| 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 | 57 | Low | 52.8 | Low | 249 Ų | 249 | 147.1 Ų | 147.1 | 100% | 1.227 | 82% | 0.822 | S | S | * | * | 0 | 111.9 | 0 | -170.3 | 166.2 | 88.8 | 0 | 0 | 108.2 | |||||
| 2 | A | 41.7 | Very low | 53.9 | Low | 97 Ų | 97 | 142.2 Ų | 142.2 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | 146.8 | 147.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 3 | P | 49 | Very low | 55.1 | Low | 124 Ų | 124 | 139.5 Ų | 139.5 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | cis | -114.7 | 147.5 | -40.1 | 33 | -19.3 | 0 | 0 | 0 | 110.9 | A5 | P3-A5 PolarHBondContact O-N 3.3Š| ||
| 4 | K | 50.9 | Low | 56.2 | Low | 207 Ų | 207 | 141.8 Ų | 141.8 | 90% | 0.9 | 79% | 0.79 | S | S | * | * | trans | -64.7 | 122.9 | 171.5 | -77.8 | 179.8 | 176.7 | 175.3 | 0 | 108.9 | K6 | K4-K6 PolarHBondContact O-N 3.16Å; K4-K6 VanDerWaalsContact O-N 3.16Å | ||
| 5 | A | 51.5 | Low | 57.3 | Low | 98 Ų | 98 | 135.5 Ų | 135.5 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | trans | -55.1 | 118.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | P3 K7 | P3-A5 PolarHBondContact O-N 3.3Å; A5-K7 PolarHBondContact O-N 3.06Å; A5-K7 VanDerWaalsContact O-N 3.12Å | ||
| 6 | K | 50.9 | Low | 58.4 | Low | 201 Ų | 201 | 132 Ų | 132 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | trans | -60 | 114.4 | 167.4 | -75.2 | -178.9 | 175.5 | 178.8 | 0 | 106.8 | K4 E8 | K4-K6 PolarHBondContact O-N 3.16Å; K4-K6 VanDerWaalsContact O-N 3.16Å; K6-E8 PolarHBondContact O-N 3.12Å | ||
| 7 | K | 46.5 | Very low | 59.7 | Low | 210 Ų | 210 | 127.6 Ų | 127.6 | 91% | 0.913 | 72% | 0.723 | S | S | * | * | trans | -65.2 | 104.1 | 166.1 | -92.6 | -178 | 173.8 | 178.2 | 0 | 106.9 | A5 | A5-K7 PolarHBondContact O-N 3.06Å; A5-K7 VanDerWaalsContact O-N 3.12Å | ||
| 8 | E | 51 | Low | 61 | Low | 182 Ų | 182 | 128.7 Ų | 128.7 | 85% | 0.85 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 138 | 166.3 | -71.1 | 179.1 | 159.3 | 0 | 0 | 109.1 | K6 | K6-E8 PolarHBondContact O-N 3.12Š|
| 9 | A | 60.6 | Low | 62.2 | Low | 88 Ų | 88 | 125 Ų | 125 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 140.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | A11 | A9-A11 PolarHBondContact O-N 3.28Š|
| 10 | P | 59.3 | Low | 63.4 | Low | 115 Ų | 115 | 125.9 Ų | 125.9 | 75% | 0.747 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 130.3 | 179.6 | 24.3 | -32.4 | 0 | 0 | 0 | 109.6 | ||
| 11 | A | 62.1 | Low | 64.4 | Low | 47 Ų | 47 | 122.7 Ų | 122.7 | 39% | 0.388 | 69% | 0.692 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 147.2 | 177 | 0 | 0 | 0 | 0 | 0 | 109.4 | A9 E16 | A9-A11 PolarHBondContact O-N 3.28Å; A11-E16 HydrophobicContact CB-CG 4.03Å |
| 12 | P | 66.8 | Low | 65.9 | Low | 88 Ų | 88 | 115.7 Ų | 115.7 | 57% | 0.571 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 137.7 | -178.2 | 19.7 | -31 | 0 | 0 | 0 | 109.7 | K14 A15 E16 | P12-K14 PolarHBondContact O-N 3.06Å; P12-A15 HydrophobicContact CG-CB 4.08Å; P12-A15 WeakPolarHBondContact O-CB 3.36Å; P12-A15 PolarHBondContact O-N 3.44Å; P12-E16 PolarHBondContact O-N 2.76Å |
| 13 | P | 69.1 | Low | 67.9 | Low | 108 Ų | 108 | 119 Ų | 119 | 70% | 0.701 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -55.8 | -26.5 | -168.2 | 16.4 | -30.3 | 0 | 0 | 0 | 113.5 | A17 | P13-A17 WeakPolarHBondContact O-CB 3.41Å; P13-A17 PolarHBondContact O-N 2.9Å |
| 14 | K | 70.1 | Confident | 69.6 | Low | 171 Ų | 171 | 115.7 Ų | 115.7 | 74% | 0.743 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.8 | -35.2 | 173.6 | -67 | -176.7 | 178.7 | 178 | 0 | 113.6 | P12 K18 | P12-K14 PolarHBondContact O-N 3.06Å; K14-K18 VanDerWaalsContact O-CG 3.31Å; K14-K18 WeakPolarHBondContact O-CG 3.39Å; K14-K18 PolarHBondContact O-N 3.39Å; K14-K18 VanDerWaalsContact O-N 3.13Å |
| 15 | A | 73.4 | Confident | 71.3 | Confident | 47 Ų | 47 | 112.4 Ų | 112.4 | 39% | 0.388 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -73.7 | -40.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | P12 K18 A19 | P12-A15 HydrophobicContact CG-CB 4.08Å; P12-A15 WeakPolarHBondContact O-CB 3.36Å; P12-A15 PolarHBondContact O-N 3.44Å; A15-K18 PolarHBondContact O-N 3.13Å; A15-A19 WeakPolarHBondContact O-CB 3.31Å; A15-A19 PolarHBondContact O-N 3.39Å |
| 16 | E | 73.9 | Confident | 72.8 | Confident | 80 Ų | 80 | 114.9 Ų | 114.9 | 37% | 0.374 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.5 | -40.4 | 174.6 | -64.6 | -168.1 | 170.6 | 0 | 0 | 112.4 | A11 P12 A19 K20 | A11-E16 HydrophobicContact CB-CG 4.03Å; P12-E16 PolarHBondContact O-N 2.76Å; E16-A19 PolarHBondContact O-N 2.92Å; E16-K20 WeakPolarHBondContact O-CB 3.3Å; E16-K20 VanDerWaalsContact O-CG 3.3Å; E16-K20 WeakPolarHBondContact O-CG 3.28Å; E16-K20 PolarHBondContact O-N 2.93Å |
| 17 | A | 80.6 | Confident | 74.1 | Confident | 57 Ų | 57 | 108.3 Ų | 108.3 | 47% | 0.471 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.8 | -43.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P13 K20 A21 | P13-A17 WeakPolarHBondContact O-CB 3.41Å; P13-A17 PolarHBondContact O-N 2.9Å; A17-K20 PolarHBondContact O-N 2.96Å; A17-A21 WeakPolarHBondContact O-CB 3.48Å; A17-A21 PolarHBondContact O-N 3.34Å |
| 18 | K | 84.6 | Confident | 75.8 | Confident | 148 Ų | 148 | 104 Ų | 104 | 64% | 0.643 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.9 | -43.8 | 174.2 | -76.9 | 178.6 | 179.4 | -174.7 | 0 | 111.9 | K14 A15 A21 L22 | K14-K18 VanDerWaalsContact O-CG 3.31Å; K14-K18 WeakPolarHBondContact O-CG 3.39Å; K14-K18 PolarHBondContact O-N 3.39Å; K14-K18 VanDerWaalsContact O-N 3.13Å; A15-K18 PolarHBondContact O-N 3.13Å; K18-A21 PolarHBondContact O-N 2.92Å; K18-L22 WeakPolarHBondContact O-CB 3.35Å; K18-L22 VanDerWaalsContact O-CG 3.28Å; K18-L22 WeakPolarHBondContact O-CG 3.41Å; K18-L22 PolarHBondContact O-N 3.37Å |
| 19 | A | 83.5 | Confident | 77.2 | Confident | 58 Ų | 58 | 101.9 Ų | 101.9 | 48% | 0.479 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.8 | -42.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A15 E16 L22 K23 | A15-A19 WeakPolarHBondContact O-CB 3.31Å; A15-A19 PolarHBondContact O-N 3.39Å; E16-A19 PolarHBondContact O-N 2.92Å; A19-L22 PolarHBondContact O-N 3.35Å; A19-K23 WeakPolarHBondContact O-CB 3.47Å; A19-K23 PolarHBondContact O-N 2.92Å |
| 20 | K | 84.9 | Confident | 77.8 | Confident | 142 Ų | 142 | 105.2 Ų | 105.2 | 62% | 0.617 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.2 | -44.8 | 174.7 | -74.6 | 170.1 | -178.9 | 168.3 | 0 | 111.7 | E16 A17 K23 A24 | E16-K20 WeakPolarHBondContact O-CB 3.3Å; E16-K20 VanDerWaalsContact O-CG 3.3Å; E16-K20 WeakPolarHBondContact O-CG 3.28Å; E16-K20 PolarHBondContact O-N 2.93Å; A17-K20 PolarHBondContact O-N 2.96Å; K20-K23 PolarHBondContact O-N 3.47Å; K20-A24 WeakPolarHBondContact O-CB 3.42Å; K20-A24 PolarHBondContact O-N 2.88Å |
| 21 | A | 86.1 | Confident | 78.7 | Confident | 60 Ų | 60 | 101.4 Ų | 101.4 | 50% | 0.496 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.8 | -43.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A17 K18 K23 A24 K25 | A17-A21 WeakPolarHBondContact O-CB 3.48Å; A17-A21 PolarHBondContact O-N 3.34Å; K18-A21 PolarHBondContact O-N 2.92Å; A21-K23 VanDerWaalsContact C-N 3.33Å; A21-K23 PolarHBondContact O-N 3.31Å; A21-A24 PolarHBondContact O-N 3.37Å; A21-K25 WeakPolarHBondContact O-CB 3.45Å; A21-K25 PolarHBondContact O-N 3.46Å |
| 22 | L | 88.3 | Confident | 79.2 | Confident | 102 Ų | 102 | 105.9 Ų | 105.9 | 53% | 0.534 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.6 | -36.4 | 176.3 | -70.7 | 174 | 0 | 0 | 0 | 112.2 | K18 A19 K26 | K18-L22 WeakPolarHBondContact O-CB 3.35Å; K18-L22 VanDerWaalsContact O-CG 3.28Å; K18-L22 WeakPolarHBondContact O-CG 3.41Å; K18-L22 PolarHBondContact O-N 3.37Å; A19-L22 PolarHBondContact O-N 3.35Å; L22-K26 WeakPolarHBondContact O-CB 3.44Å; L22-K26 WeakPolarHBondContact O-CG 3.4Å; L22-K26 PolarHBondContact O-N 2.99Å |
| 23 | K | 83.9 | Confident | 79.3 | Confident | 167 Ų | 167 | 107.2 Ų | 107.2 | 73% | 0.726 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.7 | -43.5 | 174.8 | -169.1 | 177.3 | 180 | 179.8 | 0 | 111.4 | A19 K20 A21 K26 A27 | A19-K23 WeakPolarHBondContact O-CB 3.47Å; A19-K23 PolarHBondContact O-N 2.92Å; K20-K23 PolarHBondContact O-N 3.47Å; A21-K23 VanDerWaalsContact C-N 3.33Å; A21-K23 PolarHBondContact O-N 3.31Å; K23-K26 PolarHBondContact O-N 3.48Å; K23-A27 WeakPolarHBondContact O-CB 3.33Å; K23-A27 PolarHBondContact O-N 2.96Å |
| 24 | A | 84 | Confident | 79.3 | Confident | 54 Ų | 54 | 105 Ų | 105 | 45% | 0.446 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62 | -46.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K20 A21 K26 A27 V28 | K20-A24 WeakPolarHBondContact O-CB 3.42Å; K20-A24 PolarHBondContact O-N 2.88Å; A21-A24 PolarHBondContact O-N 3.37Å; A24-K26 VanDerWaalsContact C-N 3.34Å; A24-K26 PolarHBondContact O-N 2.96Å; A24-A27 PolarHBondContact O-N 3.12Å; A24-A27 VanDerWaalsContact O-N 3.12Å; A24-V28 VanDerWaalsContact O-CG2 3.32Å; A24-V28 WeakPolarHBondContact O-CG2 3.48Å; A24-V28 PolarHBondContact O-N 3.09Å |
| 25 | K | 86 | Confident | 79.3 | Confident | 138 Ų | 138 | 105.2 Ų | 105.2 | 60% | 0.6 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -57.5 | -43.9 | 175.5 | -175.1 | 177.6 | 179.2 | 177.7 | 0 | 112.3 | A21 V28 L29 | A21-K25 WeakPolarHBondContact O-CB 3.45Å; A21-K25 PolarHBondContact O-N 3.46Å; K25-V28 PolarHBondContact O-N 3.02Å; K25-L29 HydrophobicContact CG-CD1 4.26Å; K25-L29 WeakPolarHBondContact O-CB 3.45Å; K25-L29 PolarHBondContact O-N 3.37Å |
| 26 | K | 82.6 | Confident | 79.3 | Confident | 149 Ų | 149 | 109.6 Ų | 109.6 | 65% | 0.648 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.2 | -36.7 | 176.2 | -75.1 | 177.6 | -179.2 | -178.8 | 0 | 112.6 | L22 K23 A24 K30 | L22-K26 WeakPolarHBondContact O-CB 3.44Å; L22-K26 WeakPolarHBondContact O-CG 3.4Å; L22-K26 PolarHBondContact O-N 2.99Å; K23-K26 PolarHBondContact O-N 3.48Å; A24-K26 VanDerWaalsContact C-N 3.34Å; A24-K26 PolarHBondContact O-N 2.96Å; K26-K30 WeakPolarHBondContact O-CB 3.32Å; K26-K30 PolarHBondContact O-N 2.89Å; K26-K30 VanDerWaalsContact O-N 3.09Å |
