| 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 | 51.9 | Low | 61.4 | Low | 196 Ų | 196 | 114.5 Ų | 114.5 | 97% | 0.966 | 60% | 0.6 | S | S | * | * | 0 | -23.5 | 0 | -69 | -145 | -88.9 | 0 | 0 | 113.3 | R3 V4 A5 | M1-R3 PolarHBondContact O-N 3.41Å; M1-V4 PolarHBondContact O-N 3.24Å; M1-A5 PolarHBondContact O-N 3.35Å | |||
| 2 | Q | 47.8 | Very low | 61.7 | Low | 168 Ų | 168 | 111.7 Ų | 111.7 | 79% | 0.785 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -58.6 | -39.7 | -177.6 | -150.3 | 154.5 | -8.8 | 0 | 0 | 115.4 | V4 A5 V6 | Q2-V4 VanDerWaalsContact C-N 3.32Å; Q2-V4 PolarHBondContact O-N 3.04Å; Q2-A5 PolarHBondContact O-N 3.4Å; Q2-V6 VanDerWaalsContact O-CG2 3.28Å; Q2-V6 WeakPolarHBondContact O-CG2 3.45Å; Q2-V6 PolarHBondContact O-N 2.82Å; Q2-V6 VanDerWaalsContact O-N 3.11Å |
| 3 | R | 53.1 | Low | 61.7 | Low | 222 Ų | 222 | 108.6 Ų | 108.6 | 84% | 0.838 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.4 | -27.5 | 178.6 | -66.9 | -173.1 | 177.7 | -174.5 | -0.6 | 114.1 | M1 L7 | M1-R3 PolarHBondContact O-N 3.41Å; R3-L7 PolarHBondContact O-N 3.11Å; R3-L7 VanDerWaalsContact O-N 3.15Å |
| 4 | V | 58.1 | Low | 61.4 | Low | 58 Ų | 58 | 104.3 Ų | 104.3 | 35% | 0.352 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -80.1 | -38.7 | 178.8 | -179.5 | 0 | 0 | 0 | 0 | 110.5 | M1 Q2 V6 L7 I8 | M1-V4 PolarHBondContact O-N 3.24Å; Q2-V4 VanDerWaalsContact C-N 3.32Å; Q2-V4 PolarHBondContact O-N 3.04Å; V4-V6 VanDerWaalsContact C-N 3.32Å; V4-V6 PolarHBondContact O-N 3Å; V4-L7 PolarHBondContact O-N 3.27Å; V4-I8 HydrophobicContact CG1-CD1 4.07Å; V4-I8 WeakPolarHBondContact O-CG1 3.47Å; V4-I8 PolarHBondContact O-N 3.38Å |
| 5 | A | 59.2 | Low | 60.9 | Low | 54 Ų | 54 | 103.5 Ų | 103.5 | 45% | 0.446 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62 | -40.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1 Q2 I8 L9 | M1-A5 PolarHBondContact O-N 3.35Å; Q2-A5 PolarHBondContact O-N 3.4Å; A5-I8 PolarHBondContact O-N 3.15Å; A5-L9 WeakPolarHBondContact O-CB 3.42Å; A5-L9 PolarHBondContact O-N 3.05Å |
| 6 | V | 69.8 | Low | 60.6 | Low | 87 Ų | 87 | 101.9 Ų | 101.9 | 53% | 0.527 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.4 | -40.8 | 175.4 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | Q2 V4 L9 V10 | Q2-V6 VanDerWaalsContact O-CG2 3.28Å; Q2-V6 WeakPolarHBondContact O-CG2 3.45Å; Q2-V6 PolarHBondContact O-N 2.82Å; Q2-V6 VanDerWaalsContact O-N 3.11Å; V4-V6 VanDerWaalsContact C-N 3.32Å; V4-V6 PolarHBondContact O-N 3Å; V6-L9 PolarHBondContact O-N 3.15Å; V6-V10 HydrophobicContact CG1-CG2 4.26Å; V6-V10 WeakPolarHBondContact O-CB 3.4Å; V6-V10 WeakPolarHBondContact O-CG2 3.31Å; V6-V10 PolarHBondContact O-N 2.74Å |
| 7 | L | 63.3 | Low | 60.1 | Low | 125 Ų | 125 | 99.1 Ų | 99.1 | 65% | 0.654 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.4 | -37.8 | 176 | -101.7 | 146.4 | 0 | 0 | 0 | 113.1 | R3 V4 A11 | R3-L7 PolarHBondContact O-N 3.11Å; R3-L7 VanDerWaalsContact O-N 3.15Å; V4-L7 PolarHBondContact O-N 3.27Å; L7-A11 VanDerWaalsContact O-CB 3.32Å; L7-A11 WeakPolarHBondContact O-CB 3.44Å; L7-A11 PolarHBondContact O-N 3.11Å |
| 8 | I | 66.4 | Low | 59.6 | Low | 94 Ų | 94 | 101 Ų | 101 | 48% | 0.482 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.9 | -40.8 | 175.3 | -67.7 | 170.5 | 0 | 0 | 0 | 110.6 | V4 A5 A11 C12 | V4-I8 HydrophobicContact CG1-CD1 4.07Å; V4-I8 WeakPolarHBondContact O-CG1 3.47Å; V4-I8 PolarHBondContact O-N 3.38Å; A5-I8 PolarHBondContact O-N 3.15Å; I8-A11 PolarHBondContact O-N 3.15Å; I8-C12 WeakPolarHBondContact O-CB 3.35Å; I8-C12 PolarHBondContact O-N 2.85Å |
| 9 | L | 66.1 | Low | 59.1 | Low | 118 Ų | 118 | 100.4 Ų | 100.4 | 62% | 0.618 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.4 | -41.4 | 176.4 | -125.1 | 121 | 0 | 0 | 0 | 111.8 | A5 V6 C12 C13 | A5-L9 WeakPolarHBondContact O-CB 3.42Å; A5-L9 PolarHBondContact O-N 3.05Å; V6-L9 PolarHBondContact O-N 3.15Å; L9-C12 PolarHBondContact O-N 2.89Å; L9-C13 WeakPolarHBondContact O-CB 3.43Å; L9-C13 PolarHBondContact O-N 3.47Å; L9-C13 PolarHBondContact O-SG 3.26Å; L9-C13 VanDerWaalsContact O-SG 3.39Å |
| 10 | V | 72.6 | Confident | 58.6 | Low | 90 Ų | 90 | 102.7 Ų | 102.7 | 55% | 0.545 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.2 | -38.9 | 176.9 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | V6 C13 A14 | V6-V10 HydrophobicContact CG1-CG2 4.26Å; V6-V10 WeakPolarHBondContact O-CB 3.4Å; V6-V10 WeakPolarHBondContact O-CG2 3.31Å; V6-V10 PolarHBondContact O-N 2.74Å; V10-C13 PolarHBondContact O-N 2.03Å; V10-A14 WeakPolarHBondContact O-CB 3.33Å; V10-A14 PolarHBondContact O-N 3.41Å |
| 11 | A | 67.1 | Low | 57.9 | Low | 47 Ų | 47 | 101.5 Ų | 101.5 | 39% | 0.388 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.5 | -41.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L7 I8 A14 L15 | L7-A11 VanDerWaalsContact O-CB 3.32Å; L7-A11 WeakPolarHBondContact O-CB 3.44Å; L7-A11 PolarHBondContact O-N 3.11Å; I8-A11 PolarHBondContact O-N 3.15Å; A11-A14 PolarHBondContact O-N 2.87Å; A11-L15 WeakPolarHBondContact O-CD1 3.32Å; A11-L15 PolarHBondContact O-N 3.14Å |
| 12 | C | 65.2 | Low | 57.4 | Low | 81 Ų | 81 | 101.1 Ų | 101.1 | 55% | 0.547 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.3 | -40.6 | 176.8 | -142.9 | 0 | 0 | 0 | 0 | 111.7 | I8 L9 L15 T16 | I8-C12 WeakPolarHBondContact O-CB 3.35Å; I8-C12 PolarHBondContact O-N 2.85Å; L9-C12 PolarHBondContact O-N 2.89Å; C12-L15 PolarHBondContact O-N 2.85Å; C12-T16 PolarHBondContact O-N 2.75Å; C12-T16 PolarHBondContact O-OG1 2.89Å |
