydrophobicContact CD1-CG 3.62Å; V147-L151 HydrophobicContact CG1-CD1 3.95Å; V147-L151 HydrophobicContact CG1-CG 4.37Å; V147-L151 WeakPolarHBondContact O-CB 3.17Å; V147-L151 WeakPolarHBondContact O-CG 3.35Å; V147-L151 PolarHBondContact O-N 3.39Å; A149-L151 VanDerWaalsContact C-N 3.32Å; A149-L151 PolarHBondContact O-N 3.37Å; L151-S154 PolarHBondContact O-N 2.84Å; L151-G155 PolarHBondContact O-N 2.96Å; L151-F156 CarbonylContact C-O 3.36Å; L151-F156 VanDerWaalsContact C-O 3.31Å; L151-F156 WeakPolarHBondContact CB-O 3.05Å; L151-F156 HydrophobicContact CD2-CB 4.38Å; L151-F156 CarbonylContact O-C 3.58Å; L151-F156 WeakPolarHBondContact O-CA 3.46Å; L151-F156 PolarHBondContact O-N 2.67Å; L151-A158 HydrophobicContact CB-CB 4.48Å; L151-A158 HydrophobicContact CD1-CB 4.02Å; L151-V160 HydrophobicContact CD1-CG2 4.27Å; L151-I172 HydrophobicContact CD1-CD1 4.33Å; L151-I172 HydrophobicContact CD1-CG1 4.48Å; L151-I172 HydrophobicContact CD1-CG2 3.46Å; L151-I172 VanDerWaalsContact CD1-CG2 3.46Å; L151-F174 HydrophobicContact CD1-CE1 4.14Å; L151-F174 HydrophobicContact CD1-CZ 4.31Å; L151-F174 HydrophobicContact CD2-CE1 3.9Å; L151-F174 HydrophobicContact CD2-CZ 3.99Å; L151-F174 HydrophobicContact CG-CE1 4.48Å |
| 152 | T | 97.9 | Very high | 96.9 | Very high | 64 Ų | 64 | 24.6 Ų | 24.6 | 39% | 0.393 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -62.3 | -48.7 | -177 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | E148 A149 S154 G155 | E148-T152 VanDerWaalsContact O-CB 3.31Å; E148-T152 WeakPolarHBondContact O-CB 3.17Å; E148-T152 PolarHBondContact O-N 2.91Å; E148-T152 PolarHBondContact O-OG1 3.17Å; A149-T152 PolarHBondContact O-N 3.08Å; T152-S154 VanDerWaalsContact C-N 3.27Å; T152-S154 PolarHBondContact O-N 3.44Å; T152-G155 PolarHBondContact O-N 3.4Å |
| 153 | H | 97.7 | Very high | 96.7 | Very high | 121 Ų | 121 | 27.7 Ų | 27.7 | 56% | 0.56 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -68 | -25 | 178 | -75.9 | -103.6 | 0 | 0 | 0 | 113 | L66 A149 G155 | L66-H153 HydrophobicContact CD2-CB 3.64Å; A149-H153 VanDerWaalsContact O-CB 3.3Å; A149-H153 WeakPolarHBondContact O-CB 3.49Å; A149-H153 PolarHBondContact O-CD2 3.11Å; A149-H153 PolarHBondContact O-N 3.15Å; H153-G155 PolarHBondContact O-N 3.3Å |
| 154 | S | 96.9 | Very high | 96.3 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 5% | 0.049 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -7.6 | 171.9 | -62.2 | 0 | 0 | 0 | 0 | 113.1 | L66 R78 I150 L151 T152 | L66-S154 WeakPolarHBondContact CD1-OG 3.48Å; L66-S154 WeakPolarHBondContact CD2-OG 3.24Å; R78-S154 PolarHBondContact NE-O 3.32Å; R78-S154 PolarHBondContact NH2-O 2.95Å; I150-S154 WeakPolarHBondContact O-CB 3.15Å; I150-S154 PolarHBondContact O-N 3.23Å; I150-S154 PolarHBondContact O-OG 3.22Å; L151-S154 PolarHBondContact O-N 2.84Å; T152-S154 VanDerWaalsContact C-N 3.27Å; T152-S154 PolarHBondContact O-N 3.44Å |