| 27 | A | 79.4 | Confident | 79.5 | Confident | 63 Ų | 63 | 115.7 Ų | 115.7 | 52% | 0.521 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.9 | -41.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K23 A24 K30 G31 | K23-A27 WeakPolarHBondContact O-CB 3.33Å; K23-A27 PolarHBondContact O-N 2.96Å; A24-A27 PolarHBondContact O-N 3.12Å; A24-A27 VanDerWaalsContact O-N 3.12Å; A27-K30 PolarHBondContact O-N 3.42Å; A27-G31 PolarHBondContact O-N 3.09Å; A27-G31 VanDerWaalsContact O-N 3.09Å |
| 28 | V | 81.6 | Confident | 79.5 | Confident | 119 Ų | 119 | 122.2 Ų | 122.2 | 72% | 0.721 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -63.5 | -46.2 | 175.2 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | A24 K25 K30 G31 | A24-V28 VanDerWaalsContact O-CG2 3.32Å; A24-V28 WeakPolarHBondContact O-CG2 3.48Å; A24-V28 PolarHBondContact O-N 3.09Å; K25-V28 PolarHBondContact O-N 3.02Å; V28-K30 VanDerWaalsContact C-N 3.35Å; V28-K30 PolarHBondContact O-N 3.15Å; V28-G31 PolarHBondContact O-N 3.42Å; V28-G31 VanDerWaalsContact O-N 3.15Å |
| 29 | L | 80 | Confident | 79.4 | Confident | 139 Ų | 139 | 124 Ų | 124 | 73% | 0.728 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -61.4 | -38.8 | 176.7 | -84.3 | 165.3 | 0 | 0 | 0 | 113.3 | K25 G31 | K25-L29 HydrophobicContact CG-CD1 4.26Å; K25-L29 WeakPolarHBondContact O-CB 3.45Å; K25-L29 PolarHBondContact O-N 3.37Å; L29-G31 VanDerWaalsContact C-N 3.29Å |
| 30 | K | 74.9 | Confident | 79.6 | Confident | 158 Ų | 158 | 128.4 Ų | 128.4 | 69% | 0.687 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.9 | -27.7 | 176.6 | -89.2 | -173.6 | 177.4 | -175.9 | 0 | 112.4 | K26 A27 V28 S34 | K26-K30 WeakPolarHBondContact O-CB 3.32Å; K26-K30 PolarHBondContact O-N 2.89Å; K26-K30 VanDerWaalsContact O-N 3.09Å; A27-K30 PolarHBondContact O-N 3.42Å; V28-K30 VanDerWaalsContact C-N 3.35Å; V28-K30 PolarHBondContact O-N 3.15Å; K30-S34 WeakPolarHBondContact O-CB 3.34Å |
| 31 | G | 77 | Confident | 79.8 | Confident | 34 Ų | 34 | 129 Ų | 129 | 35% | 0.351 | 65% | 0.648 | S | S | . | * | trans | 65.8 | 172.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A27 V28 L29 H33 S34 | A27-G31 PolarHBondContact O-N 3.09Å; A27-G31 VanDerWaalsContact O-N 3.09Å; V28-G31 PolarHBondContact O-N 3.42Å; V28-G31 VanDerWaalsContact O-N 3.15Å; L29-G31 VanDerWaalsContact C-N 3.29Å; G31-H33 PolarHBondContact O-N 3.41Å; G31-H33 VanDerWaalsContact O-N 3.09Å; G31-S34 PolarHBondContact O-N 3.31Å; G31-S34 PolarHBondContact O-OG 3.09Å | ||
| 32 | V | 71.8 | Confident | 80.1 | Confident | 142 Ų | 142 | 133 Ų | 133 | 86% | 0.861 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -13.2 | -175.6 | -173.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 33 | H | 70.1 | Confident | 80.2 | Confident | 115 Ų | 115 | 130.5 Ų | 130.5 | 53% | 0.532 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.7 | 15.4 | -176.5 | -67.7 | -16.2 | 0 | 0 | 0 | 114.2 | G31 H35 K36 | G31-H33 PolarHBondContact O-N 3.41Å; G31-H33 VanDerWaalsContact O-N 3.09Å; H33-H35 PolarHBondContact O-N 3.03Å; H33-K36 HydrophobicContact CB-CB 4.49Å; H33-K36 HydrophobicContact CB-CD 3.96Å; H33-K36 HydrophobicContact CB-CG 4.25Å; H33-K36 PolarHBondContact CE1-NZ 3.14Å; H33-K36 WeakPolarHBondContact ND1-CE 3.48Å; H33-K36 PolarHBondContact ND1-NZ 3.04Å; H33-K36 PolarHBondContact NE2-NZ 3.14Å; H33-K36 VanDerWaalsContact NE2-NZ 3.14Å; H33-K36 WeakPolarHBondContact O-CB 3.43Å; H33-K36 PolarHBondContact O-N 2.91Å |
| 34 | S | 67.8 | Low | 80.6 | Confident | 61 Ų | 61 | 129.1 Ų | 129.1 | 43% | 0.427 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -54.2 | -25.9 | -179.8 | 57.7 | 0 | 0 | 0 | 0 | 115.2 | K30 G31 | K30-S34 WeakPolarHBondContact O-CB 3.34Å; G31-S34 PolarHBondContact O-N 3.31Å; G31-S34 PolarHBondContact O-OG 3.09Å |
| 35 | H | 70.9 | Confident | 81.1 | Confident | 176 Ų | 176 | 130.7 Ų | 130.7 | 82% | 0.815 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -5 | 177.9 | -66.2 | -73.5 | 0 | 0 | 0 | 114.3 | H33 K37 | H33-H35 PolarHBondContact O-N 3.03Å; H35-K37 PolarHBondContact O-N 3.45Å |
| 36 | K | 72.9 | Confident | 81.5 | Confident | 140 Ų | 140 | 131.5 Ų | 131.5 | 61% | 0.609 | 67% | 0.674 | S | S | * | * | trans | -76.3 | 94.4 | 178.6 | -72.2 | -172.7 | 179.6 | 172.5 | 0 | 110.3 | H33 K38 | H33-K36 HydrophobicContact CB-CB 4.49Å; H33-K36 HydrophobicContact CB-CD 3.96Å; H33-K36 HydrophobicContact CB-CG 4.25Å; H33-K36 PolarHBondContact CE1-NZ 3.14Å; H33-K36 WeakPolarHBondContact ND1-CE 3.48Å; H33-K36 PolarHBondContact ND1-NZ 3.04Å; H33-K36 PolarHBondContact NE2-NZ 3.14Å; H33-K36 VanDerWaalsContact NE2-NZ 3.14Å; H33-K36 WeakPolarHBondContact O-CB 3.43Å; H33-K36 PolarHBondContact O-N 2.91Å; K36-K38 PolarHBondContact O-N 3.31Å | ||
| 37 | K | 78.6 | Confident | 81.9 | Confident | 207 Ų | 207 | 133.6 Ų | 133.6 | 90% | 0.9 | 68% | 0.677 | S | S | * | * | trans | -70.2 | 114.9 | 170.1 | -74.9 | -176.9 | 177.8 | 179 | 0 | 110.3 | H35 | H35-K37 PolarHBondContact O-N 3.45Š| ||
| 38 | K | 81 | Confident | 82.6 | Confident | 195 Ų | 195 | 139.8 Ų | 139.8 | 85% | 0.848 | 69% | 0.687 | S | S | * | * | trans | -80.1 | 135 | 170.7 | -68.7 | -176.7 | -179.2 | 178.5 | 0 | 109.9 | K36 I40 | K36-K38 PolarHBondContact O-N 3.31Å; K38-I40 PolarHBondContact O-N 3.29Å | ||
| 39 | K | 83 | Confident | 83.2 | Confident | 185 Ų | 185 | 138.1 Ų | 138.1 | 80% | 0.804 | 68% | 0.679 | S | S | * | * | trans | -80.9 | 104 | 172.8 | -169.5 | 170.5 | -175.2 | 171.7 | 0 | 109.1 | ||||
| 40 | I | 87.8 | Confident | 83.9 | Confident | 151 Ų | 151 | 141.9 Ų | 141.9 | 77% | 0.774 | 69% | 0.689 | S | S | * | * | trans | -68.1 | 130.2 | 177.5 | -56.4 | 172.8 | 0 | 0 | 0 | 108.5 | K38 T42 | K38-I40 PolarHBondContact O-N 3.29Å; I40-T42 HydrophobicContact CG2-CG2 4.46Å | ||
| 41 | R | 88.9 | Confident | 84.9 | Confident | 155 Ų | 155 | 138.1 Ų | 138.1 | 59% | 0.585 | 68% | 0.68 | S | S | * | * | trans | -111.6 | 118.3 | 172.5 | -61.5 | -155 | -177.4 | -167.4 | 5.7 | 108.2 | F46 | R41-F46 VanDerWaalsContact NH1-CE2 3.32Š| ||
| 42 | T | 92.1 | Very high | 85.8 | Confident | 143 Ų | 143 | 143.3 Ų | 143.3 | 88% | 0.877 | 70% | 0.699 | S | S | * | * | trans | -89.8 | -14.3 | -177.4 | 50.6 | 0 | 0 | 0 | 0 | 113.2 | I40 | I40-T42 HydrophobicContact CG2-CG2 4.46Š| ||
| 43 | S | 90.7 | Very high | 87 | Confident | 50 Ų | 50 | 146.5 Ų | 146.5 | 35% | 0.35 | 70% | 0.695 | S | S | . | * | trans | -93.7 | 135.9 | 177.4 | 166.2 | 0 | 0 | 0 | 0 | 110.9 | T45 | S43-T45 PolarHBondContact O-N 3.12Å; S43-T45 PolarHBondContact OG-N 3.39Å; S43-T45 VanDerWaalsContact OG-N 3.11Å; S43-T45 PolarHBondContact OG-O 3.43Å; S43-T45 PolarHBondContact OG-OG1 3.25Å | ||
| 44 | P | 92.2 | Very high | 88.2 | Confident | 137 Ų | 137 | 148.3 Ų | 148.3 | 89% | 0.89 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -71.5 | -18.6 | 172.9 | 30.4 | -34.3 | 0 | 0 | 0 | 112.2 | ||
| 45 | T | 94.8 | Very high | 89.6 | Confident | 87 Ų | 87 | 156.2 Ų | 156.2 | 53% | 0.534 | 73% | 0.728 | S | S | . | * | S | Bend | trans | -86.6 | 130.5 | 178.9 | 62.7 | 0 | 0 | 0 | 0 | 111.8 | S43 R47 | S43-T45 PolarHBondContact O-N 3.12Å; S43-T45 PolarHBondContact OG-N 3.39Å; S43-T45 VanDerWaalsContact OG-N 3.11Å; S43-T45 PolarHBondContact OG-O 3.43Å; S43-T45 PolarHBondContact OG-OG1 3.25Å; T45-R47 PolarHBondContact O-N 3.26Å |
| 46 | F | 92.6 | Very high | 90.7 | Very high | 156 Ų | 156 | 159 Ų | 159 | 68% | 0.684 | 73% | 0.732 | S | S | * | * | trans | -83 | 109.2 | 173.5 | -176.1 | -95.5 | 0 | 0 | 0 | 110.7 | R41 | R41-F46 VanDerWaalsContact NH1-CE2 3.32Š| ||
| 47 | R | 92.8 | Very high | 91.8 | Very high | 192 Ų | 192 | 161 Ų | 161 | 73% | 0.725 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 130.8 | 173.8 | -62.4 | -178.1 | -174.7 | 178.3 | -0 | 110.5 | T45 | T45-R47 PolarHBondContact O-N 3.26Š|
| 48 | R | 93.3 | Very high | 92.6 | Very high | 194 Ų | 194 | 156.2 Ų | 156.2 | 73% | 0.732 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 127.5 | 170.9 | -175.2 | 177.9 | 178.3 | 170.4 | 3.3 | 109 | ||
| 49 | P | 93.1 | Very high | 93.3 | Very high | 84 Ų | 84 | 156.8 Ų | 156.8 | 55% | 0.545 | 74% | 0.736 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 144.3 | 176.7 | 27.2 | -33.8 | 0 | 0 | 0 | 109.8 | T51 | P49-T51 PolarHBondContact O-N 3.43Å; P49-T51 VanDerWaalsContact O-N 3.12Å |
| 50 | K | 95.5 | Very high | 93.9 | Very high | 217 Ų | 217 | 156.3 Ų | 156.3 | 94% | 0.943 | 73% | 0.73 | S | S | * | * | trans | -67.9 | 112 | 169.2 | -67.6 | -177.3 | -179.4 | -179.8 | 0 | 107.6 | ||||
| 51 | T | 96.1 | Very high | 94.2 | Very high | 80 Ų | 80 | 153.9 Ų | 153.9 | 49% | 0.491 | 72% | 0.724 | S | S | . | * | trans | -93.6 | 156.3 | 174.4 | 58 | 0 | 0 | 0 | 0 | 109.6 | P49 R53 | P49-T51 PolarHBondContact O-N 3.43Å; P49-T51 VanDerWaalsContact O-N 3.12Å; T51-R53 PolarHBondContact O-N 3.11Å | ||
| 52 | L | 96.1 | Very high | 94.4 | Very high | 142 Ų | 142 | 157.8 Ų | 157.8 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | trans | -58.4 | 133.1 | 169.7 | -176.7 | 151.4 | 0 | 0 | 0 | 109.4 | L54 | L52-L54 HydrophobicContact CD2-CB 4.4Å; L52-L54 HydrophobicContact CD2-CD1 4.43Å; L52-L54 HydrophobicContact CD2-CD2 3.36Å; L52-L54 HydrophobicContact CD2-CG 3.41Å; L52-L54 VanDerWaalsContact CD2-CG 3.41Å | ||
| 53 | R | 95.8 | Very high | 94.6 | Very high | 209 Ų | 209 | 156.5 Ų | 156.5 | 79% | 0.789 | 72% | 0.721 | S | S | * | * | trans | -121.5 | 104.4 | 173.5 | -69.6 | -176.1 | 178 | -177.3 | -1.3 | 108 | T51 | T51-R53 PolarHBondContact O-N 3.11Š| ||
| 54 | L | 96.3 | Very high | 94.7 | Very high | 153 Ų | 153 | 160.3 Ų | 160.3 | 80% | 0.801 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 145.2 | 177 | -64.1 | 173.2 | 0 | 0 | 0 | 110.2 | L52 | L52-L54 HydrophobicContact CD2-CB 4.4Å; L52-L54 HydrophobicContact CD2-CD1 4.43Å; L52-L54 HydrophobicContact CD2-CD2 3.36Å; L52-L54 HydrophobicContact CD2-CG 3.41Å; L52-L54 VanDerWaalsContact CD2-CG 3.41Å |
| 55 | R | 96.3 | Very high | 94.8 | Very high | 227 Ų | 227 | 156.7 Ų | 156.7 | 86% | 0.857 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 148.7 | 170.4 | -65.2 | -179.1 | 73.6 | 179.6 | 2.3 | 108.9 | Q57 | R55-Q57 PolarHBondContact O-N 2.81Š|
| 56 | R | 95.7 | Very high | 94.7 | Very high | 235 Ų | 235 | 158.4 Ų | 158.4 | 89% | 0.887 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 122.8 | 175.5 | -72.7 | -177.7 | 167.4 | 173.6 | -3.2 | 109.8 | ||