| 13 | C | 60.9 | Low | 57.3 | Low | 72 Ų | 72 | 100.3 Ų | 100.3 | 49% | 0.486 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.3 | -33.1 | 174.1 | -74.3 | 0 | 0 | 0 | 0 | 113.4 | L9 V10 T16 A17 | L9-C13 WeakPolarHBondContact O-CB 3.43Å; L9-C13 PolarHBondContact O-N 3.47Å; L9-C13 PolarHBondContact O-SG 3.26Å; L9-C13 VanDerWaalsContact O-SG 3.39Å; V10-C13 PolarHBondContact O-N 2.03Å; C13-T16 WeakPolarHBondContact CA-OG1 3.02Å; C13-T16 PolarHBondContact O-OG1 2.8Å; C13-A17 WeakPolarHBondContact O-CB 2.94Å; C13-A17 PolarHBondContact O-N 2.95Å |
| 14 | A | 58.1 | Low | 57.1 | Low | 48 Ų | 48 | 95.5 Ų | 95.5 | 40% | 0.397 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.9 | -37 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | V10 A11 A17 L18 | V10-A14 WeakPolarHBondContact O-CB 3.33Å; V10-A14 PolarHBondContact O-N 3.41Å; A11-A14 PolarHBondContact O-N 2.87Å; A14-A17 PolarHBondContact O-N 2.82Å; A14-L18 WeakPolarHBondContact O-CD1 3.04Å; A14-L18 PolarHBondContact O-N 3.41Å |
| 15 | L | 54.4 | Low | 56.6 | Low | 93 Ų | 93 | 100.2 Ų | 100.2 | 49% | 0.487 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.1 | -37 | 174.8 | -90.3 | 142.3 | 0 | 0 | 0 | 112.5 | A11 C12 S19 V304 | A11-L15 WeakPolarHBondContact O-CD1 3.32Å; A11-L15 PolarHBondContact O-N 3.14Å; C12-L15 PolarHBondContact O-N 2.85Å; L15-S19 PolarHBondContact O-N 2.93Å; L15-S19 PolarHBondContact O-OG 2.83Å; L15-V304 HydrophobicContact CD1-CG1 4.47Å |
| 16 | T | 56.2 | Low | 55.5 | Low | 77 Ų | 77 | 106.5 Ų | 106.5 | 47% | 0.472 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -74.1 | -31.6 | 173.9 | 54.3 | 0 | 0 | 0 | 0 | 113 | C12 C13 S19 L20 | C12-T16 PolarHBondContact O-N 2.75Å; C12-T16 PolarHBondContact O-OG1 2.89Å; C13-T16 WeakPolarHBondContact CA-OG1 3.02Å; C13-T16 PolarHBondContact O-OG1 2.8Å; T16-S19 WeakPolarHBondContact CA-OG 3.3Å; T16-S19 PolarHBondContact O-N 3.12Å; T16-S19 PolarHBondContact O-OG 2.81Å; T16-L20 PolarHBondContact O-N 2.73Å |
| 17 | A | 51.9 | Low | 54.1 | Low | 54 Ų | 54 | 108.2 Ų | 108.2 | 45% | 0.446 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -70.3 | -36.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | C13 A14 S19 L20 A21 | C13-A17 WeakPolarHBondContact O-CB 2.94Å; C13-A17 PolarHBondContact O-N 2.95Å; A14-A17 PolarHBondContact O-N 2.82Å; A17-S19 VanDerWaalsContact C-N 3.32Å; A17-S19 PolarHBondContact O-N 3.14Å; A17-L20 PolarHBondContact O-N 2.93Å; A17-A21 PolarHBondContact O-N 3.4Å |
| 18 | L | 50.8 | Low | 52.7 | Low | 134 Ų | 134 | 110.6 Ų | 110.6 | 70% | 0.702 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70.2 | -25.8 | 175.2 | -94.2 | 92.5 | 0 | 0 | 0 | 113.4 | A14 L20 | A14-L18 WeakPolarHBondContact O-CD1 3.04Å; A14-L18 PolarHBondContact O-N 3.41Å; L18-L20 VanDerWaalsContact C-N 3.28Å |
| 19 | S | 50.6 | Low | 51.4 | Low | 89 Ų | 89 | 112.2 Ų | 112.2 | 62% | 0.622 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -72.7 | -19.5 | 170.8 | 50.2 | 0 | 0 | 0 | 0 | 113.8 | L15 T16 A17 | L15-S19 PolarHBondContact O-N 2.93Å; L15-S19 PolarHBondContact O-OG 2.83Å; T16-S19 WeakPolarHBondContact CA-OG 3.3Å; T16-S19 PolarHBondContact O-N 3.12Å; T16-S19 PolarHBondContact O-OG 2.81Å; A17-S19 VanDerWaalsContact C-N 3.32Å; A17-S19 PolarHBondContact O-N 3.14Å |
| 20 | L | 47.7 | Very low | 49.8 | Very low | 147 Ų | 147 | 110.5 Ų | 110.5 | 77% | 0.77 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -95.5 | -17.4 | 178.2 | -75.5 | 161.2 | 0 | 0 | 0 | 113.4 | T16 A17 L18 | T16-L20 PolarHBondContact O-N 2.73Å; A17-L20 PolarHBondContact O-N 2.93Å; L18-L20 VanDerWaalsContact C-N 3.28Å |
| 21 | A | 44.1 | Very low | 48.3 | Very low | 77 Ų | 77 | 111.8 Ų | 111.8 | 64% | 0.636 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 6.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | A17 | A17-A21 PolarHBondContact O-N 3.4Š|
| 22 | K | 43 | Very low | 46.8 | Very low | 188 Ų | 188 | 115.6 Ų | 115.6 | 82% | 0.817 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 12 | -178.5 | -149.2 | 161.7 | -174.9 | 164.4 | 0 | 115.1 | ||
| 23 | D | 45.8 | Very low | 45.6 | Very low | 152 Ų | 152 | 120.7 Ų | 120.7 | 81% | 0.813 | 70% | 0.697 | S | S | * | * | trans | -113.2 | 68.3 | 169 | -78 | -43.6 | 0 | 0 | 0 | 110.9 | ||||
| 24 | T | 48.3 | Very low | 44.6 | Very low | 121 Ų | 121 | 123.2 Ų | 123.2 | 74% | 0.742 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -152 | 122.1 | 153.2 | -27.7 | 0 | 0 | 0 | 0 | 109.1 | ||
| 25 | N | 46.5 | Very low | 43.8 | Very low | 156 Ų | 156 | 125.6 Ų | 125.6 | 83% | 0.834 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 83.9 | 73.6 | -177.7 | -59 | -36.8 | 0 | 0 | 0 | 117.1 | ||
| 26 | E | 36.9 | Very low | 43 | Very low | 187 Ų | 187 | 126.1 Ų | 126.1 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | -156.4 | 116.9 | 123.7 | -140.5 | 175.7 | 125.5 | 0 | 0 | 110 | K28 | E26-K28 PolarHBondContact O-N 2.95Å; E26-K28 VanDerWaalsContact O-N 3.12Å | |||
| 27 | S | 40.7 | Very low | 42.2 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | trans | -68.8 | 102.8 | -178.4 | -8.1 | 0 | 0 | 0 | 0 | 110.4 | P29 | S27-P29 WeakPolarHBondContact O-CD 3.47Š| ||