| 155 | G | 97.4 | Very high | 95.8 | Very high | 20 Ų | 20 | 38.7 Ų | 38.7 | 21% | 0.206 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | 24.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L151 T152 H153 P157 R181 | L151-G155 PolarHBondContact O-N 2.96Å; T152-G155 PolarHBondContact O-N 3.4Å; H153-G155 PolarHBondContact O-N 3.3Å; G155-P157 VanDerWaalsContact C-CD 3.44Å; G155-P157 WeakPolarHBondContact O-CD 3.43Å; G155-R181 PolarHBondContact O-NH1 3.49Å; G155-R181 PolarHBondContact O-NH2 3.41Å |
| 156 | F | 98.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | trans | -120.8 | 69.2 | 174.2 | -56.7 | -99.3 | 0 | 0 | 0 | 108.9 | E79 V82 I85 L151 A158 F174 V178 | E79-F156 WeakPolarHBondContact O-CE2 3.48Å; V82-F156 HydrophobicContact CG2-CD1 4.06Å; V82-F156 HydrophobicContact CG2-CE1 4.15Å; I85-F156 HydrophobicContact CB-CD2 4.19Å; I85-F156 HydrophobicContact CB-CE2 3.92Å; I85-F156 HydrophobicContact CB-CZ 4.1Å; I85-F156 HydrophobicContact CD1-CE2 4.46Å; I85-F156 HydrophobicContact CG1-CD2 4.01Å; I85-F156 HydrophobicContact CG1-CE2 4.07Å; I85-F156 HydrophobicContact CG2-CD1 3.81Å; I85-F156 HydrophobicContact CG2-CD2 3.95Å; I85-F156 HydrophobicContact CG2-CE1 3.81Å; I85-F156 HydrophobicContact CG2-CE2 3.96Å; I85-F156 HydrophobicContact CG2-CG 3.89Å; I85-F156 HydrophobicContact CG2-CZ 3.88Å; L151-F156 CarbonylContact C-O 3.36Å; L151-F156 VanDerWaalsContact C-O 3.31Å; L151-F156 WeakPolarHBondContact CB-O 3.05Å; L151-F156 HydrophobicContact CD2-CB 4.38Å; L151-F156 CarbonylContact O-C 3.58Å; L151-F156 WeakPolarHBondContact O-CA 3.46Å; L151-F156 PolarHBondContact O-N 2.67Å; F156-A158 PolarHBondContact O-N 3.1Å; F156-F174 HydrophobicContact CB-CD1 4.2Å; F156-F174 HydrophobicContact CB-CE1 3.75Å; F156-V178 HydrophobicContact CB-CG1 4.31Å; F156-V178 HydrophobicContact CD1-CG1 3.79Å | ||
| 157 | P | 98.1 | Very high | 94.7 | Very high | 46 Ų | 46 | 45.4 Ų | 45.4 | 30% | 0.299 | 23% | 0.231 | S | C | . | . | trans | -53.8 | 130.4 | 178.9 | 24.8 | -36.1 | 0 | 0 | 0 | 110.7 | G155 D175 V178 | G155-P157 VanDerWaalsContact C-CD 3.44Å; G155-P157 WeakPolarHBondContact O-CD 3.43Å; P157-D175 WeakPolarHBondContact CB-OD2 3.49Å; P157-D175 HydrophobicContact CG-CB 4.33Å; P157-D175 PolarHBondContact O-N 3.02Å; P157-D175 VanDerWaalsContact O-N 3.09Å; P157-V178 VanDerWaalsContact CD-CG2 3.48Å; P157-V178 HydrophobicContact CG-CG2 3.67Å | ||
| 158 | A | 98.1 | Very high | 94.2 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 8% | 0.083 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 156.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | L151 F156 I172 K173 F174 | L151-A158 HydrophobicContact CB-CB 4.48Å; L151-A158 HydrophobicContact CD1-CB 4.02Å; F156-A158 PolarHBondContact O-N 3.1Å; A158-I172 HydrophobicContact CB-CG2 4.12Å; A158-K173 CarbonylContact C-O 3.45Å; A158-K173 VanDerWaalsContact CA-O 3.27Å; A158-K173 WeakPolarHBondContact CA-O 3.48Å; A158-F174 HydrophobicContact CB-CD1 3.63Å; A158-F174 HydrophobicContact CB-CE1 3.92Å; A158-F174 HydrophobicContact CB-CG 4.35Å |