| 57 | Q | 94.8 | Very high | 94.8 | Very high | 183 Ų | 183 | 160.6 Ų | 160.6 | 86% | 0.855 | 75% | 0.746 | S | S | * | * | trans | -125.2 | 85.2 | 172.4 | -71.3 | -179 | -16.8 | 0 | 0 | 108.2 | R55 | R55-Q57 PolarHBondContact O-N 2.81Š| ||
| 58 | P | 95.5 | Very high | 94.8 | Very high | 105 Ų | 105 | 162.5 Ų | 162.5 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | trans | -69.9 | 140.4 | 179.8 | 29.8 | -33.8 | 0 | 0 | 0 | 110.7 | Y60 | P58-Y60 VanDerWaalsContact C-N 3.29Å; P58-Y60 PolarHBondContact O-N 3.4Å | ||
| 59 | K | 96.5 | Very high | 94.6 | Very high | 207 Ų | 207 | 160.3 Ų | 160.3 | 90% | 0.9 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -70.2 | -24.9 | 179.3 | -172.4 | 173.4 | -179.7 | 180 | 0 | 113.2 | ||
| 60 | Y | 94.6 | Very high | 94.5 | Very high | 175 Ų | 175 | 165.9 Ų | 165.9 | 69% | 0.686 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -138.6 | 147.1 | -179.1 | 46.9 | -94.8 | 0 | 0 | 0 | 110.8 | P58 | P58-Y60 VanDerWaalsContact C-N 3.29Å; P58-Y60 PolarHBondContact O-N 3.4Å |
| 61 | P | 94.3 | Very high | 94.4 | Very high | 101 Ų | 101 | 158.1 Ų | 158.1 | 66% | 0.656 | 74% | 0.74 | S | S | * | * | trans | -70.9 | 146.2 | 175.1 | 31 | -34.7 | 0 | 0 | 0 | 110.5 | K63 | P61-K63 VanDerWaalsContact C-N 3.26Å; P61-K63 PolarHBondContact O-N 3.42Å | ||
| 62 | R | 94.1 | Very high | 94.2 | Very high | 237 Ų | 237 | 157.9 Ų | 157.9 | 89% | 0.894 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -70.9 | -20.9 | 176.3 | -74.9 | -176.4 | 175.3 | 161.6 | -5.3 | 113.8 | ||
| 63 | K | 95.1 | Very high | 94.2 | Very high | 115 Ų | 115 | 153.5 Ų | 153.5 | 50% | 0.5 | 71% | 0.711 | S | S | . | * | trans | -132.6 | 135.6 | 178.2 | -63 | -167.5 | 177.9 | -157.7 | 0 | 107.9 | P61 R67 | P61-K63 VanDerWaalsContact C-N 3.26Å; P61-K63 PolarHBondContact O-N 3.42Å; K63-R67 VanDerWaalsContact NZ-CZ 3.31Å | ||
| 64 | S | 93.8 | Very high | 94.1 | Very high | 130 Ų | 130 | 151.7 Ų | 151.7 | 91% | 0.909 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -66.9 | -39.9 | 177.7 | 50 | 0 | 0 | 0 | 0 | 111.9 | ||
| 65 | A | 93.5 | Very high | 94.1 | Very high | 62 Ų | 62 | 146.2 Ų | 146.2 | 51% | 0.512 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -112.1 | 142.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 66 | P | 93.6 | Very high | 94.2 | Very high | 122 Ų | 122 | 135.7 Ų | 135.7 | 79% | 0.792 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -66 | 148.3 | 170.2 | 28.8 | -33.6 | 0 | 0 | 0 | 110.8 | ||
| 67 | R | 94.2 | Very high | 94.2 | Very high | 203 Ų | 203 | 124.9 Ų | 124.9 | 77% | 0.766 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 135.5 | 174.8 | -77.9 | 179.7 | 164.2 | 162.9 | -5.7 | 109.8 | K63 | K63-R67 VanDerWaalsContact NZ-CZ 3.31Š|
| 68 | R | 92.4 | Very high | 94.3 | Very high | 231 Ų | 231 | 120.9 Ų | 120.9 | 87% | 0.872 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 147.9 | 168.4 | -62.7 | -177 | -176.8 | 168.9 | 0.5 | 110.4 | K70 | R68-K70 PolarHBondContact O-N 2.66Š|
| 69 | N | 89.9 | Confident | 94.3 | Very high | 149 Ų | 149 | 120.1 Ų | 120.1 | 80% | 0.797 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 117.4 | 171.4 | -68.8 | -23.1 | 0 | 0 | 0 | 108.5 | L71 | N69-L71 VanDerWaalsContact C-N 3.34Š|
| 70 | K | 89.9 | Confident | 94.3 | Very high | 200 Ų | 200 | 111.7 Ų | 111.7 | 87% | 0.87 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -80.9 | -17.8 | 179.8 | -64.5 | -172.5 | 176.5 | -168.3 | 0 | 113.6 | R68 | R68-K70 PolarHBondContact O-N 2.66Š|
| 71 | L | 93.4 | Very high | 94.4 | Very high | 54 Ų | 54 | 104.2 Ų | 104.2 | 28% | 0.283 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -112.6 | 74.6 | -174.5 | -161.7 | 148 | 0 | 0 | 0 | 106.7 | N69 I76 K103 | N69-L71 VanDerWaalsContact C-N 3.34Å; L71-I76 HydrophobicContact CD2-CD1 3.68Å; L71-I76 HydrophobicContact CD2-CG1 3.26Å; L71-I76 HydrophobicContact CG-CG1 4.1Å; L71-K103 HydrophobicContact CD1-CB 3.99Å |
| 72 | D | 93.6 | Very high | 94.5 | Very high | 75 Ų | 75 | 103.7 Ų | 103.7 | 40% | 0.401 | 50% | 0.502 | S | S | . | . | trans | -87.5 | -179.2 | 177 | 68.5 | -11.7 | 0 | 0 | 0 | 110.8 | Y74 A75 I76 | D72-Y74 VanDerWaalsContact C-N 3.28Å; D72-Y74 PolarHBondContact O-N 2.94Å; D72-A75 PolarHBondContact O-N 3.1Å; D72-A75 WeakPolarHBondContact OD1-CB 3.14Å; D72-A75 PolarHBondContact OD1-N 2.73Å; D72-I76 WeakPolarHBondContact O-CD1 3.23Å; D72-I76 WeakPolarHBondContact O-CG1 3.47Å; D72-I76 PolarHBondContact O-N 3.48Å | ||
| 73 | H | 94.8 | Very high | 94.5 | Very high | 50 Ų | 50 | 95.2 Ų | 95.2 | 23% | 0.231 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -62.6 | -36.8 | -173.9 | -58.3 | -52.3 | 0 | 0 | 0 | 112.6 | I76 I77 A112 K115 L116 | H73-I76 PolarHBondContact O-N 3.12Å; H73-I77 PolarHBondContact O-N 3.13Å; H73-A112 HydrophobicContact CB-CB 4.12Å; H73-K115 WeakPolarHBondContact NE2-CD 3.29Å; H73-K115 PolarHBondContact NE2-NZ 2.71Å; H73-L116 HydrophobicContact CB-CD1 4.33Å; H73-L116 HydrophobicContact CB-CD2 4.08Å; H73-L116 HydrophobicContact CB-CG 4.1Å |
| 74 | Y | 95.1 | Very high | 94.6 | Very high | 172 Ų | 172 | 98 Ų | 98 | 68% | 0.675 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -74 | -35.6 | 176.9 | -58.8 | -74.5 | 0 | 0 | 0 | 112.8 | D72 I76 L116 | D72-Y74 VanDerWaalsContact C-N 3.28Å; D72-Y74 PolarHBondContact O-N 2.94Å; Y74-I76 VanDerWaalsContact C-N 3.32Å; Y74-L116 HydrophobicContact CD1-CD1 4.35Å; Y74-L116 HydrophobicContact CD1-CD2 3.86Å; Y74-L116 HydrophobicContact CE1-CD2 3.37Å; Y74-L116 HydrophobicContact CE2-CD2 4.23Å; Y74-L116 HydrophobicContact CG-CD2 4.47Å |
| 75 | A | 95.8 | Very high | 94.7 | Very high | 38 Ų | 38 | 95.6 Ų | 95.6 | 31% | 0.314 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.7 | -29.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D72 | D72-A75 PolarHBondContact O-N 3.1Å; D72-A75 WeakPolarHBondContact OD1-CB 3.14Å; D72-A75 PolarHBondContact OD1-N 2.73Å |
| 76 | I | 97.2 | Very high | 94.8 | Very high | 5 Ų | 5 | 92.8 Ų | 92.8 | 3% | 0.026 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -68 | -53.1 | 177.7 | -71.7 | 159.3 | 0 | 0 | 0 | 111.1 | L71 D72 H73 Y74 V100 D101 A104 Q108 I109 A112 | L71-I76 HydrophobicContact CD2-CD1 3.68Å; L71-I76 HydrophobicContact CD2-CG1 3.26Å; L71-I76 HydrophobicContact CG-CG1 4.1Å; D72-I76 WeakPolarHBondContact O-CD1 3.23Å; D72-I76 WeakPolarHBondContact O-CG1 3.47Å; D72-I76 PolarHBondContact O-N 3.48Å; H73-I76 PolarHBondContact O-N 3.12Å; Y74-I76 VanDerWaalsContact C-N 3.32Å; I76-V100 CarbonylContact O-C 3.57Å; I76-V100 WeakPolarHBondContact O-CA 3.27Å; I76-V100 WeakPolarHBondContact O-CB 3.45Å; I76-D101 PolarHBondContact O-N 2.98Å; I76-A104 HydrophobicContact CG1-CB 4.5Å; I76-A104 HydrophobicContact CG2-CB 3.95Å; I76-Q108 HydrophobicContact CD1-CB 3.94Å; I76-I109 HydrophobicContact CG2-CG1 3.96Å; I76-A112 HydrophobicContact CB-CB 4.15Å; I76-A112 HydrophobicContact CD1-CB 4.14Å; I76-A112 HydrophobicContact CG2-CB 3.95Å |
| 77 | I | 96.9 | Very high | 95 | Very high | 8 Ų | 8 | 89.2 Ų | 89.2 | 4% | 0.041 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 107.5 | -176.7 | -57.1 | -176.9 | 0 | 0 | 0 | 107.8 | H73 F98 A112 V113 L116 | H73-I77 PolarHBondContact O-N 3.13Å; I77-F98 HydrophobicContact CG2-CB 4.34Å; I77-F98 HydrophobicContact CG2-CD1 3.58Å; I77-F98 HydrophobicContact CG2-CE1 4.13Å; I77-F98 HydrophobicContact CG2-CG 4.1Å; I77-A112 HydrophobicContact CD1-CB 3.76Å; I77-A112 HydrophobicContact CG1-CB 3.95Å; I77-V113 HydrophobicContact CD1-CB 4.2Å; I77-V113 HydrophobicContact CD1-CG2 3.4Å; I77-L116 HydrophobicContact CB-CD1 4.39Å; I77-L116 HydrophobicContact CD1-CD1 4.26Å |
| 78 | K | 96.1 | Very high | 95.1 | Very high | 99 Ų | 99 | 85.7 Ų | 85.7 | 43% | 0.43 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | -57.8 | -177.5 | -59.5 | -171.5 | -174 | 178.6 | 0 | 111.2 | I99 E133 | K78-I99 HydrophobicContact CD-CG2 4.29Å; K78-I99 PolarHBondContact N-O 2.9Å; K78-E133 IonicContact NZ-OE1 2.66Å; K78-E133 PolarHBondContact NZ-OE1 3.41Å; K78-E133 VanDerWaalsContact NZ-OE1 3.13Å |
| 79 | F | 95.6 | Very high | 95.3 | Very high | 90 Ų | 90 | 78.7 Ų | 78.7 | 40% | 0.395 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 153.6 | -179.8 | 56.3 | -89.6 | 0 | 0 | 0 | 111.2 | I99 | F79-I99 HydrophobicContact CD1-CB 4.3Å; F79-I99 HydrophobicContact CD1-CG2 4.48Å; F79-I99 HydrophobicContact CD2-CB 4.15Å; F79-I99 HydrophobicContact CD2-CG1 4.11Å; F79-I99 HydrophobicContact CE1-CB 3.95Å; F79-I99 HydrophobicContact CE1-CG1 4.4Å; F79-I99 HydrophobicContact CE1-CG2 3.82Å; F79-I99 HydrophobicContact CE2-CB 3.79Å; F79-I99 HydrophobicContact CE2-CG1 3.45Å; F79-I99 VanDerWaalsContact CE2-CG1 3.45Å; F79-I99 HydrophobicContact CE2-CG2 4.4Å; F79-I99 HydrophobicContact CG-CB 4.38Å; F79-I99 HydrophobicContact CZ-CB 3.68Å; F79-I99 HydrophobicContact CZ-CG1 3.62Å; F79-I99 HydrophobicContact CZ-CG2 3.77Å; F79-I99 PolarHBondContact N-O 2.99Å; F79-I99 PolarHBondContact O-N 3.44Å |
| 80 | P | 96.6 | Very high | 95.6 | Very high | 29 Ų | 29 | 71.9 Ų | 71.9 | 19% | 0.188 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 144.9 | 170 | 30.3 | -35.4 | 0 | 0 | 0 | 111.3 | V97 F98 I153 I155 | P80-V97 WeakPolarHBondContact CA-O 3.31Å; P80-F98 HydrophobicContact CB-CD1 4.09Å; P80-F98 HydrophobicContact CB-CE1 4.08Å; P80-I153 HydrophobicContact CG-CG2 4.44Å; P80-I155 HydrophobicContact CB-CD1 3.26Å; P80-I155 HydrophobicContact CB-CG1 3.88Å; P80-I155 HydrophobicContact CG-CD1 3.44Å; P80-I155 VanDerWaalsContact CG-CD1 3.44Å; P80-I155 HydrophobicContact CG-CG1 3.52Å |
| 81 | L | 96.3 | Very high | 95.9 | Very high | 19 Ų | 19 | 68.2 Ų | 68.2 | 10% | 0.099 | 34% | 0.34 | C | S | . | . | trans | -90.2 | 120.6 | 176.8 | -169.6 | 70.8 | 0 | 0 | 0 | 109.8 | T83 A86 V97 I99 K135 | L81-T83 HydrophobicContact CD1-CG2 4.1Å; L81-T83 HydrophobicContact CD2-CG2 4.36Å; L81-T83 HydrophobicContact CG-CG2 4.02Å; L81-A86 WeakPolarHBondContact O-CB 3.08Å; L81-V97 HydrophobicContact CB-CB 4.17Å; L81-V97 HydrophobicContact CB-CG1 3.9Å; L81-V97 HydrophobicContact CD2-CG1 3.9Å; L81-V97 PolarHBondContact N-O 3.36Å; L81-I99 HydrophobicContact CD1-CD1 4.16Å; L81-I99 HydrophobicContact CD1-CG1 4.1Å; L81-K135 HydrophobicContact CD2-CD 3.91Å; L81-K135 HydrophobicContact CD2-CG 4.39Å | ||