| 28 | K | 34 | Very low | 41.8 | Very low | 175 Ų | 175 | 129.4 Ų | 129.4 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | trans | -92.1 | 114.6 | 167.3 | -177.5 | -172.1 | -174.9 | -168.3 | 0 | 109.6 | E26 S30 | E26-K28 PolarHBondContact O-N 2.95Å; E26-K28 VanDerWaalsContact O-N 3.12Å; K28-S30 PolarHBondContact O-N 3Å | ||
| 29 | P | 38.2 | Very low | 41.3 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -85.5 | 107.4 | 158.1 | 30.2 | -25.5 | 0 | 0 | 0 | 108.5 | S27 | S27-P29 WeakPolarHBondContact O-CD 3.47Š| ||
| 30 | S | 32.1 | Very low | 40.8 | Very low | 81 Ų | 81 | 136.9 Ų | 136.9 | 57% | 0.566 | 80% | 0.795 | S | S | * | * | trans | -106.7 | 112.3 | 166 | -162.7 | 0 | 0 | 0 | 0 | 108 | K28 T32 | K28-S30 PolarHBondContact O-N 3Å; S30-T32 PolarHBondContact O-N 2.7Å | ||
| 31 | S | 42.6 | Very low | 40.3 | Very low | 117 Ų | 117 | 137 Ų | 137 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -72.4 | 112.4 | 172.6 | 49.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 32 | T | 35.6 | Very low | 40 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -140.1 | 107.4 | 159 | -54.8 | 0 | 0 | 0 | 0 | 108.5 | S30 | S30-T32 PolarHBondContact O-N 2.7Š| ||
| 33 | M | 39.8 | Very low | 39.8 | Very low | 188 Ų | 188 | 135.4 Ų | 135.4 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | trans | -74.1 | 136.8 | 166.3 | -79.1 | -85.8 | -120.9 | 0 | 0 | 109.4 | ||||
| 34 | S | 39.2 | Very low | 40.3 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -141.1 | 143.5 | 155.8 | -159 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 35 | S | 41.8 | Very low | 40.3 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | trans | -90.7 | 154.6 | -155.4 | -60.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 36 | A | 38.2 | Very low | 40.2 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | 64.5 | 113.3 | 141.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 37 | A | 39.2 | Very low | 40.6 | Very low | 99 Ų | 99 | 132.8 Ų | 132.8 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | -157.2 | 132.4 | 126.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 38 | S | 42.7 | Very low | 40.6 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | -73.5 | 136.3 | 175.8 | 144 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 39 | F | 40.6 | Very low | 40.7 | Very low | 205 Ų | 205 | 132.7 Ų | 132.7 | 90% | 0.899 | 80% | 0.799 | S | S | * | * | trans | -148.6 | 121.7 | 144.5 | -82.9 | -74 | 0 | 0 | 0 | 110.6 | ||||
| 40 | Q | 39.6 | Very low | 40.6 | Very low | 176 Ų | 176 | 133.6 Ų | 133.6 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -74.1 | 134.4 | 157.2 | -67 | 173.6 | -18.8 | 0 | 0 | 107.6 | ||||
| 41 | D | 37.9 | Very low | 40.7 | Very low | 148 Ų | 148 | 134.8 Ų | 134.8 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | -176.1 | 120.8 | 124.8 | -112.2 | -37.1 | 0 | 0 | 0 | 113.8 | |||||
| 42 | T | 36.7 | Very low | 40.3 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 77% | 0.767 | 80% | 0.8 | S | S | * | * | trans | 16 | 123.8 | 131.1 | -24.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 43 | S | 40.1 | Very low | 40.5 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | 133.6 | 133.7 | 137.4 | -172.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 44 | P | 55.5 | Low | 41 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | -99.8 | 155.2 | 178.1 | 37.5 | -30.2 | 0 | 0 | 0 | 113.1 | ||||
| 45 | P | 49.6 | Very low | 41.1 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | trans | -111.7 | 140.3 | 157.2 | 20.5 | -2.3 | 0 | 0 | 0 | 114 | ||||
| 46 | K | 42.8 | Very low | 41.4 | Very low | 196 Ų | 196 | 135 Ų | 135 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | trans | -58.8 | 161.2 | 178.3 | -174.6 | 173.3 | 178.5 | -174.4 | 0 | 114.1 | ||||
| 47 | P | 45.4 | Very low | 41.7 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | trans | -87.8 | 152.6 | -167.7 | 33.9 | -31.7 | 0 | 0 | 0 | 113.7 | ||||
| 48 | L | 41 | Very low | 41.8 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | -111.2 | 132 | 170 | -114.8 | 74 | 0 | 0 | 0 | 111.3 | ||||
| 49 | T | 36.4 | Very low | 41.8 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -80.4 | 174.1 | 177.4 | 19 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 50 | N | 36.2 | Very low | 42.3 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | 87.5 | 131.7 | 157.4 | -76.3 | 8.8 | 0 | 0 | 0 | 116.6 | ||||
| 51 | T | 33.3 | Very low | 42.4 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 66% | 0.656 | 77% | 0.769 | S | S | * | * | cis | -167.2 | 154.3 | 4.2 | -43.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 52 | T | 34.2 | Very low | 42.6 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 65.1 | 116 | 145.8 | 41.1 | 0 | 0 | 0 | 0 | 124 | ||||
| 53 | T | 39.9 | Very low | 42.9 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | trans | -50.8 | 160.9 | 156.6 | -15.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 54 | P | 50.4 | Low | 43.5 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | -138.6 | 147.2 | 73.3 | 29.4 | -8.6 | 0 | 0 | 0 | 117.2 | |||||
| 55 | K | 41.5 | Very low | 42.9 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 65% | 0.648 | 77% | 0.765 | S | S | * | * | trans | -35.7 | 150.2 | 164 | -173.8 | 179.1 | -178.6 | -173.6 | 0 | 115.9 | T57 | K55-T57 HydrophobicContact CD-CG2 4.43Å; K55-T57 WeakPolarHBondContact CE-OG1 3.17Å | ||