| 159 | K | 98.2 | Very high | 93.9 | Very high | 117 Ų | 117 | 44.6 Ų | 44.6 | 51% | 0.509 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 127.8 | 165.8 | -168.8 | 71.1 | -158.4 | 145.1 | 0 | 110.3 | E148 T161 K173 | E148-K159 IonicContact OE1-NZ 2.88Å; E148-K159 PolarHBondContact OE1-NZ 3.43Å; E148-K159 IonicContact OE2-NZ 3Å; E148-K159 PolarHBondContact OE2-NZ 3.42Å; K159-T161 HydrophobicContact CG-CG2 4.47Å; K159-K173 PolarHBondContact N-O 3.28Å; K159-K173 PolarHBondContact O-N 3.45Å |
| 160 | V | 97.7 | Very high | 93.8 | Very high | 11 Ų | 11 | 44.6 Ų | 44.6 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 130.8 | 177.8 | -173 | 0 | 0 | 0 | 0 | 109.6 | V147 E148 L151 L170 M171 I172 | V147-V160 HydrophobicContact CG1-CG2 4.23Å; E148-V160 HydrophobicContact CB-CB 3.98Å; E148-V160 HydrophobicContact CB-CG2 3.67Å; E148-V160 HydrophobicContact CG-CG2 4.18Å; E148-V160 PolarHBondContact OE2-N 3.43Å; L151-V160 HydrophobicContact CD1-CG2 4.27Å; V160-L170 HydrophobicContact CG1-CD2 3.5Å; V160-M171 CarbonylContact C-O 3.54Å; V160-M171 VanDerWaalsContact CA-O 3.31Å; V160-M171 WeakPolarHBondContact CA-O 3.17Å; V160-I172 HydrophobicContact CG1-CG1 4.41Å; V160-I172 HydrophobicContact CG2-CG1 4.24Å |
| 161 | T | 94.2 | Very high | 93.7 | Very high | 46 Ų | 46 | 46.8 Ų | 46.8 | 28% | 0.282 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 157.2 | 176.3 | 57.9 | 0 | 0 | 0 | 0 | 110.2 | K159 H163 L170 M171 | K159-T161 HydrophobicContact CG-CG2 4.47Å; T161-H163 PolarHBondContact OG1-NE2 3.38Å; T161-L170 CarbonylContact O-C 3.54Å; T161-L170 WeakPolarHBondContact O-CA 3.31Å; T161-M171 PolarHBondContact N-O 2.89Å; T161-M171 PolarHBondContact O-N 3.5Å; T161-M171 WeakPolarHBondContact OG1-CE 3.31Å |
| 162 | V | 91.3 | Very high | 93.7 | Very high | 21 Ų | 21 | 46.8 Ų | 46.8 | 13% | 0.127 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134.1 | -174.3 | -67.6 | 0 | 0 | 0 | 0 | 111.5 | N138 A140 A141 T169 L170 | N138-V162 HydrophobicContact CB-CG2 3.99Å; N138-V162 WeakPolarHBondContact ND2-CB 3.48Å; A140-V162 HydrophobicContact CB-CG1 4.13Å; A141-V162 HydrophobicContact CB-CG2 3.98Å; V162-T169 WeakPolarHBondContact CA-O 3.48Å; V162-L170 HydrophobicContact CG1-CD2 3.33Å; V162-L170 HydrophobicContact CG1-CG 3.95Å |
| 163 | H | 88.8 | Confident | 93.7 | Very high | 83 Ų | 83 | 48.2 Ų | 48.2 | 38% | 0.384 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 152.3 | -173.5 | -59.5 | -82.4 | 0 | 0 | 0 | 110.9 | T161 H165 T169 | T161-H163 PolarHBondContact OG1-NE2 3.38Å; H163-H165 PolarHBondContact O-N 2.83Å; H163-T169 PolarHBondContact N-O 3.42Å; H163-T169 PolarHBondContact O-N 3.37Å |
| 164 | W | 86.2 | Confident | 93.8 | Very high | 133 Ų | 133 | 42.7 Ų | 42.7 | 50% | 0.504 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 92.9 | 168.3 | -66.8 | 113.5 | 0 | 0 | 0 | 109 | P122 N138 G167 T168 | P122-W164 HydrophobicContact CB-CH2 4.43Å; N138-W164 HydrophobicContact CB-CZ2 4.41Å; W164-G167 CarbonylContact C-O 3.54Å; W164-G167 WeakPolarHBondContact CA-O 3.4Å; W164-T168 WeakPolarHBondContact CZ3-OG1 3.42Å |