| 82 | T | 95.9 | Very high | 96 | Very high | 89 Ų | 89 | 70.3 Ų | 70.3 | 55% | 0.546 | 35% | 0.352 | S | S | . | . | trans | -106 | 21.7 | -170.2 | 64 | 0 | 0 | 0 | 0 | 113.5 | I155 | T82-I155 HydrophobicContact CG2-CG2 3.48Å; T82-I155 VanDerWaalsContact CG2-CG2 3.48Å | ||
| 83 | T | 95.9 | Very high | 96.1 | Very high | 59 Ų | 59 | 69.7 Ų | 69.7 | 36% | 0.362 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -71.2 | 153.4 | 178.6 | 58.2 | 0 | 0 | 0 | 0 | 111.3 | L81 S85 A86 M87 | L81-T83 HydrophobicContact CD1-CG2 4.1Å; L81-T83 HydrophobicContact CD2-CG2 4.36Å; L81-T83 HydrophobicContact CG-CG2 4.02Å; T83-S85 VanDerWaalsContact C-N 3.25Å; T83-S85 PolarHBondContact O-N 3.46Å; T83-S85 VanDerWaalsContact O-N 3.13Å; T83-S85 PolarHBondContact OG1-OG 3.35Å; T83-A86 CarbonylContact O-C 3.57Å; T83-A86 VanDerWaalsContact O-CA 3.32Å; T83-A86 WeakPolarHBondContact O-CA 3.35Å; T83-A86 VanDerWaalsContact O-CB 3.28Å; T83-A86 WeakPolarHBondContact O-CB 3.41Å; T83-A86 PolarHBondContact O-N 3.08Å; T83-A86 WeakPolarHBondContact OG1-CB 3.23Å; T83-A86 PolarHBondContact OG1-N 3.17Å; T83-M87 WeakPolarHBondContact O-CG 3.17Å; T83-M87 PolarHBondContact O-N 3.01Å |
| 84 | E | 95.8 | Very high | 96.2 | Very high | 175 Ų | 175 | 69 Ų | 69 | 82% | 0.818 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -47.6 | -45.7 | 176 | -62 | 172.4 | -173.5 | 0 | 0 | 113.2 | A86 M87 K88 | E84-A86 PolarHBondContact O-N 3.11Å; E84-M87 PolarHBondContact O-N 3.35Å; E84-K88 PolarHBondContact O-N 3.31Å |
| 85 | S | 95.9 | Very high | 96.3 | Very high | 79 Ų | 79 | 61.5 Ų | 61.5 | 55% | 0.552 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62.7 | -28.5 | 177 | 70.1 | 0 | 0 | 0 | 0 | 114 | T83 K89 | T83-S85 VanDerWaalsContact C-N 3.25Å; T83-S85 PolarHBondContact O-N 3.46Å; T83-S85 VanDerWaalsContact O-N 3.13Å; T83-S85 PolarHBondContact OG1-OG 3.35Å; S85-K89 VanDerWaalsContact O-CG 3.27Å; S85-K89 WeakPolarHBondContact O-CG 3.36Å |
| 86 | A | 96.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 2% | 0.017 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -80.9 | -41.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L81 T83 E84 K88 K89 I90 V97 | L81-A86 WeakPolarHBondContact O-CB 3.08Å; T83-A86 CarbonylContact O-C 3.57Å; T83-A86 VanDerWaalsContact O-CA 3.32Å; T83-A86 WeakPolarHBondContact O-CA 3.35Å; T83-A86 VanDerWaalsContact O-CB 3.28Å; T83-A86 WeakPolarHBondContact O-CB 3.41Å; T83-A86 PolarHBondContact O-N 3.08Å; T83-A86 WeakPolarHBondContact OG1-CB 3.23Å; T83-A86 PolarHBondContact OG1-N 3.17Å; E84-A86 PolarHBondContact O-N 3.11Å; A86-K88 VanDerWaalsContact C-N 3.32Å; A86-K88 PolarHBondContact O-N 2.83Å; A86-K89 WeakPolarHBondContact O-CA 3.38Å; A86-K89 WeakPolarHBondContact O-CB 3.46Å; A86-K89 PolarHBondContact O-N 3.46Å; A86-I90 WeakPolarHBondContact O-CG1 3.43Å; A86-I90 PolarHBondContact O-N 3.31Å; A86-I90 VanDerWaalsContact O-N 3.14Å; A86-V97 HydrophobicContact CB-CB 3.97Å; A86-V97 HydrophobicContact CB-CG2 3.84Å |
| 87 | M | 96.4 | Very high | 96.4 | Very high | 47 Ų | 47 | 59.8 Ų | 59.8 | 23% | 0.232 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.5 | -46.3 | 174.9 | -58.3 | -58.2 | -80.7 | 0 | 0 | 111 | T83 E84 K89 I90 E91 I155 I156 | T83-M87 WeakPolarHBondContact O-CG 3.17Å; T83-M87 PolarHBondContact O-N 3.01Å; E84-M87 PolarHBondContact O-N 3.35Å; M87-K89 PolarHBondContact O-N 2.91Å; M87-K89 VanDerWaalsContact O-N 3.15Å; M87-I90 WeakPolarHBondContact O-CB 3.37Å; M87-I90 PolarHBondContact O-N 3.39Å; M87-I90 HydrophobicContact SD-CD1 4.13Å; M87-E91 PolarHBondContact O-N 2.81Å; M87-I155 HydrophobicContact SD-CG2 4.31Å; M87-I156 HydrophobicContact CE-CD1 3.93Å; M87-I156 HydrophobicContact CE-CG1 3.29Å |
| 88 | K | 96.9 | Very high | 96.5 | Very high | 130 Ų | 130 | 59.5 Ų | 59.5 | 57% | 0.565 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -57.3 | -32.1 | 173.7 | -176.1 | 167.5 | -176.8 | 169.3 | 0 | 113.5 | E84 A86 D92 | E84-K88 PolarHBondContact O-N 3.31Å; A86-K88 VanDerWaalsContact C-N 3.32Å; A86-K88 PolarHBondContact O-N 2.83Å; K88-D92 WeakPolarHBondContact CE-OD2 3.45Å; K88-D92 WeakPolarHBondContact CG-OD2 3.44Å; K88-D92 WeakPolarHBondContact O-CB 3.35Å; K88-D92 PolarHBondContact O-N 2.83Å |
| 89 | K | 96.8 | Very high | 96.5 | Very high | 83 Ų | 83 | 54.8 Ų | 54.8 | 36% | 0.361 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -75.9 | -24.1 | 177.9 | -75.2 | -71.4 | 170.9 | -153.2 | 0 | 113.3 | S85 A86 M87 N93 T95 V97 | S85-K89 VanDerWaalsContact O-CG 3.27Å; S85-K89 WeakPolarHBondContact O-CG 3.36Å; A86-K89 WeakPolarHBondContact O-CA 3.38Å; A86-K89 WeakPolarHBondContact O-CB 3.46Å; A86-K89 PolarHBondContact O-N 3.46Å; M87-K89 PolarHBondContact O-N 2.91Å; M87-K89 VanDerWaalsContact O-N 3.15Å; K89-N93 HydrophobicContact CD-CB 4.27Å; K89-N93 PolarHBondContact NZ-OD1 3.1Å; K89-N93 PolarHBondContact O-N 3.25Å; K89-T95 CarbonylContact C-O 3.51Å; K89-T95 WeakPolarHBondContact CB-OG1 3.4Å; K89-T95 PolarHBondContact O-N 3.17Å; K89-T95 VanDerWaalsContact O-N 3.16Å; K89-T95 PolarHBondContact O-OG1 3.21Å; K89-V97 HydrophobicContact CB-CG2 4.4Å |
| 90 | I | 96.3 | Very high | 96.7 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.6 | -49.4 | 173.1 | -61 | 176.2 | 0 | 0 | 0 | 108.3 | A86 M87 N94 T95 L96 A146 L147 A150 | A86-I90 WeakPolarHBondContact O-CG1 3.43Å; A86-I90 PolarHBondContact O-N 3.31Å; A86-I90 VanDerWaalsContact O-N 3.14Å; M87-I90 WeakPolarHBondContact O-CB 3.37Å; M87-I90 PolarHBondContact O-N 3.39Å; M87-I90 HydrophobicContact SD-CD1 4.13Å; I90-N94 PolarHBondContact O-N 2.99Å; I90-T95 WeakPolarHBondContact CA-O 3.33Å; I90-T95 PolarHBondContact N-O 3.09Å; I90-L96 HydrophobicContact CD1-CD2 4.21Å; I90-L96 HydrophobicContact CG1-CD2 4.14Å; I90-L96 HydrophobicContact CG2-CD2 4.49Å; I90-A146 HydrophobicContact CG2-CB 3.8Å; I90-L147 HydrophobicContact CG2-CD2 3.68Å; I90-L147 HydrophobicContact CG2-CG 4.11Å; I90-A150 HydrophobicContact CD1-CB 4.28Å; I90-A150 HydrophobicContact CG2-CB 4.35Å |
| 91 | E | 95.2 | Very high | 96.7 | Very high | 124 Ų | 124 | 51.2 Ų | 51.2 | 58% | 0.579 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -67.8 | -57.9 | -179.2 | -64.9 | 167.6 | -161.1 | 0 | 0 | 113 | M87 N93 L147 | M87-E91 PolarHBondContact O-N 2.81Å; E91-N93 PolarHBondContact O-N 3.38Å; E91-L147 HydrophobicContact CG-CD2 3.97Å |
| 92 | D | 96.2 | Very high | 96.8 | Very high | 97 Ų | 97 | 53.3 Ų | 53.3 | 52% | 0.519 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -75.6 | -31.7 | -167.8 | -70.4 | -20.3 | 0 | 0 | 0 | 113.6 | K88 | K88-D92 WeakPolarHBondContact CE-OD2 3.45Å; K88-D92 WeakPolarHBondContact CG-OD2 3.44Å; K88-D92 WeakPolarHBondContact O-CB 3.35Å; K88-D92 PolarHBondContact O-N 2.83Å |
| 93 | N | 95.8 | Very high | 96.8 | Very high | 63 Ų | 63 | 57 Ų | 57 | 34% | 0.337 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -123 | -2.4 | -161.3 | -78.8 | 110 | 0 | 0 | 0 | 114.1 | K89 E91 T95 | K89-N93 HydrophobicContact CD-CB 4.27Å; K89-N93 PolarHBondContact NZ-OD1 3.1Å; K89-N93 PolarHBondContact O-N 3.25Å; E91-N93 PolarHBondContact O-N 3.38Å; N93-T95 VanDerWaalsContact C-N 3.29Å; N93-T95 HydrophobicContact CB-CG2 4.12Å; N93-T95 WeakPolarHBondContact CB-OG1 3.35Å; N93-T95 PolarHBondContact O-N 2.86Å |
| 94 | N | 97 | Very high | 96.9 | Very high | 34 Ų | 34 | 54.2 Ų | 54.2 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | S | Bend | trans | 50.9 | 50.7 | -170.5 | -169.7 | 9.5 | 0 | 0 | 0 | 111.1 | I90 L140 Y144 A146 | I90-N94 PolarHBondContact O-N 2.99Å; N94-L140 PolarHBondContact O-N 3.41Å; N94-L140 VanDerWaalsContact O-N 3.1Å; N94-Y144 PolarHBondContact ND2-O 3.49Å; N94-Y144 PolarHBondContact OD1-O 2.83Å; N94-A146 WeakPolarHBondContact OD1-CB 3.36Å; N94-A146 PolarHBondContact OD1-N 3.15Å |
| 95 | T | 97.4 | Very high | 96.9 | Very high | 15 Ų | 15 | 50.6 Ų | 50.6 | 9% | 0.092 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 126 | -176.3 | 48.8 | 0 | 0 | 0 | 0 | 112.6 | K89 I90 N93 V138 R139 | K89-T95 CarbonylContact C-O 3.51Å; K89-T95 WeakPolarHBondContact CB-OG1 3.4Å; K89-T95 PolarHBondContact O-N 3.17Å; K89-T95 VanDerWaalsContact O-N 3.16Å; K89-T95 PolarHBondContact O-OG1 3.21Å; I90-T95 WeakPolarHBondContact CA-O 3.33Å; I90-T95 PolarHBondContact N-O 3.09Å; N93-T95 VanDerWaalsContact C-N 3.29Å; N93-T95 HydrophobicContact CB-CG2 4.12Å; N93-T95 WeakPolarHBondContact CB-OG1 3.35Å; N93-T95 PolarHBondContact O-N 2.86Å; T95-V138 CarbonylContact C-O 3.55Å; T95-V138 VanDerWaalsContact CA-O 3.29Å; T95-V138 WeakPolarHBondContact CA-O 3.28Å; T95-R139 HydrophobicContact CG2-CB 3.62Å; T95-R139 HydrophobicContact CG2-CG 3.84Å |
| 96 | L | 97.1 | Very high | 97 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 140.9 | 169.8 | -63.5 | 175.8 | 0 | 0 | 0 | 110.3 | I90 F98 I119 V138 L140 A146 V149 A150 I153 | I90-L96 HydrophobicContact CD1-CD2 4.21Å; I90-L96 HydrophobicContact CG1-CD2 4.14Å; I90-L96 HydrophobicContact CG2-CD2 4.49Å; L96-F98 HydrophobicContact CB-CD2 4.28Å; L96-F98 HydrophobicContact CB-CE2 3.51Å; L96-F98 HydrophobicContact CB-CZ 3.97Å; L96-F98 HydrophobicContact CD1-CE2 4.16Å; L96-F98 HydrophobicContact CD1-CZ 4Å; L96-F98 HydrophobicContact CG-CE2 4.5Å; L96-I119 HydrophobicContact CD1-CD1 4.32Å; L96-V138 PolarHBondContact N-O 2.78Å; L96-V138 PolarHBondContact O-N 2.72Å; L96-L140 HydrophobicContact CD1-CD1 4.21Å; L96-L140 HydrophobicContact CD1-CD2 4.28Å; L96-L140 HydrophobicContact CG-CD1 4.39Å; L96-A146 HydrophobicContact CD2-CB 4.07Å; L96-A146 HydrophobicContact CG-CB 4.26Å; L96-V149 HydrophobicContact CD1-CB 4.43Å; L96-V149 HydrophobicContact CD1-CG1 3.65Å; L96-A150 HydrophobicContact CD2-CB 4.32Å; L96-I153 HydrophobicContact CD1-CD1 4.4Å |
| 97 | V | 97.9 | Very high | 97.1 | Very high | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.03 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 125.7 | 179.3 | -168.5 | 0 | 0 | 0 | 0 | 109.2 | P80 L81 A86 K89 K135 A136 Y137 | P80-V97 WeakPolarHBondContact CA-O 3.31Å; L81-V97 HydrophobicContact CB-CB 4.17Å; L81-V97 HydrophobicContact CB-CG1 3.9Å; L81-V97 HydrophobicContact CD2-CG1 3.9Å; L81-V97 PolarHBondContact N-O 3.36Å; A86-V97 HydrophobicContact CB-CB 3.97Å; A86-V97 HydrophobicContact CB-CG2 3.84Å; K89-V97 HydrophobicContact CB-CG2 4.4Å; V97-K135 HydrophobicContact CG1-CD 3.9Å; V97-K135 HydrophobicContact CG1-CG 3.73Å; V97-A136 WeakPolarHBondContact CA-O 3.36Å; V97-Y137 HydrophobicContact CB-CD1 4.44Å; V97-Y137 HydrophobicContact CG1-CD1 4.05Å; V97-Y137 HydrophobicContact CG1-CE1 3.98Å; V97-Y137 HydrophobicContact CG2-CD1 3.65Å; V97-Y137 HydrophobicContact CG2-CE1 3.92Å |