| 56 | P | 48.3 | Very low | 42.8 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | -128.6 | 137.4 | 110.4 | 4.9 | 16.4 | 0 | 0 | 0 | 114.1 | |||||
| 57 | T | 43.5 | Very low | 42.8 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 59% | 0.589 | 76% | 0.76 | S | S | * | * | trans | -75.8 | 136.5 | 167.8 | 19.9 | 0 | 0 | 0 | 0 | 112.2 | K55 | K55-T57 HydrophobicContact CD-CG2 4.43Å; K55-T57 WeakPolarHBondContact CE-OG1 3.17Å | ||
| 58 | T | 43 | Very low | 43.1 | Very low | 143 Ų | 143 | 134 Ų | 134 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | trans | -152.9 | 103.1 | 138 | 32.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 59 | K | 42 | Very low | 43.3 | Very low | 171 Ų | 171 | 130.1 Ų | 130.1 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | trans | 27 | 123.3 | 143.3 | -161.6 | 176.1 | -177.4 | -177.7 | 0 | 120.9 | ||||
| 60 | P | 50.8 | Low | 43.7 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | trans | -97.6 | 127.5 | 158.3 | 33.4 | -23.6 | 0 | 0 | 0 | 111.3 | ||||
| 61 | T | 40.9 | Very low | 44.1 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 63% | 0.632 | 75% | 0.749 | S | S | * | * | trans | -157.6 | 114.2 | 164 | 32.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 62 | T | 43.2 | Very low | 45.1 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | -177.3 | 98.5 | 124.6 | 27.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 63 | K | 43.9 | Very low | 45.6 | Very low | 165 Ų | 165 | 130.7 Ų | 130.7 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | trans | 38.5 | 119.1 | 133 | -160 | -179.6 | -170.5 | -171.9 | 0 | 120.4 | T65 | K63-T65 HydrophobicContact CD-CG2 4.39Å; K63-T65 WeakPolarHBondContact CE-OG1 3.27Å; K63-T65 HydrophobicContact CG-CG2 4.16Å | ||
| 64 | P | 51.6 | Low | 45.8 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | trans | -92.7 | 120.9 | 150.6 | 32.2 | -22.9 | 0 | 0 | 0 | 110.2 | ||||
| 65 | T | 43.3 | Very low | 45.5 | Very low | 90 Ų | 90 | 133.2 Ų | 133.2 | 55% | 0.552 | 75% | 0.745 | S | S | * | * | trans | -147.1 | 115.2 | 163.9 | 39.5 | 0 | 0 | 0 | 0 | 110.4 | K63 | K63-T65 HydrophobicContact CD-CG2 4.39Å; K63-T65 WeakPolarHBondContact CE-OG1 3.27Å; K63-T65 HydrophobicContact CG-CG2 4.16Å | ||
| 66 | T | 46.3 | Very low | 46 | Very low | 144 Ų | 144 | 132.4 Ų | 132.4 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | -172.9 | 99.6 | 123.4 | 25 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 67 | K | 44.6 | Very low | 45.9 | Very low | 164 Ų | 164 | 130.4 Ų | 130.4 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | trans | 15.8 | 128 | 138.2 | -162.5 | 179.8 | -169.5 | -173.1 | 0 | 119.3 | T69 | K67-T69 HydrophobicContact CD-CG2 4.22Å; K67-T69 HydrophobicContact CG-CG2 4.3Å | ||
| 68 | P | 51.3 | Low | 46 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | trans | -88.4 | 123.1 | 153.5 | 30.5 | -21.2 | 0 | 0 | 0 | 110.5 | ||||
| 69 | T | 45.6 | Very low | 46.1 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 56% | 0.564 | 74% | 0.742 | S | S | * | * | trans | -139.6 | 117.9 | 164.2 | 26.2 | 0 | 0 | 0 | 0 | 104.7 | K67 | K67-T69 HydrophobicContact CD-CG2 4.22Å; K67-T69 HydrophobicContact CG-CG2 4.3Å | ||
| 70 | T | 43.7 | Very low | 46.7 | Very low | 133 Ų | 133 | 131.1 Ų | 131.1 | 82% | 0.816 | 75% | 0.747 | S | S | * | * | -172.7 | 138.1 | 69 | 35 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 71 | K | 44.7 | Very low | 46.4 | Very low | 167 Ų | 167 | 129.9 Ų | 129.9 | 73% | 0.726 | 74% | 0.737 | S | S | * | * | trans | 43.7 | 120.6 | 137.2 | -158.5 | 173.2 | -177.8 | 179.5 | 0 | 121 | T73 | K71-T73 HydrophobicContact CD-CG2 4.49Å; K71-T73 HydrophobicContact CG-CG2 4.35Å | ||
| 72 | P | 53.4 | Low | 46.7 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | trans | -88.2 | 119.9 | 158.8 | 32.4 | -24.7 | 0 | 0 | 0 | 110.4 | ||||
| 73 | T | 44.5 | Very low | 46.8 | Very low | 93 Ų | 93 | 132.1 Ų | 132.1 | 57% | 0.571 | 74% | 0.737 | S | S | * | * | trans | -151.2 | 112 | 164.3 | 35.1 | 0 | 0 | 0 | 0 | 108.3 | K71 | K71-T73 HydrophobicContact CD-CG2 4.49Å; K71-T73 HydrophobicContact CG-CG2 4.35Å | ||
| 74 | T | 44.3 | Very low | 47.3 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | 177.3 | 120.8 | 100.2 | 39 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 75 | K | 44.4 | Very low | 47.1 | Very low | 166 Ų | 166 | 128.9 Ų | 128.9 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | trans | 64 | 117.8 | 133.2 | -152.5 | 179.1 | -169 | -176.5 | 0 | 120.5 | T77 | K75-T77 HydrophobicContact CD-CG2 3.96Å; K75-T77 HydrophobicContact CG-CG2 4.09Å | ||
| 76 | P | 53.5 | Low | 47.3 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 85% | 0.851 | 75% | 0.748 | S | S | * | * | trans | -86 | 123.8 | 155.2 | 32 | -24.6 | 0 | 0 | 0 | 110.5 | ||||
| 77 | T | 46.1 | Very low | 47.3 | Very low | 91 Ų | 91 | 132.7 Ų | 132.7 | 56% | 0.558 | 74% | 0.741 | S | S | * | * | trans | -141 | 131.6 | 167.5 | 34.7 | 0 | 0 | 0 | 0 | 104.5 | K75 | K75-T77 HydrophobicContact CD-CG2 3.96Å; K75-T77 HydrophobicContact CG-CG2 4.09Å | ||