| 165 | H | 85.1 | Confident | 93.8 | Very high | 106 Ų | 106 | 46.3 Ų | 46.3 | 49% | 0.491 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -146.1 | 124.2 | 178.4 | -175 | 70 | 0 | 0 | 0 | 108.8 | H163 G167 T169 | H163-H165 PolarHBondContact O-N 2.83Å; H165-G167 CarbonylContact C-O 3.58Å; H165-G167 PolarHBondContact N-O 3.45Å; H165-G167 CarbonylContact O-C 3.48Å; H165-G167 PolarHBondContact O-N 2.85Å; H165-T169 PolarHBondContact O-OG1 2.8Å |
| 166 | K | 84.3 | Confident | 93.8 | Very high | 116 Ų | 116 | 52.1 Ų | 52.1 | 50% | 0.504 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 49.3 | 31.3 | -174 | -62 | 170.2 | 179.3 | 172.1 | 0 | 113.5 | E106 I118 | E106-K166 IonicContact OE1-NZ 2.95Å; E106-K166 IonicContact OE2-NZ 2.94Å; E106-K166 PolarHBondContact OE2-NZ 2.95Å; I118-K166 HydrophobicContact CD1-CD 4.06Å; I118-K166 HydrophobicContact CG2-CB 3.89Å |
| 167 | G | 86.1 | Confident | 93.8 | Very high | 25 Ų | 25 | 55.6 Ų | 55.6 | 26% | 0.258 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 111.2 | -143.4 | -166.4 | 0 | 0 | 0 | 0 | 0 | 111 | E119 W164 H165 | E119-G167 CarbonylContact O-C 3.56Å; E119-G167 WeakPolarHBondContact O-CA 3.24Å; W164-G167 CarbonylContact C-O 3.54Å; W164-G167 WeakPolarHBondContact CA-O 3.4Å; H165-G167 CarbonylContact C-O 3.58Å; H165-G167 PolarHBondContact N-O 3.45Å; H165-G167 CarbonylContact O-C 3.48Å; H165-G167 PolarHBondContact O-N 2.85Å |
| 168 | T | 88.1 | Confident | 93.8 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 119.7 | 171.2 | -56 | 0 | 0 | 0 | 0 | 109 | E119 A140 W164 | E119-T168 PolarHBondContact N-O 3.46Å; E119-T168 PolarHBondContact O-N 3.45Å; A140-T168 HydrophobicContact CB-CG2 3.44Å; A140-T168 VanDerWaalsContact CB-CG2 3.44Å; W164-T168 WeakPolarHBondContact CZ3-OG1 3.42Å |
| 169 | T | 92.7 | Very high | 93.7 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 129.4 | 177.8 | -71.7 | 0 | 0 | 0 | 0 | 110.9 | Y116 I117 I118 V162 H163 H165 | Y116-T169 HydrophobicContact CD1-CG2 3.76Å; Y116-T169 HydrophobicContact CG-CG2 4.27Å; I117-T169 WeakPolarHBondContact O-CA 3.44Å; I118-T169 HydrophobicContact CG1-CG2 4.28Å; V162-T169 WeakPolarHBondContact CA-O 3.48Å; H163-T169 PolarHBondContact N-O 3.42Å; H163-T169 PolarHBondContact O-N 3.37Å; H165-T169 PolarHBondContact O-OG1 2.8Å |
| 170 | L | 95.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 109.2 | 166.9 | -82 | 151.2 | 0 | 0 | 0 | 108.5 | W94 Y116 I117 L123 T143 V160 T161 V162 | W94-L170 HydrophobicContact CH2-CD1 3.35Å; W94-L170 HydrophobicContact CZ2-CD1 3.98Å; W94-L170 HydrophobicContact CZ3-CD1 4.33Å; Y116-L170 WeakPolarHBondContact CA-O 3.39Å; I117-L170 HydrophobicContact CB-CB 4.28Å; I117-L170 PolarHBondContact N-O 3.01Å; I117-L170 PolarHBondContact O-N 3.25Å; L123-L170 HydrophobicContact CD1-CD1 4.4Å; T143-L170 HydrophobicContact CG2-CD1 4.09Å; V160-L170 HydrophobicContact CG1-CD2 3.5Å; T161-L170 CarbonylContact O-C 3.54Å; T161-L170 WeakPolarHBondContact O-CA 3.31Å; V162-L170 HydrophobicContact CG1-CD2 3.33Å; V162-L170 HydrophobicContact CG1-CG 3.95Å |