| 98 | F | 97.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 148.4 | 179.5 | -64 | -82.2 | 0 | 0 | 0 | 111.4 | I77 P80 L96 V100 V113 Y117 K135 A136 V138 I153 | I77-F98 HydrophobicContact CG2-CB 4.34Å; I77-F98 HydrophobicContact CG2-CD1 3.58Å; I77-F98 HydrophobicContact CG2-CE1 4.13Å; I77-F98 HydrophobicContact CG2-CG 4.1Å; P80-F98 HydrophobicContact CB-CD1 4.09Å; P80-F98 HydrophobicContact CB-CE1 4.08Å; L96-F98 HydrophobicContact CB-CD2 4.28Å; L96-F98 HydrophobicContact CB-CE2 3.51Å; L96-F98 HydrophobicContact CB-CZ 3.97Å; L96-F98 HydrophobicContact CD1-CE2 4.16Å; L96-F98 HydrophobicContact CD1-CZ 4Å; L96-F98 HydrophobicContact CG-CE2 4.5Å; F98-V100 HydrophobicContact CB-CG1 3.97Å; F98-V113 HydrophobicContact CD2-CG2 4.48Å; F98-V113 HydrophobicContact CE2-CG2 4.17Å; F98-Y117 AromaticContact CE1-CE2 3.85Å; F98-Y117 HydrophobicContact CE1-CE2 3.85Å; F98-Y117 HydrophobicContact CZ-CD2 4.41Å; F98-Y117 AromaticContact CZ-CE2 3.87Å; F98-Y117 HydrophobicContact CZ-CE2 3.87Å; F98-K135 CarbonylContact O-C 3.41Å; F98-K135 WeakPolarHBondContact O-CA 3.43Å; F98-A136 PolarHBondContact N-O 2.97Å; F98-A136 PolarHBondContact O-N 3.31Å; F98-V138 HydrophobicContact CD2-CB 4.36Å; F98-V138 HydrophobicContact CD2-CG2 3.81Å; F98-V138 HydrophobicContact CE2-CB 4.36Å; F98-V138 HydrophobicContact CE2-CG2 4.23Å; F98-I153 HydrophobicContact CZ-CD1 4.45Å |
| 99 | I | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 128 | 157.8 | -61.9 | -50.6 | 0 | 0 | 0 | 108.4 | K78 F79 L81 E133 K135 | K78-I99 HydrophobicContact CD-CG2 4.29Å; K78-I99 PolarHBondContact N-O 2.9Å; F79-I99 HydrophobicContact CD1-CB 4.3Å; F79-I99 HydrophobicContact CD1-CG2 4.48Å; F79-I99 HydrophobicContact CD2-CB 4.15Å; F79-I99 HydrophobicContact CD2-CG1 4.11Å; F79-I99 HydrophobicContact CE1-CB 3.95Å; F79-I99 HydrophobicContact CE1-CG1 4.4Å; F79-I99 HydrophobicContact CE1-CG2 3.82Å; F79-I99 HydrophobicContact CE2-CB 3.79Å; F79-I99 HydrophobicContact CE2-CG1 3.45Å; F79-I99 VanDerWaalsContact CE2-CG1 3.45Å; F79-I99 HydrophobicContact CE2-CG2 4.4Å; F79-I99 HydrophobicContact CG-CB 4.38Å; F79-I99 HydrophobicContact CZ-CB 3.68Å; F79-I99 HydrophobicContact CZ-CG1 3.62Å; F79-I99 HydrophobicContact CZ-CG2 3.77Å; F79-I99 PolarHBondContact N-O 2.99Å; F79-I99 PolarHBondContact O-N 3.44Å; L81-I99 HydrophobicContact CD1-CD1 4.16Å; L81-I99 HydrophobicContact CD1-CG1 4.1Å; I99-E133 HydrophobicContact CG2-CB 4.12Å; I99-E133 VanDerWaalsContact CG2-OE2 3.28Å; I99-E133 WeakPolarHBondContact CG2-OE2 3.44Å; I99-K135 HydrophobicContact CD1-CB 4.15Å; I99-K135 HydrophobicContact CD1-CG 4.27Å |
| 100 | V | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 164.4 | -173.4 | -59 | 0 | 0 | 0 | 0 | 111.2 | I76 F98 I109 K134 A136 | I76-V100 CarbonylContact O-C 3.57Å; I76-V100 WeakPolarHBondContact O-CA 3.27Å; I76-V100 WeakPolarHBondContact O-CB 3.45Å; F98-V100 HydrophobicContact CB-CG1 3.97Å; V100-I109 HydrophobicContact CB-CD1 4.44Å; V100-I109 HydrophobicContact CG1-CD1 4.41Å; V100-I109 HydrophobicContact CG1-CG1 4.33Å; V100-I109 HydrophobicContact CG1-CG2 4.45Å; V100-I109 HydrophobicContact CG2-CD1 3.89Å; V100-I109 HydrophobicContact CG2-CG1 4.49Å; V100-K134 HydrophobicContact CG2-CB 3.71Å; V100-K134 HydrophobicContact CG2-CD 3.72Å; V100-K134 HydrophobicContact CG2-CG 3.59Å; V100-K134 WeakPolarHBondContact CG2-O 3.36Å; V100-K134 PolarHBondContact N-O 3.49Å; V100-A136 HydrophobicContact CG1-CB 3.91Å; V100-A136 HydrophobicContact CG2-CB 4.06Å |
| 101 | D | 97.7 | Very high | 97.2 | Very high | 44 Ų | 44 | 58.8 Ų | 58.8 | 24% | 0.235 | 29% | 0.286 | C | S | . | . | trans | -62.5 | 142.4 | 174.4 | -172.6 | -93.6 | 0 | 0 | 0 | 112.3 | I76 K103 A104 | I76-D101 PolarHBondContact O-N 2.98Å; D101-K103 PolarHBondContact O-N 3.47Å; D101-K103 WeakPolarHBondContact OD1-CA 3.18Å; D101-K103 VanDerWaalsContact OD1-CB 3.26Å; D101-K103 WeakPolarHBondContact OD1-CB 3.07Å; D101-K103 PolarHBondContact OD1-N 3.06Å; D101-A104 HydrophobicContact CB-CB 4.39Å; D101-A104 VanDerWaalsContact O-CB 3.29Å; D101-A104 WeakPolarHBondContact O-CB 3.13Å; D101-A104 PolarHBondContact O-N 3.13Å | ||
| 102 | V | 97.1 | Very high | 97.3 | Very high | 64 Ų | 64 | 52.9 Ų | 52.9 | 39% | 0.388 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -26.3 | -176.8 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | G132 K134 | V102-G132 WeakPolarHBondContact CG2-O 3.33Å; V102-K134 WeakPolarHBondContact O-CE 3.36Å; V102-K134 PolarHBondContact O-NZ 2.89Å |
| 103 | K | 96.2 | Very high | 97.3 | Very high | 166 Ų | 166 | 48.3 Ų | 48.3 | 72% | 0.722 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -8.1 | 178.4 | -60 | 173.4 | 179.9 | 168.8 | 0 | 112.8 | L71 D101 N105 | L71-K103 HydrophobicContact CD1-CB 3.99Å; D101-K103 PolarHBondContact O-N 3.47Å; D101-K103 WeakPolarHBondContact OD1-CA 3.18Å; D101-K103 VanDerWaalsContact OD1-CB 3.26Å; D101-K103 WeakPolarHBondContact OD1-CB 3.07Å; D101-K103 PolarHBondContact OD1-N 3.06Å; K103-N105 PolarHBondContact O-N 3.46Å |
| 104 | A | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | trans | -69.6 | 130.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I76 D101 I109 K134 | I76-A104 HydrophobicContact CG1-CB 4.5Å; I76-A104 HydrophobicContact CG2-CB 3.95Å; D101-A104 HydrophobicContact CB-CB 4.39Å; D101-A104 VanDerWaalsContact O-CB 3.29Å; D101-A104 WeakPolarHBondContact O-CB 3.13Å; D101-A104 PolarHBondContact O-N 3.13Å; A104-I109 HydrophobicContact CB-CD1 4.29Å; A104-I109 HydrophobicContact CB-CG1 4.01Å; A104-K134 PolarHBondContact O-NZ 2.97Å | ||
| 105 | N | 97.2 | Very high | 97.3 | Very high | 99 Ų | 99 | 54.6 Ų | 54.6 | 53% | 0.529 | 26% | 0.256 | S | S | . | . | trans | -87 | 157.4 | 174.2 | -70.9 | -23.3 | 0 | 0 | 0 | 111.4 | K103 H107 Q108 I109 | K103-N105 PolarHBondContact O-N 3.46Å; N105-H107 PolarHBondContact O-N 3.38Å; N105-H107 VanDerWaalsContact O-N 3.17Å; N105-Q108 HydrophobicContact CB-CG 4.37Å; N105-Q108 WeakPolarHBondContact O-CB 3.43Å; N105-Q108 PolarHBondContact O-N 3.45Å; N105-I109 WeakPolarHBondContact O-CG1 3.29Å; N105-I109 PolarHBondContact O-N 2.95Å | ||
| 106 | K | 98.1 | Very high | 97.2 | Very high | 104 Ų | 104 | 56 Ų | 56 | 45% | 0.452 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -54.3 | -38.6 | 179.3 | -67.3 | -179.8 | 178.5 | -175.1 | 0 | 113.3 | I109 K110 V124 T126 | K106-I109 PolarHBondContact O-N 2.93Å; K106-K110 WeakPolarHBondContact O-CB 3.5Å; K106-K110 PolarHBondContact O-N 3.27Å; K106-V124 HydrophobicContact CB-CB 4.41Å; K106-V124 WeakPolarHBondContact CD-O 3.34Å; K106-V124 HydrophobicContact CG-CG1 4.44Å; K106-T126 WeakPolarHBondContact CE-OG1 3.43Å; K106-T126 HydrophobicContact CG-CG2 4.09Å |
| 107 | H | 97.3 | Very high | 97.1 | Very high | 148 Ų | 148 | 58.5 Ų | 58.5 | 69% | 0.685 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -67 | -38.5 | 176.9 | -57.6 | -69 | 0 | 0 | 0 | 112.8 | N105 K110 Q111 | N105-H107 PolarHBondContact O-N 3.38Å; N105-H107 VanDerWaalsContact O-N 3.17Å; H107-K110 PolarHBondContact O-N 3.41Å; H107-Q111 WeakPolarHBondContact O-CG 3.29Å; H107-Q111 PolarHBondContact O-N 3.28Å |
| 108 | Q | 97.1 | Very high | 96.8 | Very high | 65 Ų | 65 | 63.6 Ų | 63.6 | 30% | 0.304 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.2 | -41.9 | 177.6 | -69.2 | 172.3 | -35.1 | 0 | 0 | 110.7 | I76 N105 Q111 A112 | I76-Q108 HydrophobicContact CD1-CB 3.94Å; N105-Q108 HydrophobicContact CB-CG 4.37Å; N105-Q108 WeakPolarHBondContact O-CB 3.43Å; N105-Q108 PolarHBondContact O-N 3.45Å; Q108-Q111 PolarHBondContact O-N 3.35Å; Q108-A112 VanDerWaalsContact O-CB 3.31Å; Q108-A112 WeakPolarHBondContact O-CB 3.39Å; Q108-A112 PolarHBondContact O-N 3.05Å |
| 109 | I | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.9 | -48 | 175.2 | -61.9 | 162.4 | 0 | 0 | 0 | 110 | I76 V100 A104 N105 K106 Q111 A112 V113 V124 T126 A136 V138 | I76-I109 HydrophobicContact CG2-CG1 3.96Å; V100-I109 HydrophobicContact CB-CD1 4.44Å; V100-I109 HydrophobicContact CG1-CD1 4.41Å; V100-I109 HydrophobicContact CG1-CG1 4.33Å; V100-I109 HydrophobicContact CG1-CG2 4.45Å; V100-I109 HydrophobicContact CG2-CD1 3.89Å; V100-I109 HydrophobicContact CG2-CG1 4.49Å; A104-I109 HydrophobicContact CB-CD1 4.29Å; A104-I109 HydrophobicContact CB-CG1 4.01Å; N105-I109 WeakPolarHBondContact O-CG1 3.29Å; N105-I109 PolarHBondContact O-N 2.95Å; K106-I109 PolarHBondContact O-N 2.93Å; I109-Q111 VanDerWaalsContact C-N 3.32Å; I109-Q111 PolarHBondContact O-N 3.45Å; I109-A112 PolarHBondContact O-N 2.98Å; I109-A112 VanDerWaalsContact O-N 3.17Å; I109-V113 HydrophobicContact CG2-CG2 4.28Å; I109-V113 WeakPolarHBondContact O-CG2 3.21Å; I109-V113 PolarHBondContact O-N 2.88Å; I109-V124 HydrophobicContact CB-CG1 4.35Å; I109-V124 HydrophobicContact CD1-CG1 4.43Å; I109-V124 HydrophobicContact CG2-CG1 4.05Å; I109-T126 HydrophobicContact CD1-CG2 3.68Å; I109-A136 HydrophobicContact CD1-CB 4.22Å; I109-A136 HydrophobicContact CG2-CB 4.3Å; I109-V138 HydrophobicContact CG2-CG2 4.17Å |
| 110 | K | 97.8 | Very high | 96.6 | Very high | 87 Ų | 87 | 66.4 Ų | 66.4 | 38% | 0.378 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56 | -45.2 | 176.1 | 174 | 157 | 180 | 168.7 | 0 | 112.5 | K106 H107 K114 V121 V124 | K106-K110 WeakPolarHBondContact O-CB 3.5Å; K106-K110 PolarHBondContact O-N 3.27Å; H107-K110 PolarHBondContact O-N 3.41Å; K110-K114 WeakPolarHBondContact O-CB 3.14Å; K110-K114 PolarHBondContact O-N 2.85Å; K110-K114 VanDerWaalsContact O-N 3.13Å; K110-V121 HydrophobicContact CD-CB 4.19Å; K110-V121 HydrophobicContact CD-CG1 4.31Å; K110-V121 WeakPolarHBondContact CE-O 3.24Å; K110-V121 HydrophobicContact CG-CB 4.02Å; K110-V121 HydrophobicContact CG-CG1 4.36Å; K110-V121 PolarHBondContact NZ-O 2.84Å; K110-V124 HydrophobicContact CB-CG2 4.09Å |