| 78 | T | 44.8 | Very low | 47.7 | Very low | 127 Ų | 127 | 131 Ų | 131 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | cis | -171.2 | 142.8 | 22 | 11.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 79 | K | 45.4 | Very low | 47.5 | Very low | 168 Ų | 168 | 129.3 Ų | 129.3 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | trans | 58.3 | 122.2 | 142.6 | -155.4 | 177.3 | -171.2 | -177.6 | 0 | 120.8 | T81 | K79-T81 HydrophobicContact CD-CG2 4.09Å; K79-T81 HydrophobicContact CG-CG2 4.19Å | ||
| 80 | P | 54.8 | Low | 47.4 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | trans | -86.1 | 123.7 | 158.7 | 32.7 | -26.5 | 0 | 0 | 0 | 110.8 | ||||
| 81 | T | 44.8 | Very low | 47.5 | Very low | 98 Ų | 98 | 134 Ų | 134 | 60% | 0.601 | 75% | 0.746 | S | S | * | * | trans | -147.7 | 123.7 | 168.6 | 35.7 | 0 | 0 | 0 | 0 | 104.1 | K79 | K79-T81 HydrophobicContact CD-CG2 4.09Å; K79-T81 HydrophobicContact CG-CG2 4.19Å | ||
| 82 | T | 45.8 | Very low | 47.9 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | cis | -164 | 138 | 44.5 | 40.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 83 | K | 46.1 | Very low | 47.4 | Very low | 163 Ų | 163 | 131.2 Ų | 131.2 | 71% | 0.709 | 74% | 0.744 | S | S | * | * | trans | 42.4 | 118.4 | 134.7 | -155.8 | -179.7 | -167.2 | -175.5 | 0 | 120 | T85 | K83-T85 HydrophobicContact CD-CG2 3.95Å; K83-T85 HydrophobicContact CG-CG2 4.1Å | ||
| 84 | P | 54.2 | Low | 47.3 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | trans | -81 | 118.7 | 156 | 31.7 | -26.1 | 0 | 0 | 0 | 109.4 | ||||
| 85 | T | 46.5 | Very low | 47.1 | Very low | 93 Ų | 93 | 136.1 Ų | 136.1 | 57% | 0.571 | 76% | 0.757 | S | S | * | * | trans | -133.7 | 106.9 | 165.5 | 28.4 | 0 | 0 | 0 | 0 | 108.7 | K83 | K83-T85 HydrophobicContact CD-CG2 3.95Å; K83-T85 HydrophobicContact CG-CG2 4.1Å | ||
| 86 | T | 47.5 | Very low | 47.7 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | -167.6 | 119.9 | 120.2 | 22.2 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 87 | K | 46.1 | Very low | 47.1 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 73% | 0.73 | 75% | 0.752 | S | S | * | * | trans | -36.5 | 142.7 | 168 | -173.9 | -177 | -173.4 | -177.2 | 0 | 115.7 | T89 | K87-T89 HydrophobicContact CD-CG2 4.04Å; K87-T89 HydrophobicContact CG-CG2 4.18Å | ||
| 88 | P | 55 | Low | 46.8 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | trans | -83.4 | 124.1 | 160.9 | 32.4 | -28.1 | 0 | 0 | 0 | 110.3 | ||||
| 89 | T | 46.3 | Very low | 46.9 | Very low | 97 Ų | 97 | 138.8 Ų | 138.8 | 60% | 0.595 | 77% | 0.77 | S | S | * | * | trans | -140.2 | 122.6 | 166.2 | 36.2 | 0 | 0 | 0 | 0 | 104.3 | K87 | K87-T89 HydrophobicContact CD-CG2 4.04Å; K87-T89 HydrophobicContact CG-CG2 4.18Å | ||
| 90 | T | 44.2 | Very low | 47.4 | Very low | 137 Ų | 137 | 135.3 Ų | 135.3 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | -159.4 | 138.1 | 56.2 | 40 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 91 | K | 44.5 | Very low | 46.7 | Very low | 185 Ų | 185 | 135.3 Ų | 135.3 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | 13.5 | 138.8 | 145 | -157.7 | 175.5 | -179.2 | -178.4 | 0 | 121.5 | ||||
| 92 | P | 52.9 | Low | 46.6 | Very low | 117 Ų | 117 | 137 Ų | 137 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | trans | -85.2 | 143.9 | 170.3 | 34.9 | -32.3 | 0 | 0 | 0 | 113 | ||||
| 93 | T | 44.2 | Very low | 46.4 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | trans | -145 | 130.7 | 164.8 | 36.9 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 94 | T | 40.9 | Very low | 46.9 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | cis | -163.7 | 147.7 | 14.6 | 18.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 95 | K | 41.6 | Very low | 46.2 | Very low | 193 Ų | 193 | 137.8 Ų | 137.8 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | -103.2 | -175.9 | 166.4 | -156.3 | -155.4 | 170.1 | 177.2 | 0 | 107.5 | ||||
| 96 | P | 55.8 | Low | 45.9 | Very low | 95 Ų | 95 | 139.7 Ų | 139.7 | 62% | 0.617 | 79% | 0.786 | S | S | * | * | -110.9 | 168.7 | -66.7 | 25.2 | -8 | 0 | 0 | 0 | 112.6 | |||||
| 97 | T | 41.8 | Very low | 45.8 | Very low | 139 Ų | 139 | 142 Ų | 142 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -173.2 | 128.1 | 147.3 | 15 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 98 | T | 40.5 | Very low | 46.1 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | cis | -157.6 | 153 | 27.8 | 31.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 99 | K | 45.3 | Very low | 45.6 | Very low | 200 Ų | 200 | 139.6 Ų | 139.6 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | trans | -115.6 | -179.8 | 167.2 | -156.2 | -152 | 171.2 | -178.9 | 0 | 106.8 | ||||
| 100 | P | 56 | Low | 45.5 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 62% | 0.617 | 79% | 0.793 | S | S | * | * | -116.3 | 160.8 | -68.7 | 29.4 | -14.1 | 0 | 0 | 0 | 113.4 | |||||
| 101 | T | 41.3 | Very low | 45.5 | Very low | 130 Ų | 130 | 143.9 Ų | 143.9 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | trans | -160.4 | 136.4 | 151.9 | 37.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 102 | T | 42.2 | Very low | 45.8 | Very low | 132 Ų | 132 | 140.7 Ų | 140.7 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | cis | -169 | 144.5 | 10.2 | 12.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 103 | K | 42.1 | Very low | 45.4 | Very low | 198 Ų | 198 | 141.4 Ų | 141.4 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | 15.7 | 145.4 | 155.9 | -153.4 | 168 | -179.3 | -176 | 0 | 123 | ||||