| 171 | M | 96.9 | Very high | 93.6 | Very high | 46 Ų | 46 | 54.8 Ų | 54.8 | 23% | 0.227 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 119.6 | 171.9 | -179.7 | 176.7 | 76.7 | 0 | 0 | 108.8 | T114 Y116 V160 T161 | T114-M171 HydrophobicContact CG2-CG 3.75Å; T114-M171 HydrophobicContact CG2-SD 4.02Å; Y116-M171 HydrophobicContact CD1-CB 3.94Å; Y116-M171 HydrophobicContact CD1-CG 4.02Å; Y116-M171 HydrophobicContact CE1-CB 3.85Å; Y116-M171 HydrophobicContact CE1-CG 3.55Å; Y116-M171 HydrophobicContact CE1-SD 3.93Å; V160-M171 CarbonylContact C-O 3.54Å; V160-M171 VanDerWaalsContact CA-O 3.31Å; V160-M171 WeakPolarHBondContact CA-O 3.17Å; T161-M171 PolarHBondContact N-O 2.89Å; T161-M171 PolarHBondContact O-N 3.5Å; T161-M171 WeakPolarHBondContact OG1-CE 3.31Å |
| 172 | I | 98.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 115.1 | 178.2 | -57.8 | 168.5 | 0 | 0 | 0 | 107 | L86 T114 Y115 I117 V147 L151 A158 V160 F174 | L86-I172 HydrophobicContact CD2-CD1 3.83Å; T114-I172 WeakPolarHBondContact CA-O 3.49Å; Y115-I172 PolarHBondContact N-O 2.97Å; Y115-I172 PolarHBondContact O-N 2.81Å; I117-I172 HydrophobicContact CD1-CD1 3.84Å; I117-I172 HydrophobicContact CG1-CD1 4.04Å; V147-I172 HydrophobicContact CG1-CD1 4.1Å; V147-I172 HydrophobicContact CG1-CG1 4.47Å; L151-I172 HydrophobicContact CD1-CD1 4.33Å; L151-I172 HydrophobicContact CD1-CG1 4.48Å; L151-I172 HydrophobicContact CD1-CG2 3.46Å; L151-I172 VanDerWaalsContact CD1-CG2 3.46Å; A158-I172 HydrophobicContact CB-CG2 4.12Å; V160-I172 HydrophobicContact CG1-CG1 4.41Å; V160-I172 HydrophobicContact CG2-CG1 4.24Å; I172-F174 HydrophobicContact CG2-CD2 4.41Å; I172-F174 HydrophobicContact CG2-CE1 4.24Å; I172-F174 HydrophobicContact CG2-CE2 3.93Å; I172-F174 HydrophobicContact CG2-CZ 3.84Å |
| 173 | K | 98.5 | Very high | 93.8 | Very high | 95 Ų | 95 | 57.9 Ų | 57.9 | 41% | 0.413 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 110.3 | 176 | -171.5 | 168.3 | -169.6 | 169.6 | 0 | 109.6 | D111 K113 A158 K159 | D111-K173 IonicContact OD2-NZ 3.81Å; K113-K173 WeakPolarHBondContact O-CA 3.45Å; A158-K173 CarbonylContact C-O 3.45Å; A158-K173 VanDerWaalsContact CA-O 3.27Å; A158-K173 WeakPolarHBondContact CA-O 3.48Å; K159-K173 PolarHBondContact N-O 3.28Å; K159-K173 PolarHBondContact O-N 3.45Å |
| 174 | F | 98.6 | Very high | 94.1 | Very high | 5 Ų | 5 | 57.3 Ų | 57.3 | 2% | 0.022 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 151.7 | 178.2 | -70.4 | -71.3 | 0 | 0 | 0 | 112 | V82 L86 K113 Y115 L151 F156 A158 I172 V178 I179 | V82-F174 HydrophobicContact CG1-CD2 4.16Å; V82-F174 HydrophobicContact CG1-CE2 3.63Å; V82-F174 HydrophobicContact CG1-CZ 4.08Å; L86-F174 HydrophobicContact CD1-CE2 4.23Å; L86-F174 HydrophobicContact CD2-CE2 4.05Å; L86-F174 HydrophobicContact CD2-CZ 3.91Å; L86-F174 HydrophobicContact CG-CE2 4.33Å; L86-F174 HydrophobicContact CG-CZ 4.27Å; K113-F174 PolarHBondContact O-N 2.9Å; Y115-F174 AromaticContact CD2-CD2 3.65Å; Y115-F174 HydrophobicContact CD2-CD2 3.65Å; Y115-F174 AromaticContact CD2-CE2 3.53Å; Y115-F174 HydrophobicContact CD2-CE2 3.53Å; Y115-F174 AromaticContact CE2-CD2 3.72Å; Y115-F174 HydrophobicContact CE2-CD2 