| 111 | Q | 96.8 | Very high | 96.5 | Very high | 115 Ų | 115 | 66.7 Ų | 66.7 | 54% | 0.537 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.7 | -36.9 | 177.5 | -72.7 | 174.5 | -6.4 | 0 | 0 | 113.1 | H107 Q108 I109 K115 | H107-Q111 WeakPolarHBondContact O-CG 3.29Å; H107-Q111 PolarHBondContact O-N 3.28Å; Q108-Q111 PolarHBondContact O-N 3.35Å; I109-Q111 VanDerWaalsContact C-N 3.32Å; I109-Q111 PolarHBondContact O-N 3.45Å; Q111-K115 WeakPolarHBondContact O-CB 3.43Å; Q111-K115 WeakPolarHBondContact O-CG 3.15Å; Q111-K115 PolarHBondContact O-N 3.46Å; Q111-K115 VanDerWaalsContact O-N 3.08Å |
| 112 | A | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.4 | -46.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | H73 I76 I77 Q108 I109 K114 K115 L116 | H73-A112 HydrophobicContact CB-CB 4.12Å; I76-A112 HydrophobicContact CB-CB 4.15Å; I76-A112 HydrophobicContact CD1-CB 4.14Å; I76-A112 HydrophobicContact CG2-CB 3.95Å; I77-A112 HydrophobicContact CD1-CB 3.76Å; I77-A112 HydrophobicContact CG1-CB 3.95Å; Q108-A112 VanDerWaalsContact O-CB 3.31Å; Q108-A112 WeakPolarHBondContact O-CB 3.39Å; Q108-A112 PolarHBondContact O-N 3.05Å; I109-A112 PolarHBondContact O-N 2.98Å; I109-A112 VanDerWaalsContact O-N 3.17Å; A112-K114 VanDerWaalsContact C-N 3.31Å; A112-K114 PolarHBondContact O-N 3.35Å; A112-K115 PolarHBondContact O-N 2.89Å; A112-L116 WeakPolarHBondContact O-CB 3.26Å; A112-L116 WeakPolarHBondContact O-CG 3.46Å; A112-L116 PolarHBondContact O-N 2.68Å |
| 113 | V | 96.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.4 | -46.4 | 175.8 | 174.8 | 0 | 0 | 0 | 0 | 110.2 | I77 F98 I109 K115 L116 Y117 I119 V121 V138 | I77-V113 HydrophobicContact CD1-CB 4.2Å; I77-V113 HydrophobicContact CD1-CG2 3.4Å; F98-V113 HydrophobicContact CD2-CG2 4.48Å; F98-V113 HydrophobicContact CE2-CG2 4.17Å; I109-V113 HydrophobicContact CG2-CG2 4.28Å; I109-V113 WeakPolarHBondContact O-CG2 3.21Å; I109-V113 PolarHBondContact O-N 2.88Å; V113-K115 VanDerWaalsContact C-N 3.31Å; V113-K115 PolarHBondContact O-N 3.16Å; V113-L116 PolarHBondContact O-N 2.84Å; V113-Y117 HydrophobicContact CG1-CD2 4.28Å; V113-Y117 PolarHBondContact O-N 2.8Å; V113-Y117 VanDerWaalsContact O-N 3.11Å; V113-I119 HydrophobicContact CG1-CD1 4.15Å; V113-V121 HydrophobicContact CB-CG2 4.05Å; V113-V121 HydrophobicContact CG1-CG2 3.76Å; V113-V138 HydrophobicContact CG1-CG1 4.29Å; V113-V138 HydrophobicContact CG2-CG1 4.24Å; V113-V138 HydrophobicContact CG2-CG2 4.31Å |
| 114 | K | 96.1 | Very high | 96.6 | Very high | 102 Ų | 102 | 63 Ų | 63 | 44% | 0.443 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.5 | -39.9 | 178.9 | -178.9 | 166.8 | -177.4 | 154 | 0 | 113 | K110 A112 D118 I119 D120 | K110-K114 WeakPolarHBondContact O-CB 3.14Å; K110-K114 PolarHBondContact O-N 2.85Å; K110-K114 VanDerWaalsContact O-N 3.13Å; A112-K114 VanDerWaalsContact C-N 3.31Å; A112-K114 PolarHBondContact O-N 3.35Å; K114-D118 WeakPolarHBondContact O-CA 3.46Å; K114-D118 PolarHBondContact O-N 2.99Å; K114-D118 VanDerWaalsContact O-N 3.12Å; K114-I119 VanDerWaalsContact CA-O 3.23Å; K114-I119 WeakPolarHBondContact CA-O 3.42Å; K114-I119 WeakPolarHBondContact CB-O 3.43Å; K114-D120 WeakPolarHBondContact CD-OD1 3.32Å; K114-D120 VanDerWaalsContact CE-OD1 3.23Å; K114-D120 WeakPolarHBondContact CE-OD1 3.3Å; K114-D120 IonicContact NZ-OD1 3.63Å; K114-D120 PolarHBondContact NZ-OD1 3.11Å; K114-D120 IonicContact NZ-OD2 3.64Å |
| 115 | K | 95.8 | Very high | 96.7 | Very high | 128 Ų | 128 | 66.5 Ų | 66.5 | 56% | 0.557 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -81.9 | -31.6 | -177.9 | -75.4 | 179.2 | 177.4 | -166.3 | 0 | 114.5 | H73 Q111 A112 V113 | H73-K115 WeakPolarHBondContact NE2-CD 3.29Å; H73-K115 PolarHBondContact NE2-NZ 2.71Å; Q111-K115 WeakPolarHBondContact O-CB 3.43Å; Q111-K115 WeakPolarHBondContact O-CG 3.15Å; Q111-K115 PolarHBondContact O-N 3.46Å; Q111-K115 VanDerWaalsContact O-N 3.08Å; A112-K115 PolarHBondContact O-N 2.89Å; V113-K115 VanDerWaalsContact C-N 3.31Å; V113-K115 PolarHBondContact O-N 3.16Å |
| 116 | L | 94.7 | Very high | 96.7 | Very high | 43 Ų | 43 | 64 Ų | 64 | 23% | 0.225 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -82 | -34.5 | -176.6 | -70.4 | -177.1 | 0 | 0 | 0 | 112.2 | H73 Y74 I77 A112 V113 | H73-L116 HydrophobicContact CB-CD1 4.33Å; H73-L116 HydrophobicContact CB-CD2 4.08Å; H73-L116 HydrophobicContact CB-CG 4.1Å; Y74-L116 HydrophobicContact CD1-CD1 4.35Å; Y74-L116 HydrophobicContact CD1-CD2 3.86Å; Y74-L116 HydrophobicContact CE1-CD2 3.37Å; Y74-L116 HydrophobicContact CE2-CD2 4.23Å; Y74-L116 HydrophobicContact CG-CD2 4.47Å; I77-L116 HydrophobicContact CB-CD1 4.39Å; I77-L116 HydrophobicContact CD1-CD1 4.26Å; A112-L116 WeakPolarHBondContact O-CB 3.26Å; A112-L116 WeakPolarHBondContact O-CG 3.46Å; A112-L116 PolarHBondContact O-N 2.68Å; V113-L116 PolarHBondContact O-N 2.84Å |
| 117 | Y | 94.6 | Very high | 96.7 | Very high | 57 Ų | 57 | 62.2 Ų | 62.2 | 22% | 0.224 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -120 | -1.2 | -172.2 | -54 | -61.9 | 0 | 0 | 0 | 113.3 | F98 V113 I119 I153 | F98-Y117 AromaticContact CE1-CE2 3.85Å; F98-Y117 HydrophobicContact CE1-CE2 3.85Å; F98-Y117 HydrophobicContact CZ-CD2 4.41Å; F98-Y117 AromaticContact CZ-CE2 3.87Å; F98-Y117 HydrophobicContact CZ-CE2 3.87Å; V113-Y117 HydrophobicContact CG1-CD2 4.28Å; V113-Y117 PolarHBondContact O-N 2.8Å; V113-Y117 VanDerWaalsContact O-N 3.11Å; Y117-I119 HydrophobicContact CD2-CD1 4.43Å; Y117-I119 HydrophobicContact CG-CD1 4.24Å; Y117-I119 WeakPolarHBondContact O-CG1 3.44Å; Y117-I119 PolarHBondContact O-N 3.05Å; Y117-I153 HydrophobicContact CD1-CD1 3.84Å; Y117-I153 HydrophobicContact CD1-CG1 3.67Å; Y117-I153 HydrophobicContact CD2-CD1 4.25Å; Y117-I153 HydrophobicContact CE1-CD1 3.76Å; Y117-I153 HydrophobicContact CE1-CG1 3.59Å; Y117-I153 HydrophobicContact CE1-CG2 4.19Å; Y117-I153 HydrophobicContact CE2-CD1 4.17Å; Y117-I153 HydrophobicContact CG-CD1 4.08Å; Y117-I153 HydrophobicContact CG-CG1 4.37Å |
| 118 | D | 93.6 | Very high | 96.7 | Very high | 112 Ų | 112 | 60.4 Ų | 60.4 | 60% | 0.599 | 30% | 0.3 | S | S | * | . | trans | 59.2 | 38.9 | -178.7 | -58.3 | -50.6 | 0 | 0 | 0 | 114.3 | K114 | K114-D118 WeakPolarHBondContact O-CA 3.46Å; K114-D118 PolarHBondContact O-N 2.99Å; K114-D118 VanDerWaalsContact O-N 3.12Å | ||
| 119 | I | 94.5 | Very high | 96.7 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | trans | -114.3 | 141.4 | -175.9 | -41.7 | 153.4 | 0 | 0 | 0 | 111.3 | L96 V113 K114 Y117 L140 Y144 V149 | L96-I119 HydrophobicContact CD1-CD1 4.32Å; V113-I119 HydrophobicContact CG1-CD1 4.15Å; K114-I119 VanDerWaalsContact CA-O 3.23Å; K114-I119 WeakPolarHBondContact CA-O 3.42Å; K114-I119 WeakPolarHBondContact CB-O 3.43Å; Y117-I119 HydrophobicContact CD2-CD1 4.43Å; Y117-I119 HydrophobicContact CG-CD1 4.24Å; Y117-I119 WeakPolarHBondContact O-CG1 3.44Å; Y117-I119 PolarHBondContact O-N 3.05Å; I119-L140 HydrophobicContact CG2-CB 4.47Å; I119-L140 HydrophobicContact CG2-CD1 4.01Å; I119-L140 HydrophobicContact CG2-CD2 3.7Å; I119-L140 HydrophobicContact CG2-CG 4.26Å; I119-Y144 HydrophobicContact CG2-CD1 3.89Å; I119-Y144 HydrophobicContact CG2-CD2 4.12Å; I119-Y144 HydrophobicContact CG2-CE1 4.42Å; I119-Y144 HydrophobicContact CG2-CG 3.71Å; I119-V149 HydrophobicContact CD1-CB 4.29Å; I119-V149 HydrophobicContact CD1-CG1 3.33Å; I119-V149 HydrophobicContact CD1-CG2 3.99Å; I119-V149 HydrophobicContact CG1-CG1 4.17Å; I119-V149 HydrophobicContact CG1-CG2 4.02Å | ||
| 120 | D | 95.9 | Very high | 96.7 | Very high | 58 Ų | 58 | 65.9 Ų | 65.9 | 31% | 0.31 | 34% | 0.335 | S | S | . | . | trans | -86 | 131.7 | 167.7 | -82 | -46.1 | 0 | 0 | 0 | 113.4 | K114 A141 Y144 | K114-D120 WeakPolarHBondContact CD-OD1 3.32Å; K114-D120 VanDerWaalsContact CE-OD1 3.23Å; K114-D120 WeakPolarHBondContact CE-OD1 3.3Å; K114-D120 IonicContact NZ-OD1 3.63Å; K114-D120 PolarHBondContact NZ-OD1 3.11Å; K114-D120 IonicContact NZ-OD2 3.64Å; D120-A141 HydrophobicContact CB-CB 4.06Å; D120-A141 WeakPolarHBondContact O-CB 3.21Å; D120-A141 PolarHBondContact O-N 2.81Å; D120-Y144 HydrophobicContact CB-CD2 4.31Å; D120-Y144 HydrophobicContact CB-CE2 3.79Å | ||
| 121 | V | 97.3 | Very high | 96.6 | Very high | 5 Ų | 5 | 66.9 Ų | 66.9 | 3% | 0.03 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 123.9 | -176.5 | 176.6 | 0 | 0 | 0 | 0 | 109.9 | K110 V113 V124 V138 R139 | K110-V121 HydrophobicContact CD-CB 4.19Å; K110-V121 HydrophobicContact CD-CG1 4.31Å; K110-V121 WeakPolarHBondContact CE-O 3.24Å; K110-V121 HydrophobicContact CG-CB 4.02Å; K110-V121 HydrophobicContact CG-CG1 4.36Å; K110-V121 PolarHBondContact NZ-O 2.84Å; V113-V121 HydrophobicContact CB-CG2 4.05Å; V113-V121 HydrophobicContact CG1-CG2 3.76Å; V121-V124 HydrophobicContact CG1-CG2 3.65Å; V121-V138 HydrophobicContact CB-CG1 4.24Å; V121-V138 HydrophobicContact CG1-CG1 3.55Å; V121-V138 HydrophobicContact CG2-CG1 3.64Å; V121-R139 WeakPolarHBondContact CG1-O 3.08Å |
| 122 | A | 96.9 | Very high | 96.5 | Very high | 54 Ų | 54 | 63.4 Ų | 63.4 | 45% | 0.446 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | -56.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.1 | R139 L140 | A122-R139 HydrophobicContact CB-CG 4.5Å; A122-R139 PolarHBondContact N-O 2.93Å; A122-L140 WeakPolarHBondContact CB-O 2.98Å |
| 123 | K | 97.6 | Very high | 96.5 | Very high | 131 Ų | 131 | 65.5 Ų | 65.5 | 57% | 0.57 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 145.7 | -173.8 | -173.4 | 173.5 | 180 | 177.4 | 0 | 112.2 | N125 R139 | K123-N125 WeakPolarHBondContact CE-OD1 3.32Å; K123-R139 HydrophobicContact CB-CB 4.49Å; K123-R139 PolarHBondContact N-O 2.97Å; K123-R139 PolarHBondContact O-N 2.9Å |
| 124 | V | 98.4 | Very high | 96.6 | Very high | 12 Ų | 12 | 66.6 Ų | 66.6 | 7% | 0.073 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 125.6 | 173.5 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | K106 I109 K110 V121 T126 A136 Y137 V138 | K106-V124 HydrophobicContact CB-CB 4.41Å; K106-V124 WeakPolarHBondContact CD-O 3.34Å; K106-V124 HydrophobicContact CG-CG1 4.44Å; I109-V124 HydrophobicContact CB-CG1 4.35Å; I109-V124 HydrophobicContact CD1-CG1 4.43Å; I109-V124 HydrophobicContact CG2-CG1 4.05Å; K110-V124 HydrophobicContact CB-CG2 4.09Å; V121-V124 HydrophobicContact CG1-CG2 3.65Å; V124-T126 HydrophobicContact CG1-CG2 4.04Å; V124-A136 HydrophobicContact CG1-CB 4.49Å; V124-Y137 WeakPolarHBondContact CA-O 3.04Å; V124-V138 HydrophobicContact CG1-CG2 4.36Å; V124-V138 HydrophobicContact CG2-CG1 4.4Å; V124-V138 HydrophobicContact CG2-CG2 4.39Å |