| 104 | P | 55.5 | Low | 45.7 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | trans | -94.6 | 158.1 | -173 | 38.7 | -34.1 | 0 | 0 | 0 | 114.4 | ||||
| 105 | T | 40.6 | Very low | 46 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -176.4 | 134.6 | 165.3 | 16.4 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 106 | T | 39.8 | Very low | 46.4 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 82% | 0.816 | 79% | 0.791 | S | S | * | * | cis | -164.6 | 142.9 | 23.3 | 30.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 107 | K | 44.7 | Very low | 45.8 | Very low | 197 Ų | 197 | 142.5 Ų | 142.5 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | trans | -106.2 | 167 | 148.9 | -142.8 | -158.3 | 167.6 | 179.1 | 0 | 105.5 | ||||
| 108 | P | 52.7 | Low | 46.1 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 62% | 0.617 | 79% | 0.793 | S | S | * | * | cis | -135.6 | 165 | -5.6 | 38.6 | -21.3 | 0 | 0 | 0 | 114.9 | ||||
| 109 | T | 43.9 | Very low | 46.8 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 91% | 0.914 | 79% | 0.787 | S | S | * | * | trans | -146.9 | 125.4 | 149.7 | 13.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 110 | T | 45.2 | Very low | 46.8 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 83% | 0.828 | 78% | 0.784 | S | S | * | * | trans | -73 | 139.6 | 174.8 | 38.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 111 | K | 44.9 | Very low | 46.5 | Very low | 190 Ų | 190 | 138.4 Ų | 138.4 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -144.5 | 123.5 | 144.1 | -166.2 | 174 | -178 | -179.4 | 0 | 110.1 | ||||
| 112 | P | 50.5 | Low | 47 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74 | 125.9 | 171.9 | -7.1 | 23.5 | 0 | 0 | 0 | 109.4 | ||
| 113 | T | 44 | Very low | 47.3 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 119.2 | 164.7 | -44.8 | 0 | 0 | 0 | 0 | 107.8 | ||
| 114 | T | 49.7 | Very low | 47.8 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 140.4 | 176.8 | 33.2 | 0 | 0 | 0 | 0 | 111.8 | K116 | T114-K116 PolarHBondContact O-N 2.98Š|
| 115 | P | 48.2 | Very low | 47.2 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | trans | -72.1 | 113.2 | 170.2 | 8.4 | 2.1 | 0 | 0 | 0 | 109.3 | T117 | P115-T117 PolarHBondContact O-N 3.25Å; P115-T117 VanDerWaalsContact O-N 3.15Å | ||
| 116 | K | 49.9 | Very low | 47.2 | Very low | 193 Ų | 193 | 134.4 Ų | 134.4 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | -71.7 | 103.3 | 166.5 | -174 | 176.8 | -179.5 | 179.6 | 0 | 107.8 | T114 T118 | T114-K116 PolarHBondContact O-N 2.98Å; K116-T118 PolarHBondContact O-N 3.14Å | ||
| 117 | T | 43.2 | Very low | 47.7 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | trans | -54.8 | 106 | 168.9 | -26.5 | 0 | 0 | 0 | 0 | 108.3 | P115 | P115-T117 PolarHBondContact O-N 3.25Å; P115-T117 VanDerWaalsContact O-N 3.15Å | ||
| 118 | T | 48.4 | Very low | 47.9 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -82.5 | 130.2 | 168.8 | -52.6 | 0 | 0 | 0 | 0 | 106.3 | K116 T120 | K116-T118 PolarHBondContact O-N 3.14Å; T118-T120 PolarHBondContact O-N 3.26Å | ||
| 119 | P | 54.2 | Low | 48.1 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | trans | -60.5 | 127.9 | -179.8 | 22.9 | -31 | 0 | 0 | 0 | 109.8 | V121 | P119-V121 PolarHBondContact O-N 3.48Š| ||
| 120 | T | 45.9 | Very low | 49.4 | Very low | 130 Ų | 130 | 128.6 Ų | 128.6 | 80% | 0.798 | 75% | 0.753 | S | S | * | * | trans | -48.5 | 105.4 | 170 | -50.5 | 0 | 0 | 0 | 0 | 109.1 | T118 V122 | T118-T120 PolarHBondContact O-N 3.26Å; T120-V122 PolarHBondContact O-N 2.77Å | ||
| 121 | V | 50.1 | Low | 51.5 | Low | 129 Ų | 129 | 124.2 Ų | 124.2 | 78% | 0.782 | 72% | 0.724 | S | S | * | * | trans | -62 | 109 | 162.3 | 177.4 | 0 | 0 | 0 | 0 | 105.4 | P119 | P119-V121 PolarHBondContact O-N 3.48Š| ||
| 122 | V | 51.3 | Low | 53.8 | Low | 115 Ų | 115 | 118.7 Ų | 118.7 | 70% | 0.697 | 71% | 0.706 | S | S | * | * | trans | -48.6 | 127.4 | 166.4 | -179.5 | 0 | 0 | 0 | 0 | 106.4 | T120 Q124 | T120-V122 PolarHBondContact O-N 2.77Å; V122-Q124 VanDerWaalsContact C-N 3.34Å; V122-Q124 PolarHBondContact O-N 3.02Å | ||
| 123 | P | 48.1 | Very low | 56 | Low | 112 Ų | 112 | 116.5 Ų | 116.5 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | trans | -59.7 | 103.8 | 176.1 | 22.7 | -30.4 | 0 | 0 | 0 | 107.9 | ||||
| 124 | Q | 52.3 | Low | 58.5 | Low | 166 Ų | 166 | 110.3 Ų | 110.3 | 78% | 0.776 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 137.5 | 161.6 | -178.3 | 176.5 | -18.2 | 0 | 0 | 107.1 | V122 T126 | V122-Q124 VanDerWaalsContact C-N 3.34Å; V122-Q124 PolarHBondContact O-N 3.02Å; Q124-T126 PolarHBondContact O-N 2.91Å |
| 125 | P | 43 | Very low | 60.7 | Low | 115 Ų | 115 | 110 Ų | 110 | 75% | 0.747 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -50 | 116.1 | -179.8 | 18.2 | -31.1 | 0 | 0 | 0 | 108.9 | ||
| 126 | T | 40.4 | Very low | 63 | Low | 113 Ų | 113 | 104.5 Ų | 104.5 | 69% | 0.693 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 125.5 | 173.8 | -47.6 | 0 | 0 | 0 | 0 | 106.8 | Q124 | Q124-T126 PolarHBondContact O-N 2.91Š|