3.72Å; Y115-F174 AromaticContact CE2-CE2 3.79Å; Y115-F174 HydrophobicContact CE2-CE2 3.79Å; Y115-F174 HydrophobicContact CG-CE2 4.43Å; L151-F174 HydrophobicContact CD1-CE1 4.14Å; L151-F174 HydrophobicContact CD1-CZ 4.31Å; L151-F174 HydrophobicContact CD2-CE1 3.9Å; L151-F174 HydrophobicContact CD2-CZ 3.99Å; L151-F174 HydrophobicContact CG-CE1 4.48Å; F156-F174 HydrophobicContact CB-CD1 4.2Å; F156-F174 HydrophobicContact CB-CE1 3.75Å; A158-F174 HydrophobicContact CB-CD1 3.63Å; A158-F174 HydrophobicContact CB-CE1 3.92Å; A158-F174 HydrophobicContact CB-CG 4.35Å; I172-F174 HydrophobicContact CG2-CD2 4.41Å; I172-F174 HydrophobicContact CG2-CE1 4.24Å; I172-F174 HydrophobicContact CG2-CE2 3.93Å; I172-F174 HydrophobicContact CG2-CZ 3.84Å; F174-V178 HydrophobicContact CB-CB 4.19Å; F174-V178 HydrophobicContact CB-CG1 4.33Å; F174-V178 HydrophobicContact CD1-CB 4.47Å; F174-V178 HydrophobicContact CD1-CG1 3.95Å; F174-V178 HydrophobicContact CG-CG1 4.24Å; F174-I179 HydrophobicContact CB-CD1 4.15Å; F174-I179 HydrophobicContact CB-CG1 4.3Å; F174-I179 HydrophobicContact CD2-CD1 4.26Å; F174-I179 HydrophobicContact CG-CD1 4.45Å |
| 175 | D | 98.4 | Very high | 94.3 | Very high | 82 Ų | 82 | 53.6 Ų | 53.6 | 44% | 0.439 | 29% | 0.289 | S | S | . | . | trans | -63.9 | 146.4 | 166.4 | -71 | -4.3 | 0 | 0 | 0 | 110.1 | P157 A177 V178 | P157-D175 WeakPolarHBondContact CB-OD2 3.49Å; P157-D175 HydrophobicContact CG-CB 4.33Å; P157-D175 PolarHBondContact O-N 3.02Å; P157-D175 VanDerWaalsContact O-N 3.09Å; D175-A177 PolarHBondContact O-N 3.1Å; D175-A177 VanDerWaalsContact O-N 3.16Å; D175-V178 HydrophobicContact CB-CG2 4.34Å; D175-V178 WeakPolarHBondContact O-CB 3.39Å; D175-V178 PolarHBondContact O-N 3.24Å | ||
| 176 | E | 97.3 | Very high | 94.1 | Very high | 142 Ų | 142 | 54.9 Ų | 54.9 | 66% | 0.664 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -57.7 | -34.4 | -178.1 | -175.9 | 163.8 | -169 | 0 | 0 | 112.9 | K113 V178 I179 A180 | K113-E176 HydrophobicContact CD-CB 4.27Å; E176-V178 PolarHBondContact O-N 3.09Å; E176-I179 PolarHBondContact O-N 3.07Å; E176-A180 WeakPolarHBondContact O-CB 3.3Å; E176-A180 PolarHBondContact O-N 3.32Å |
| 177 | A | 97.4 | Very high | 93.1 | Very high | 75 Ų | 75 | 53 Ų | 53 | 62% | 0.62 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60.5 | -30.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D175 R181 | D175-A177 PolarHBondContact O-N 3.1Å; D175-A177 VanDerWaalsContact O-N 3.16Å; A177-R181 VanDerWaalsContact O-CB 3.28Å; A177-R181 WeakPolarHBondContact O-CB 3.16Å; A177-R181 PolarHBondContact O-N 2.75Å |
| 178 | V | 97.8 | Very high | 91.4 | Very high | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.018 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69.7 | -47.6 | 178.4 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | V82 F156 P157 F174 D175 E176 R181 D182 | V82-V178 HydrophobicContact CG2-CG1 3.79Å; F156-V178 HydrophobicContact CB-CG1 4.31Å; F156-V178 HydrophobicContact CD1-CG1 3.79Å; P157-V178 VanDerWaalsContact CD-CG2 3.48Å; P157-V178 HydrophobicContact