| 125 | N | 98.3 | Very high | 96.7 | Very high | 74 Ų | 74 | 63.2 Ų | 63.2 | 40% | 0.396 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 143.4 | 168.6 | -65.8 | -17.4 | 0 | 0 | 0 | 108.9 | K123 A136 Y137 | K123-N125 WeakPolarHBondContact CE-OD1 3.32Å; N125-A136 CarbonylContact O-C 3.54Å; N125-A136 WeakPolarHBondContact O-CA 3.46Å; N125-Y137 PolarHBondContact N-O 3.42Å; N125-Y137 PolarHBondContact O-N 3.14Å |
| 126 | T | 98.4 | Very high | 96.8 | Very high | 46 Ų | 46 | 57.1 Ų | 57.1 | 28% | 0.282 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 144.1 | -176.4 | 53.4 | 0 | 0 | 0 | 0 | 110.1 | K106 I109 V124 K134 K135 A136 | K106-T126 WeakPolarHBondContact CE-OG1 3.43Å; K106-T126 HydrophobicContact CG-CG2 4.09Å; I109-T126 HydrophobicContact CD1-CG2 3.68Å; V124-T126 HydrophobicContact CG1-CG2 4.04Å; T126-K134 HydrophobicContact CG2-CD 4.28Å; T126-K135 CarbonylContact C-O 3.6Å; T126-K135 VanDerWaalsContact CA-O 3.3Å; T126-K135 WeakPolarHBondContact CA-O 3.49Å; T126-A136 HydrophobicContact CG2-CB 4.09Å |
| 127 | L | 97.9 | Very high | 97 | Very high | 68 Ų | 68 | 58.6 Ų | 58.6 | 36% | 0.356 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 158.7 | 167.2 | 63.3 | 148.6 | 0 | 0 | 0 | 110 | K134 K135 Y137 | L127-K134 CarbonylContact O-C 3.54Å; L127-K134 WeakPolarHBondContact O-CA 3.37Å; L127-K134 WeakPolarHBondContact O-CG 3.48Å; L127-K135 HydrophobicContact CD2-CB 3.94Å; L127-K135 HydrophobicContact CD2-CD 4.19Å; L127-K135 HydrophobicContact CD2-CG 4.26Å; L127-K135 HydrophobicContact CG-CB 4.03Å; L127-K135 PolarHBondContact N-O 2.98Å; L127-K135 PolarHBondContact O-N 3.32Å; L127-Y137 HydrophobicContact CD2-CD2 3.87Å; L127-Y137 HydrophobicContact CD2-CE2 3.23Å |
| 128 | I | 98.1 | Very high | 97.2 | Very high | 110 Ų | 110 | 55.9 Ų | 55.9 | 56% | 0.564 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 127.2 | 167.7 | -60.6 | 175.6 | 0 | 0 | 0 | 106.9 | ||
| 129 | R | 97.1 | Very high | 97.4 | Very high | 46 Ų | 46 | 57.3 Ų | 57.3 | 17% | 0.174 | 30% | 0.303 | C | S | . | . | trans | -76.6 | 156.2 | 174.6 | -67.5 | -163.6 | -74.7 | 162.9 | -11.9 | 110.4 | D131 G132 E133 K135 | R129-D131 HydrophobicContact CB-CB 4.36Å; R129-D131 IonicContact CZ-OD2 3.13Å; R129-D131 IonicContact NE-OD2 2.85Å; R129-D131 IonicContact NH1-OD2 2.67Å; R129-D131 PolarHBondContact NH1-OD2 2.79Å; R129-D131 PolarHBondContact O-N 3.22Å; R129-D131 VanDerWaalsContact O-N 3.17Å; R129-G132 PolarHBondContact O-N 3.03Å; R129-E133 WeakPolarHBondContact CB-O 3.41Å; R129-E133 IonicContact CZ-OE2 3.37Å; R129-E133 PolarHBondContact N-O 3.46Å; R129-E133 IonicContact NH2-OE2 3.75Å; R129-E133 PolarHBondContact NH2-OE2 3.2Å; R129-K135 HydrophobicContact CG-CB 4.09Å | ||
| 130 | P | 97.6 | Very high | 97.5 | Very high | 134 Ų | 134 | 57.4 Ų | 57.4 | 87% | 0.87 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -26.6 | 171.4 | 25 | -34.8 | 0 | 0 | 0 | 112.7 | G132 | P130-G132 PolarHBondContact O-N 3.09Š|
| 131 | D | 94.1 | Very high | 97.6 | Very high | 107 Ų | 107 | 55.2 Ų | 55.2 | 57% | 0.572 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -5.5 | 174.2 | -41.8 | -31.7 | 0 | 0 | 0 | 113.8 | R129 E133 | R129-D131 HydrophobicContact CB-CB 4.36Å; R129-D131 IonicContact CZ-OD2 3.13Å; R129-D131 IonicContact NE-OD2 2.85Å; R129-D131 IonicContact NH1-OD2 2.67Å; R129-D131 PolarHBondContact NH1-OD2 2.79Å; R129-D131 PolarHBondContact O-N 3.22Å; R129-D131 VanDerWaalsContact O-N 3.17Å; D131-E133 VanDerWaalsContact C-N 3.3Å; D131-E133 PolarHBondContact O-N 3.45Å |
| 132 | G | 95.4 | Very high | 97.5 | Very high | 42 Ų | 42 | 60.6 Ų | 60.6 | 43% | 0.433 | 33% | 0.328 | S | S | . | . | S | Bend | trans | 83.9 | -1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | V102 R129 P130 | V102-G132 WeakPolarHBondContact CG2-O 3.33Å; R129-G132 PolarHBondContact O-N 3.03Å; P130-G132 PolarHBondContact O-N 3.09Å |
| 133 | E | 97.3 | Very high | 97.4 | Very high | 44 Ų | 44 | 64.9 Ų | 64.9 | 21% | 0.206 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -94.1 | 148.9 | 176.9 | -58.9 | -158.7 | 122.1 | 0 | 0 | 112.8 | K78 I99 R129 D131 | K78-E133 IonicContact NZ-OE1 2.66Å; K78-E133 PolarHBondContact NZ-OE1 3.41Å; K78-E133 VanDerWaalsContact NZ-OE1 3.13Å; I99-E133 HydrophobicContact CG2-CB 4.12Å; I99-E133 VanDerWaalsContact CG2-OE2 3.28Å; I99-E133 WeakPolarHBondContact CG2-OE2 3.44Å; R129-E133 WeakPolarHBondContact CB-O 3.41Å; R129-E133 IonicContact CZ-OE2 3.37Å; R129-E133 PolarHBondContact N-O 3.46Å; R129-E133 IonicContact NH2-OE2 3.75Å; R129-E133 PolarHBondContact NH2-OE2 3.2Å; D131-E133 VanDerWaalsContact C-N 3.3Å; D131-E133 PolarHBondContact O-N 3.45Å |
| 134 | K | 98.4 | Very high | 97.3 | Very high | 23 Ų | 23 | 62.5 Ų | 62.5 | 10% | 0.1 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 126.2 | 176.3 | -174.1 | 179.4 | -60.9 | -178 | 0 | 109.8 | V100 V102 A104 T126 L127 | V100-K134 HydrophobicContact CG2-CB 3.71Å; V100-K134 HydrophobicContact CG2-CD 3.72Å; V100-K134 HydrophobicContact CG2-CG 3.59Å; V100-K134 WeakPolarHBondContact CG2-O 3.36Å; V100-K134 PolarHBondContact N-O 3.49Å; V102-K134 WeakPolarHBondContact O-CE 3.36Å; V102-K134 PolarHBondContact O-NZ 2.89Å; A104-K134 PolarHBondContact O-NZ 2.97Å; T126-K134 HydrophobicContact CG2-CD 4.28Å; L127-K134 CarbonylContact O-C 3.54Å; L127-K134 WeakPolarHBondContact O-CA 3.37Å; L127-K134 WeakPolarHBondContact O-CG 3.48Å |
| 135 | K | 98.4 | Very high | 97.1 | Very high | 32 Ų | 32 | 65.6 Ų | 65.6 | 14% | 0.139 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 131.9 | 171.5 | -173.7 | -174.3 | -57.5 | -167 | 0 | 108.9 | L81 V97 F98 I99 T126 L127 R129 Y137 | L81-K135 HydrophobicContact CD2-CD 3.91Å; L81-K135 HydrophobicContact CD2-CG 4.39Å; V97-K135 HydrophobicContact CG1-CD 3.9Å; V97-K135 HydrophobicContact CG1-CG 3.73Å; F98-K135 CarbonylContact O-C 3.41Å; F98-K135 WeakPolarHBondContact O-CA 3.43Å; I99-K135 HydrophobicContact CD1-CB 4.15Å; I99-K135 HydrophobicContact CD1-CG 4.27Å; T126-K135 CarbonylContact C-O 3.6Å; T126-K135 VanDerWaalsContact CA-O 3.3Å; T126-K135 WeakPolarHBondContact CA-O 3.49Å; L127-K135 HydrophobicContact CD2-CB 3.94Å; L127-K135 HydrophobicContact CD2-CD 4.19Å; L127-K135 HydrophobicContact CD2-CG 4.26Å; L127-K135 HydrophobicContact CG-CB 4.03Å; L127-K135 PolarHBondContact N-O 2.98Å; L127-K135 PolarHBondContact O-N 3.32Å; R129-K135 HydrophobicContact CG-CB 4.09Å; K135-Y137 HydrophobicContact CD-CE1 4.24Å; K135-Y137 HydrophobicContact CD-CE2 4.34Å |
| 136 | A | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 123.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110.4 | V97 F98 V100 I109 V124 N125 T126 V138 | V97-A136 WeakPolarHBondContact CA-O 3.36Å; F98-A136 PolarHBondContact N-O 2.97Å; F98-A136 PolarHBondContact O-N 3.31Å; V100-A136 HydrophobicContact CG1-CB 3.91Å; V100-A136 HydrophobicContact CG2-CB 4.06Å; I109-A136 HydrophobicContact CD1-CB 4.22Å; I109-A136 HydrophobicContact CG2-CB 4.3Å; V124-A136 HydrophobicContact CG1-CB 4.49Å; N125-A136 CarbonylContact O-C 3.54Å; N125-A136 WeakPolarHBondContact O-CA 3.46Å; T126-A136 HydrophobicContact CG2-CB 4.09Å; A136-V138 HydrophobicContact CB-CG2 4.37Å |
| 137 | Y | 98.4 | Very high | 96.8 | Very high | 74 Ų | 74 | 62.6 Ų | 62.6 | 29% | 0.29 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 117.7 | 166.3 | -58.2 | -79.2 | 0 | 0 | 0 | 108.4 | V97 V124 N125 L127 K135 | V97-Y137 HydrophobicContact CB-CD1 4.44Å; V97-Y137 HydrophobicContact CG1-CD1 4.05Å; V97-Y137 HydrophobicContact CG1-CE1 3.98Å; V97-Y137 HydrophobicContact CG2-CD1 3.65Å; V97-Y137 HydrophobicContact CG2-CE1 3.92Å; V124-Y137 WeakPolarHBondContact CA-O 3.04Å; N125-Y137 PolarHBondContact N-O 3.42Å; N125-Y137 PolarHBondContact O-N 3.14Å; L127-Y137 HydrophobicContact CD2-CD2 3.87Å; L127-Y137 HydrophobicContact CD2-CE2 3.23Å; K135-Y137 HydrophobicContact CD-CE1 4.24Å; K135-Y137 HydrophobicContact CD-CE2 4.34Å |
| 138 | V | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 104.5 | -174.6 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | T95 L96 F98 I109 V113 V121 V124 A136 L140 | T95-V138 CarbonylContact C-O 3.55Å; T95-V138 VanDerWaalsContact CA-O 3.29Å; T95-V138 WeakPolarHBondContact CA-O 3.28Å; L96-V138 PolarHBondContact N-O 2.78Å; L96-V138 PolarHBondContact O-N 2.72Å; F98-V138 HydrophobicContact CD2-CB 4.36Å; F98-V138 HydrophobicContact CD2-CG2 3.81Å; F98-V138 HydrophobicContact CE2-CB 4.36Å; F98-V138 HydrophobicContact CE2-CG2 4.23Å; I109-V138 HydrophobicContact CG2-CG2 4.17Å; V113-V138 HydrophobicContact CG1-CG1 4.29Å; V113-V138 HydrophobicContact CG2-CG1 4.24Å; V113-V138 HydrophobicContact CG2-CG2 4.31Å; V121-V138 HydrophobicContact CB-CG1 4.24Å; V121-V138 HydrophobicContact CG1-CG1 3.55Å; V121-V138 HydrophobicContact CG2-CG1 3.64Å; V124-V138 HydrophobicContact CG1-CG2 4.36Å; V124-V138 HydrophobicContact CG2-CG1 4.4Å; V124-V138 HydrophobicContact CG2-CG2 4.39Å; A136-V138 HydrophobicContact CB-CG2 4.37Å; V138-L140 HydrophobicContact CG1-CD2 4.31Å |
| 139 | R | 97.9 | Very high | 96.5 | Very high | 142 Ų | 142 | 60 Ų | 60 | 54% | 0.536 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 123.4 | 174.8 | -170.2 | 171.7 | 179.5 | 172.9 | -0.8 | 109.4 | T95 V121 A122 K123 | T95-R139 HydrophobicContact CG2-CB 3.62Å; T95-R139 HydrophobicContact CG2-CG 3.84Å; V121-R139 WeakPolarHBondContact CG1-O 3.08Å; A122-R139 HydrophobicContact CB-CG 4.5Å; A122-R139 PolarHBondContact N-O 2.93Å; K123-R139 HydrophobicContact CB-CB 4.49Å; K123-R139 PolarHBondContact N-O 2.97Å; K123-R139 PolarHBondContact O-N 2.9Å |
| 140 | L | 97.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 161.1 | 179.2 | -54.3 | -173.5 | 0 | 0 | 0 | 110.9 | N94 L96 I119 A122 V138 A146 V149 | N94-L140 PolarHBondContact O-N 3.41Å; N94-L140 VanDerWaalsContact O-N 3.1Å; L96-L140 HydrophobicContact CD1-CD1 4.21Å; L96-L140 HydrophobicContact CD1-CD2 4.28Å; L96-L140 HydrophobicContact CG-CD1 4.39Å; I119-L140 HydrophobicContact CG2-CB 4.47Å; I119-L140 HydrophobicContact CG2-CD1 4.01Å; I119-L140 HydrophobicContact CG2-CD2 3.7Å; I119-L140 HydrophobicContact CG2-CG 4.26Å; A122-L140 WeakPolarHBondContact CB-O 2.98Å; V138-L140 HydrophobicContact CG1-CD2 4.31Å; L140-A146 HydrophobicContact CD1-CB 3.8Å; L140-V149 HydrophobicContact CD1-CG2 4.33Å |