| 127 | P | 50.5 | Low | 65.2 | Low | 99 Ų | 99 | 99.1 Ų | 99.1 | 64% | 0.643 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 151.2 | 176.1 | 20.6 | -30.4 | 0 | 0 | 0 | 109.2 | T129 | P127-T129 PolarHBondContact O-N 3.01Š|
| 128 | P | 49 | Very low | 67.6 | Low | 126 Ų | 126 | 93.3 Ų | 93.3 | 82% | 0.818 | 55% | 0.55 | S | S | * | . | trans | -50 | 113.7 | -178.7 | 21.5 | -32.2 | 0 | 0 | 0 | 108.1 | N130 | P128-N130 PolarHBondContact O-N 2.77Š| ||
| 129 | T | 57.9 | Low | 69.7 | Low | 94 Ų | 94 | 92.4 Ų | 92.4 | 58% | 0.577 | 54% | 0.544 | S | S | * | . | trans | -53.6 | 107.9 | -176.4 | -54 | 0 | 0 | 0 | 0 | 107.7 | P127 L131 I167 | P127-T129 PolarHBondContact O-N 3.01Å; T129-L131 PolarHBondContact O-N 2.85Å; T129-I167 HydrophobicContact CG2-CD1 3.45Å; T129-I167 VanDerWaalsContact CG2-CD1 3.45Å | ||
| 130 | N | 69.9 | Low | 71.1 | Confident | 132 Ų | 132 | 92.2 Ų | 92.2 | 71% | 0.706 | 53% | 0.532 | S | S | * | . | trans | -64.2 | 110.9 | -166.2 | -168.3 | -4.6 | 0 | 0 | 0 | 109.7 | P128 T132 | P128-N130 PolarHBondContact O-N 2.77Å; N130-T132 PolarHBondContact O-N 2.84Å; N130-T132 VanDerWaalsContact O-N 3.09Å; N130-T132 PolarHBondContact O-OG1 2.88Å | ||
| 131 | L | 90.3 | Very high | 72.4 | Confident | 43 Ų | 43 | 92.5 Ų | 92.5 | 23% | 0.225 | 53% | 0.528 | C | S | . | . | trans | -70.2 | 103.6 | 177.9 | -179.1 | 57.6 | 0 | 0 | 0 | 107.6 | T129 A152 K154 I167 | T129-L131 PolarHBondContact O-N 2.85Å; L131-A152 HydrophobicContact CD1-CB 3.83Å; L131-A152 HydrophobicContact CD2-CB 4.23Å; L131-A152 HydrophobicContact CG-CB 3.55Å; L131-K154 HydrophobicContact CD1-CB 4.34Å; L131-K154 HydrophobicContact CD2-CD 4.29Å; L131-I167 HydrophobicContact CD1-CG2 4.03Å | ||
| 132 | T | 93.9 | Very high | 73.7 | Confident | 74 Ų | 74 | 96.3 Ų | 96.3 | 45% | 0.454 | 53% | 0.534 | S | S | . | . | trans | -94.3 | 133.4 | -170.3 | -52.4 | 0 | 0 | 0 | 0 | 111.2 | N130 A152 P170 | N130-T132 PolarHBondContact O-N 2.84Å; N130-T132 VanDerWaalsContact O-N 3.09Å; N130-T132 PolarHBondContact O-OG1 2.88Å; T132-A152 WeakPolarHBondContact O-CB 3.49Å; T132-P170 HydrophobicContact CG2-CG 4.3Å; T132-P170 WeakPolarHBondContact O-CG 3.35Å | ||
| 133 | E | 95.7 | Very high | 75.1 | Confident | 73 Ų | 73 | 93 Ų | 93 | 34% | 0.341 | 52% | 0.523 | S | S | . | . | trans | -70.9 | 130.4 | 174.2 | -70.7 | 172.9 | -150.8 | 0 | 0 | 111.5 | Q150 A152 N266 | E133-Q150 PolarHBondContact OE2-NE2 2.79Å; E133-A152 HydrophobicContact CG-CB 4.15Å; E133-N266 HydrophobicContact CG-CB 3.94Å; E133-N266 WeakPolarHBondContact OE1-CB 3.49Å; E133-N266 VanDerWaalsContact OE1-CG 3.28Å; E133-N266 PolarHBondContact OE1-ND2 2.94Å | ||
| 134 | G | 96.5 | Very high | 76.9 | Confident | 1 Ų | 1 | 91.4 Ų | 91.4 | 1% | 0.01 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 145.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q150 M151 P170 | G134-Q150 VanDerWaalsContact O-CA 3.28Å; G134-Q150 WeakPolarHBondContact O-CA 3.19Å; G134-M151 PolarHBondContact N-O 2.78Å; G134-M151 PolarHBondContact O-N 2.82Å; G134-P170 VanDerWaalsContact CA-CB 3.49Å; G134-P170 VanDerWaalsContact CA-CG 3.47Å |
| 135 | N | 96.8 | Very high | 78.8 | Confident | 115 Ų | 115 | 84 Ų | 84 | 62% | 0.615 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 116.2 | 173.4 | -65.7 | -44.8 | 0 | 0 | 0 | 109.3 | Q150 | N135-Q150 VanDerWaalsContact OD1-CG 3.32Å; N135-Q150 WeakPolarHBondContact OD1-CG 3.15Å |
| 136 | Y | 96.4 | Very high | 81.2 | Confident | 8 Ų | 8 | 78.9 Ų | 78.9 | 3% | 0.031 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 116.6 | -174.2 | -49.5 | -71.4 | 0 | 0 | 0 | 109.5 | M148 A149 M151 T173 A175 L188 | Y136-M148 CarbonylContact O-C 3.43Å; Y136-A149 HydrophobicContact CD2-CB 4.39Å; Y136-A149 WeakPolarHBondContact CD2-O 3.32Å; Y136-A149 PolarHBondContact N-O 2.85Å; Y136-A149 PolarHBondContact O-N 3.26Å; Y136-M151 HydrophobicContact CD2-CG 4.34Å; Y136-M151 HydrophobicContact CE2-CG 4.17Å; Y136-T173 HydrophobicContact CE1-CG2 4Å; Y136-A175 HydrophobicContact CD1-CB 4.06Å; Y136-A175 HydrophobicContact CG-CB 4.43Å; Y136-L188 HydrophobicContact CD1-CD1 4.49Å; Y136-L188 HydrophobicContact CD1-CD2 3.54Å; Y136-L188 HydrophobicContact CD2-CD1 4.1Å; Y136-L188 HydrophobicContact CD2-CD2 4.17Å; Y136-L188 HydrophobicContact CE1-CD1 4.29Å; Y136-L188 HydrophobicContact CE1-CD2 3.97Å; Y136-L188 HydrophobicContact CE2-CD1 3.89Å; Y136-L188 HydrophobicContact CG-CD1 4.39Å; Y136-L188 HydrophobicContact CG-CD2 3.63Å |
| 137 | N | 95.1 | Very high | 83.9 | Confident | 79 Ų | 79 | 73.6 Ų | 73.6 | 42% | 0.422 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 137.5 | -177.6 | -63.3 | -14.3 | 0 | 0 | 0 | 110 | V145 L147 | N137-V145 HydrophobicContact CB-CG1 4.47Å; N137-L147 CarbonylContact C-O 3.55Å; N137-L147 WeakPolarHBondContact CA-O 3.19Å |
| 138 | L | 94.6 | Very high | 86 | Confident | 11 Ų | 11 | 69.7 Ų | 69.7 | 6% | 0.058 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 131 | 169.3 | -57.3 | 179.9 | 0 | 0 | 0 | 109.1 | V145 C146 L147 A175 S176 N185 L186 | L138-V145 CarbonylContact O-C 3.53Å; L138-V145 WeakPolarHBondContact O-CA 3.15Å; L138-C146 PolarHBondContact O-N 2.78Å; L138-C146 PolarHBondContact O-SG 2.78Å; L138-C146 VanDerWaalsContact O-SG 3.41Å; L138-L147 HydrophobicContact CB-CB 4.1Å; L138-L147 HydrophobicContact CD1-CB 4.14Å; L138-L147 HydrophobicContact CD1-CD1 4.31Å; L138-L147 HydrophobicContact CG-CB 4.28Å; L138-L147 PolarHBondContact N-O 3.3Å; L138-L147 PolarHBondContact O-N 3.32Å; L138-A175 HydrophobicContact CD2-CB 4.49Å; L138-S176 VanDerWaalsContact CD2-C 3.46Å; L138-N185 WeakPolarHBondContact CD1-O 3.37Å; L138-L186 HydrophobicContact CD1-CB 4.22Å; L138-L186 HydrophobicContact CD1-CD1 3.96Å; L138-L186 HydrophobicContact CD2-CD1 3.93Å; L138-L186 HydrophobicContact CG-CD1 3.92Å |