CG-CG2 3.67Å; F174-V178 HydrophobicContact CB-CB 4.19Å; F174-V178 HydrophobicContact CB-CG1 4.33Å; F174-V178 HydrophobicContact CD1-CB 4.47Å; F174-V178 HydrophobicContact CD1-CG1 3.95Å; F174-V178 HydrophobicContact CG-CG1 4.24Å; D175-V178 HydrophobicContact CB-CG2 4.34Å; D175-V178 WeakPolarHBondContact O-CB 3.39Å; D175-V178 PolarHBondContact O-N 3.24Å; E176-V178 PolarHBondContact O-N 3.09Å; V178-R181 PolarHBondContact O-N 3.19Å; V178-D182 WeakPolarHBondContact O-CB 3.32Å; V178-D182 PolarHBondContact O-N 3.11Å |
| 179 | I | 96.8 | Very high | 91.6 | Very high | 11 Ų | 11 | 67.2 Ų | 67.2 | 6% | 0.056 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.6 | -41.2 | 179.5 | -59.6 | -50.8 | 0 | 0 | 0 | 111 | V82 K113 Y115 F174 E176 R181 D182 K183 | V82-I179 HydrophobicContact CG2-CD1 4.28Å; K113-I179 HydrophobicContact CB-CG1 4.17Å; K113-I179 HydrophobicContact CG-CB 4.28Å; K113-I179 HydrophobicContact CG-CG1 3.54Å; Y115-I179 HydrophobicContact CE2-CD1 4.41Å; F174-I179 HydrophobicContact CB-CD1 4.15Å; F174-I179 HydrophobicContact CB-CG1 4.3Å; F174-I179 HydrophobicContact CD2-CD1 4.26Å; F174-I179 HydrophobicContact CG-CD1 4.45Å; E176-I179 PolarHBondContact O-N 3.07Å; I179-R181 VanDerWaalsContact C-N 3.32Å; I179-R181 PolarHBondContact O-N 3.03Å; I179-D182 PolarHBondContact O-N 3.49Å; I179-K183 HydrophobicContact CG2-CD 4.26Å; I179-K183 WeakPolarHBondContact O-CG 3.47Å; I179-K183 PolarHBondContact O-N 2.92Å |
| 180 | A | 96.2 | Very high | 91.5 | Very high | 60 Ų | 60 | 70.5 Ų | 70.5 | 50% | 0.496 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.8 | -44 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E176 A184 | E176-A180 WeakPolarHBondContact O-CB 3.3Å; E176-A180 PolarHBondContact O-N 3.32Å; A180-A184 WeakPolarHBondContact O-CB 3.35Å; A180-A184 PolarHBondContact O-N 3.42Å; A180-A184 VanDerWaalsContact O-N 3.12Å |
| 181 | R | 96.6 | Very high | 91.3 | Very high | 93 Ų | 93 | 74.3 Ų | 74.3 | 35% | 0.351 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 175 | -178.2 | -166.2 | 68.4 | -162.9 | -0.8 | 111.9 | G155 A177 V178 I179 A184 L185 | G155-R181 PolarHBondContact O-NH1 3.49Å; G155-R181 PolarHBondContact O-NH2 3.41Å; A177-R181 VanDerWaalsContact O-CB 3.28Å; A177-R181 WeakPolarHBondContact O-CB 3.16Å; A177-R181 PolarHBondContact O-N 2.75Å; V178-R181 PolarHBondContact O-N 3.19Å; I179-R181 VanDerWaalsContact C-N 3.32Å; I179-R181 PolarHBondContact O-N 3.03Å; R181-A184 PolarHBondContact O-N 2.9Å; R181-L185 HydrophobicContact CG-CD1 4.12Å; R181-L185 WeakPolarHBondContact O-CG 3.29Å; R181-L185 PolarHBondContact O-N 3.17Å; R181-L185 VanDerWaalsContact O-N 3.08Å |