| 141 | A | 96.9 | Very high | 96.2 | Very high | 13 Ų | 13 | 55.4 Ų | 55.4 | 11% | 0.107 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 150.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | D120 D143 Y144 | D120-A141 HydrophobicContact CB-CB 4.06Å; D120-A141 WeakPolarHBondContact O-CB 3.21Å; D120-A141 PolarHBondContact O-N 2.81Å; A141-D143 PolarHBondContact O-N 2.82Å; A141-D143 VanDerWaalsContact O-N 3.1Å; A141-Y144 HydrophobicContact CB-CD2 4.24Å; A141-Y144 PolarHBondContact O-N 2.89Å; A141-Y144 VanDerWaalsContact O-N 3.09Å |
| 142 | P | 95.6 | Very high | 96.2 | Very high | 117 Ų | 117 | 57.9 Ų | 57.9 | 76% | 0.76 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -18.7 | -177.9 | 27.1 | -35.6 | 0 | 0 | 0 | 113.4 | Y144 | P142-Y144 PolarHBondContact O-N 2.81Š|
| 143 | D | 95 | Very high | 96 | Very high | 144 Ų | 144 | 57.9 Ų | 57.9 | 77% | 0.77 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -11.8 | 178.4 | -47.7 | -43.6 | 0 | 0 | 0 | 113.2 | A141 | A141-D143 PolarHBondContact O-N 2.82Å; A141-D143 VanDerWaalsContact O-N 3.1Å |
| 144 | Y | 95.4 | Very high | 95.8 | Very high | 82 Ų | 82 | 58.7 Ų | 58.7 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -119.2 | 134.8 | 179.7 | -66.6 | -90.9 | 0 | 0 | 0 | 110.4 | N94 I119 D120 A141 P142 | N94-Y144 PolarHBondContact ND2-O 3.49Å; N94-Y144 PolarHBondContact OD1-O 2.83Å; I119-Y144 HydrophobicContact CG2-CD1 3.89Å; I119-Y144 HydrophobicContact CG2-CD2 4.12Å; I119-Y144 HydrophobicContact CG2-CE1 4.42Å; I119-Y144 HydrophobicContact CG2-CG 3.71Å; D120-Y144 HydrophobicContact CB-CD2 4.31Å; D120-Y144 HydrophobicContact CB-CE2 3.79Å; A141-Y144 HydrophobicContact CB-CD2 4.24Å; A141-Y144 PolarHBondContact O-N 2.89Å; A141-Y144 VanDerWaalsContact O-N 3.09Å; P142-Y144 PolarHBondContact O-N 2.81Å |
| 145 | D | 95.2 | Very high | 95.4 | Very high | 76 Ų | 76 | 59 Ų | 59 | 41% | 0.406 | 31% | 0.307 | S | S | . | . | trans | -90.7 | 128.7 | 171.2 | -165 | -14.2 | 0 | 0 | 0 | 111 | L147 D148 V149 | D145-L147 VanDerWaalsContact C-N 3.27Å; D145-L147 PolarHBondContact O-N 2.86Å; D145-L147 PolarHBondContact OD1-N 3.13Å; D145-D148 HydrophobicContact CB-CB 4.45Å; D145-V149 WeakPolarHBondContact O-CG2 3.4Å; D145-V149 PolarHBondContact O-N 3.44Å | ||
| 146 | A | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.3 | -27.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I90 N94 L96 L140 A150 | I90-A146 HydrophobicContact CG2-CB 3.8Å; N94-A146 WeakPolarHBondContact OD1-CB 3.36Å; N94-A146 PolarHBondContact OD1-N 3.15Å; L96-A146 HydrophobicContact CD2-CB 4.07Å; L96-A146 HydrophobicContact CG-CB 4.26Å; L140-A146 HydrophobicContact CD1-CB 3.8Å; A146-A150 VanDerWaalsContact O-CB 3.24Å; A146-A150 WeakPolarHBondContact O-CB 3.27Å; A146-A150 PolarHBondContact O-N 2.96Å |
| 147 | L | 95.5 | Very high | 94.5 | Very high | 57 Ų | 57 | 66.3 Ų | 66.3 | 30% | 0.298 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.7 | -49.1 | 177.7 | -72.8 | 171.1 | 0 | 0 | 0 | 111.4 | I90 E91 D145 V149 A150 N151 I156 | I90-L147 HydrophobicContact CG2-CD2 3.68Å; I90-L147 HydrophobicContact CG2-CG 4.11Å; E91-L147 HydrophobicContact CG-CD2 3.97Å; D145-L147 VanDerWaalsContact C-N 3.27Å; D145-L147 PolarHBondContact O-N 2.86Å; D145-L147 PolarHBondContact OD1-N 3.13Å; L147-V149 VanDerWaalsContact C-N 3.29Å; L147-V149 PolarHBondContact O-N 2.77Å; L147-A150 WeakPolarHBondContact O-CB 3.48Å; L147-A150 PolarHBondContact O-N 2.99Å; L147-A150 VanDerWaalsContact O-N 3.11Å; L147-N151 VanDerWaalsContact O-CG 3.32Å; L147-N151 PolarHBondContact O-N 3.23Å; L147-N151 PolarHBondContact O-ND2 2.93Å; L147-I156 HydrophobicContact CD2-CD1 3.86Å |
| 148 | D | 94.1 | Very high | 94.3 | Very high | 108 Ų | 108 | 65.8 Ų | 65.8 | 58% | 0.578 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.4 | -41.5 | 177.8 | -71.8 | -17.8 | 0 | 0 | 0 | 112 | D145 N151 K152 | D145-D148 HydrophobicContact CB-CB 4.45Å; D148-N151 PolarHBondContact O-N 3.26Å; D148-K152 PolarHBondContact O-N 2.82Å |
| 149 | V | 93.9 | Very high | 94 | Very high | 17 Ų | 17 | 69.5 Ų | 69.5 | 10% | 0.103 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 175.4 | 172 | 0 | 0 | 0 | 0 | 111.1 | L96 I119 L140 D145 L147 N151 K152 I153 | L96-V149 HydrophobicContact CD1-CB 4.43Å; L96-V149 HydrophobicContact CD1-CG1 3.65Å; I119-V149 HydrophobicContact CD1-CB 4.29Å; I119-V149 HydrophobicContact CD1-CG1 3.33Å; I119-V149 HydrophobicContact CD1-CG2 3.99Å; I119-V149 HydrophobicContact CG1-CG1 4.17Å; I119-V149 HydrophobicContact CG1-CG2 4.02Å; L140-V149 HydrophobicContact CD1-CG2 4.33Å; D145-V149 WeakPolarHBondContact O-CG2 3.4Å; D145-V149 PolarHBondContact O-N 3.44Å; L147-V149 VanDerWaalsContact C-N 3.29Å; L147-V149 PolarHBondContact O-N 2.77Å; V149-N151 VanDerWaalsContact C-N 3.29Å; V149-N151 PolarHBondContact O-N 3.27Å; V149-K152 WeakPolarHBondContact O-CB 3.32Å; V149-K152 PolarHBondContact O-N 2.67Å; V149-K152 VanDerWaalsContact O-N 3.13Å; V149-I153 HydrophobicContact CG1-CD1 3.71Å; V149-I153 HydrophobicContact CG1-CG1 4.27Å; V149-I153 VanDerWaalsContact O-CG1 3.27Å; V149-I153 WeakPolarHBondContact O-CG1 3.39Å; V149-I153 PolarHBondContact O-N 2.85Å |
| 150 | A | 95.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.6 | -38.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I90 L96 A146 L147 I153 G154 I155 I156 | I90-A150 HydrophobicContact CD1-CB 4.28Å; I90-A150 HydrophobicContact CG2-CB 4.35Å; L96-A150 HydrophobicContact CD2-CB 4.32Å; A146-A150 VanDerWaalsContact O-CB 3.24Å; A146-A150 WeakPolarHBondContact O-CB 3.27Å; A146-A150 PolarHBondContact O-N 2.96Å; L147-A150 WeakPolarHBondContact O-CB 3.48Å; L147-A150 PolarHBondContact O-N 2.99Å; L147-A150 VanDerWaalsContact O-N 3.11Å; A150-I153 PolarHBondContact O-N 3.45Å; A150-G154 PolarHBondContact O-N 3.13Å; A150-I155 PolarHBondContact O-N 3.17Å; A150-I156 HydrophobicContact CB-CD1 3.91Å; A150-I156 HydrophobicContact CB-CG1 4.43Å |
| 151 | N | 94.5 | Very high | 93.6 | Very high | 82 Ų | 82 | 69.1 Ų | 69.1 | 44% | 0.439 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 172.4 | -65.9 | -24.6 | 0 | 0 | 0 | 111.5 | L147 D148 V149 I153 G154 I156 | L147-N151 VanDerWaalsContact O-CG 3.32Å; L147-N151 PolarHBondContact O-N 3.23Å; L147-N151 PolarHBondContact O-ND2 2.93Å; D148-N151 PolarHBondContact O-N 3.26Å; V149-N151 VanDerWaalsContact C-N 3.29Å; V149-N151 PolarHBondContact O-N 3.27Å; N151-I153 VanDerWaalsContact C-N 3.28Å; N151-I153 PolarHBondContact O-N 3.07Å; N151-G154 PolarHBondContact O-N 2.97Å; N151-G154 VanDerWaalsContact O-N 3.09Å; N151-I156 VanDerWaalsContact OD1-CB 3.29Å; N151-I156 WeakPolarHBondContact OD1-CB 3.28Å; N151-I156 WeakPolarHBondContact OD1-CG2 3.21Å |
| 152 | K | 92.9 | Very high | 93.4 | Very high | 159 Ų | 159 | 72.9 Ų | 72.9 | 69% | 0.691 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -64 | -33.2 | 176.3 | -171.3 | 178.4 | 179.8 | -174.6 | 0 | 112.7 | D148 V149 G154 | D148-K152 PolarHBondContact O-N 2.82Å; V149-K152 WeakPolarHBondContact O-CB 3.32Å; V149-K152 PolarHBondContact O-N 2.67Å; V149-K152 VanDerWaalsContact O-N 3.13Å; K152-G154 VanDerWaalsContact C-N 3.34Å |
| 153 | I | 92.7 | Very high | 93.2 | Very high | 43 Ų | 43 | 69.7 Ų | 69.7 | 22% | 0.221 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -77.6 | -24.1 | 175.6 | -59.8 | 169.9 | 0 | 0 | 0 | 111.2 | P80 L96 F98 Y117 V149 A150 N151 I155 | P80-I153 HydrophobicContact CG-CG2 4.44Å; L96-I153 HydrophobicContact CD1-CD1 4.4Å; F98-I153 HydrophobicContact CZ-CD1 4.45Å; Y117-I153 HydrophobicContact CD1-CD1 3.84Å; Y117-I153 HydrophobicContact CD1-CG1 3.67Å; Y117-I153 HydrophobicContact CD2-CD1 4.25Å; Y117-I153 HydrophobicContact CE1-CD1 3.76Å; Y117-I153 HydrophobicContact CE1-CG1 3.59Å; Y117-I153 HydrophobicContact CE1-CG2 4.19Å; Y117-I153 HydrophobicContact CE2-CD1 4.17Å; Y117-I153 HydrophobicContact CG-CD1 4.08Å; Y117-I153 HydrophobicContact CG-CG1 4.37Å; V149-I153 HydrophobicContact CG1-CD1 3.71Å; V149-I153 HydrophobicContact CG1-CG1 4.27Å; V149-I153 VanDerWaalsContact O-CG1 3.27Å; V149-I153 WeakPolarHBondContact O-CG1 3.39Å; V149-I153 PolarHBondContact O-N 2.85Å; A150-I153 PolarHBondContact O-N 3.45Å; N151-I153 VanDerWaalsContact C-N 3.28Å; N151-I153 PolarHBondContact O-N 3.07Å; I153-I155 HydrophobicContact CB-CD1 3.79Å; I153-I155 HydrophobicContact CB-CG1 4.13Å; I153-I155 HydrophobicContact CD1-CD1 4.26Å; I153-I155 HydrophobicContact CG2-CD1 3.54Å; I153-I155 HydrophobicContact CG2-CG1 3.78Å |
| 154 | G | 91.6 | Very high | 93.1 | Very high | 60 Ų | 60 | 64 Ų | 64 | 62% | 0.619 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | 39 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A150 N151 K152 | A150-G154 PolarHBondContact O-N 3.13Å; N151-G154 PolarHBondContact O-N 2.97Å; N151-G154 VanDerWaalsContact O-N 3.09Å; K152-G154 VanDerWaalsContact C-N 3.34Å |
| 155 | I | 90.4 | Very high | 92.9 | Very high | 30 Ų | 30 | 62.5 Ų | 62.5 | 15% | 0.154 | 34% | 0.343 | C | S | . | . | trans | -100.8 | -19.5 | -179.9 | -57.8 | 157.2 | 0 | 0 | 0 | 112.2 | P80 T82 M87 A150 I153 | P80-I155 HydrophobicContact CB-CD1 3.26Å; P80-I155 HydrophobicContact CB-CG1 3.88Å; P80-I155 HydrophobicContact CG-CD1 3.44Å; P80-I155 VanDerWaalsContact CG-CD1 3.44Å; P80-I155 HydrophobicContact CG-CG1 3.52Å; T82-I155 HydrophobicContact CG2-CG2 3.48Å; T82-I155 VanDerWaalsContact CG2-CG2 3.48Å; M87-I155 HydrophobicContact SD-CG2 4.31Å; A150-I155 PolarHBondContact O-N 3.17Å; I153-I155 HydrophobicContact CB-CD1 3.79Å; I153-I155 HydrophobicContact CB-CG1 4.13Å; I153-I155 HydrophobicContact CD1-CD1 4.26Å; I153-I155 HydrophobicContact CG2-CD1 3.54Å; I153-I155 HydrophobicContact CG2-CG1 3.78Å | ||
| 156 | I | 83.1 | Confident | 92.7 | Very high | 118 Ų | 118 | 61.3 Ų | 61.3 | 61% | 0.605 | 34% | 0.337 | S | S | * | . | trans | -117 | 0 | 177.3 | -76.7 | 170.2 | 0 | 0 | 0 | 108 | M87 L147 A150 N151 | M87-I156 HydrophobicContact CE-CD1 3.93Å; M87-I156 HydrophobicContact CE-CG1 3.29Å; L147-I156 HydrophobicContact CD2-CD1 3.86Å; A150-I156 HydrophobicContact CB-CD1 3.91Å; A150-I156 HydrophobicContact CB-CG1 4.43Å; N151-I156 VanDerWaalsContact OD1-CB 3.29Å; N151-I156 WeakPolarHBondContact OD1-CB 3.28Å; N151-I156 WeakPolarHBondContact OD1-CG2 3.21Å |
Retrieved 156 of 156 residues in 120.6 ms
(Link to these results)