| 182 | D | 96 | Very high | 91 | Very high | 19 Ų | 19 | 76 Ų | 76 | 10% | 0.102 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61 | -48.1 | -177.9 | -157.1 | 57.9 | 0 | 0 | 0 | 110.9 | K81 V82 V178 I179 A184 L185 E186 | K81-D182 VanDerWaalsContact CA-OD1 3.26Å; K81-D182 WeakPolarHBondContact CA-OD1 2.84Å; V82-D182 WeakPolarHBondContact CB-OD2 3.44Å; V82-D182 HydrophobicContact CG2-CB 3.78Å; V82-D182 VanDerWaalsContact CG2-CG 3.47Å; V82-D182 PolarHBondContact N-OD1 3.3Å; V178-D182 WeakPolarHBondContact O-CB 3.32Å; V178-D182 PolarHBondContact O-N 3.11Å; I179-D182 PolarHBondContact O-N 3.49Å; D182-A184 VanDerWaalsContact C-N 3.33Å; D182-A184 PolarHBondContact O-N 3.29Å; D182-L185 WeakPolarHBondContact O-CB 3.25Å; D182-L185 PolarHBondContact O-N 3.39Å; D182-E186 PolarHBondContact O-N 2.92Å; D182-E186 VanDerWaalsContact O-N 3.15Å |
| 183 | K | 94.6 | Very high | 90.5 | Very high | 114 Ų | 114 | 80.8 Ų | 80.8 | 50% | 0.496 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 174.8 | -69.9 | 178.2 | -178.6 | 176.2 | 0 | 112.7 | D112 I179 L185 E186 | D112-K183 WeakPolarHBondContact OD2-CE 3.36Å; D112-K183 IonicContact OD2-NZ 2.63Å; D112-K183 PolarHBondContact OD2-NZ 3.28Å; I179-K183 HydrophobicContact CG2-CD 4.26Å; I179-K183 WeakPolarHBondContact O-CG 3.47Å; I179-K183 PolarHBondContact O-N 2.92Å; K183-L185 PolarHBondContact O-N 3.06Å; K183-E186 PolarHBondContact O-N 3.08Å |
| 184 | A | 94.4 | Very high | 90 | Very high | 70 Ų | 70 | 79.8 Ų | 79.8 | 58% | 0.579 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -65.5 | -27.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | A180 R181 D182 | A180-A184 WeakPolarHBondContact O-CB 3.35Å; A180-A184 PolarHBondContact O-N 3.42Å; A180-A184 VanDerWaalsContact O-N 3.12Å; R181-A184 PolarHBondContact O-N 2.9Å; D182-A184 VanDerWaalsContact C-N 3.33Å; D182-A184 PolarHBondContact O-N 3.29Å |
| 185 | L | 91.1 | Very high | 89.4 | Confident | 55 Ų | 55 | 85.1 Ų | 85.1 | 29% | 0.288 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -83.3 | -17.6 | 175.9 | -68.6 | 172 | 0 | 0 | 0 | 113.2 | R181 D182 K183 G187 R188 | R181-L185 HydrophobicContact CG-CD1 4.12Å; R181-L185 WeakPolarHBondContact O-CG 3.29Å; R181-L185 PolarHBondContact O-N 3.17Å; R181-L185 VanDerWaalsContact O-N 3.08Å; D182-L185 WeakPolarHBondContact O-CB 3.25Å; D182-L185 PolarHBondContact O-N 3.39Å; K183-L185 PolarHBondContact O-N 3.06Å; L185-G187 VanDerWaalsContact C-N 3.31Å; L185-R188 PolarHBondContact O-N 2.72Å |
| 186 | E | 81.3 | Confident | 88.7 | Confident | 133 Ų | 133 | 85.4 Ų | 85.4 | 62% | 0.621 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -72.1 | -24.6 | 174.2 | -69.7 | -172.7 | 147.3 | 0 | 0 | 113 | D182 K183 R188 | D182-E186 PolarHBondContact O-N 2.92Å; D182-E186 VanDerWaalsContact O-N 3.15Å; K183-E186 PolarHBondContact O-N 3.08Å; E186-R188 PolarHBondContact O-N 3.18Å |
| 187 | G | 62.5 | Low | 88 | Confident | 76 Ų | 76 | 80.7 Ų | 80.7 | 78% | 0.784 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 10.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L185 | L185-G187 VanDerWaalsContact C-N 3.31Š|
| 188 | R | 51.1 | Low | 87.1 | Confident | 259 Ų | 259 | 81.2 Ų | 81.2 | 98% | 0.977 | 43% | 0.433 | S | S | * | . | trans | -130 | 0 | 178.6 | -69.3 | -175.8 | 179.3 | 176.5 | 0.7 | 110.5 | L185 E186 | L185-R188 PolarHBondContact O-N 2.72Å; E186-R188 PolarHBondContact O-N 3.18Å |
Retrieved 188 of 188 residues in 1424.8 ms
(Link to these results)