| 139 | T | 91.6 | Very high | 88.3 | Confident | 95 Ų | 95 | 63.8 Ų | 63.8 | 58% | 0.583 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 144.2 | 176.6 | 52.1 | 0 | 0 | 0 | 0 | 110 | V144 V145 | T139-V144 WeakPolarHBondContact CA-O 3.5Å; T139-V145 HydrophobicContact CG2-CG2 3.89Å |
| 140 | K | 83.3 | Confident | 90.2 | Very high | 107 Ų | 107 | 62 Ų | 62 | 47% | 0.465 | 33% | 0.332 | S | S | . | . | trans | -96.3 | 171.2 | 170 | -166.1 | 168.9 | -179.4 | 174.3 | 0 | 109.5 | K142 G143 V144 C146 | K140-K142 PolarHBondContact O-N 2.96Å; K140-G143 PolarHBondContact O-N 3.45Å; K140-V144 PolarHBondContact N-O 2.98Å; K140-C146 HydrophobicContact CB-CB 4.37Å | ||
| 141 | D | 74.3 | Confident | 91.5 | Very high | 136 Ų | 136 | 55.7 Ų | 55.7 | 73% | 0.727 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.3 | 136 | 170.5 | -54.5 | -48.1 | 0 | 0 | 0 | 111.1 | ||
| 142 | K | 77.1 | Confident | 91.8 | Very high | 208 Ų | 208 | 53.7 Ų | 53.7 | 90% | 0.904 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 16 | -174.8 | -45.8 | 175.5 | -179.2 | -179.9 | 0 | 115.6 | K140 V144 | K140-K142 PolarHBondContact O-N 2.96Å; K142-V144 VanDerWaalsContact C-N 3.29Å; K142-V144 PolarHBondContact O-N 2.94Å |
| 143 | G | 80.3 | Confident | 92 | Very high | 45 Ų | 45 | 50.2 Ų | 50.2 | 46% | 0.464 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 76.5 | 12.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | K140 | K140-G143 PolarHBondContact O-N 3.45Š|
| 144 | V | 85.9 | Confident | 92 | Very high | 80 Ų | 80 | 49.7 Ų | 49.7 | 49% | 0.485 | 26% | 0.263 | S | S | . | . | trans | -79.7 | 123.3 | 176.1 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | T139 K140 K142 C146 | T139-V144 WeakPolarHBondContact CA-O 3.5Å; K140-V144 PolarHBondContact N-O 2.98Å; K142-V144 VanDerWaalsContact C-N 3.29Å; K142-V144 PolarHBondContact O-N 2.94Å; V144-C146 PolarHBondContact O-N 2.89Å | ||
| 145 | V | 92 | Very high | 92 | Very high | 10 Ų | 10 | 49.6 Ų | 49.6 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 133.5 | 174.2 | 179.1 | 0 | 0 | 0 | 0 | 109 | N137 L138 T139 L147 M148 V274 N277 | N137-V145 HydrophobicContact CB-CG1 4.47Å; L138-V145 CarbonylContact O-C 3.53Å; L138-V145 WeakPolarHBondContact O-CA 3.15Å; T139-V145 HydrophobicContact CG2-CG2 3.89Å; V145-L147 WeakPolarHBondContact CG1-O 3.32Å; V145-M148 HydrophobicContact CG1-CG 3.36Å; V145-M148 HydrophobicContact CG1-SD 4.1Å; V145-V274 HydrophobicContact CB-CB 4.45Å; V145-V274 HydrophobicContact CB-CG1 4.16Å; V145-V274 HydrophobicContact CG1-CB 4.34Å; V145-V274 HydrophobicContact CG1-CG1 4.09Å; V145-V274 HydrophobicContact CG1-CG2 4.36Å; V145-V274 WeakPolarHBondContact O-CB 3.41Å; V145-N277 HydrophobicContact CB-CB 4.45Å; V145-N277 WeakPolarHBondContact CB-OD1 3.03Å; V145-N277 HydrophobicContact CG2-CB 3.9Å; V145-N277 VanDerWaalsContact CG2-OD1 3.31Å; V145-N277 WeakPolarHBondContact CG2-OD1 3.07Å; V145-N277 PolarHBondContact N-OD1 3.32Å; V145-N277 VanDerWaalsContact N-OD1 3.15Å |
| 146 | C | 93.5 | Very high | 91.9 | Very high | 8 Ų | 8 | 48.5 Ų | 48.5 | 5% | 0.054 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | -18.3 | 179.9 | 68.2 | 0 | 0 | 0 | 0 | 112.7 | L138 K140 V144 C179 A271 F272 | L138-C146 PolarHBondContact O-N 2.78Å; L138-C146 PolarHBondContact O-SG 2.78Å; L138-C146 VanDerWaalsContact O-SG 3.41Å; K140-C146 HydrophobicContact CB-CB 4.37Å; V144-C146 PolarHBondContact O-N 2.89Å; C146-C179 HydrophobicContact CB-CB 3.41Å; C146-C179 VanDerWaalsContact CB-CB 3.41Å; C146-C179 WeakPolarHBondContact CB-SG 3.5Å; C146-C179 WeakPolarHBondContact SG-CB 3.37Å; C146-C179 CovalentContact SG-SG 2.03Å; C146-C179 PolarHBondContact SG-SG 3.46Å; C146-A271 CarbonylContact O-C 3.54Å; C146-F272 PolarHBondContact O-N 3.05Å |
| 147 | L | 96.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 132.7 | 175 | -169 | 153.5 | 0 | 0 | 0 | 109.1 | N137 L138 V145 A149 A184 L186 F199 Q270 A271 | N137-L147 CarbonylContact C-O 3.55Å; N137-L147 WeakPolarHBondContact CA-O 3.19Å; L138-L147 HydrophobicContact CB-CB 4.1Å; L138-L147 HydrophobicContact CD1-CB 4.14Å; L138-L147 HydrophobicContact CD1-CD1 4.31Å; L138-L147 HydrophobicContact CG-CB 4.28Å; L138-L147 PolarHBondContact N-O 3.3Å; L138-L147 PolarHBondContact O-N 3.32Å; V145-L147 WeakPolarHBondContact CG1-O 3.32Å; L147-A149 HydrophobicContact CD2-CB 4.16Å; L147-A184 HydrophobicContact CD1-CB 4.2Å; L147-L186 HydrophobicContact CD1-CB 4.22Å; L147-L186 HydrophobicContact CD2-CB 4.19Å; L147-L186 HydrophobicContact CD2-CD1 4.38Å; L147-L186 HydrophobicContact CD2-CD2 3.85Å; L147-L186 HydrophobicContact CD2-CG 4.36Å; L147-F199 HydrophobicContact CD1-CD2 3.68Å; L147-F199 HydrophobicContact CD1-CE2 3.78Å; L147-F199 HydrophobicContact CD1-CG 4.47Å; L147-Q270 CarbonylContact C-O 3.53Å; L147-Q270 VanDerWaalsContact CA-O 3.28Å; L147-Q270 WeakPolarHBondContact CA-O 3.44Å; L147-A271 HydrophobicContact CD1-CB 4.08Å; L147-A271 HydrophobicContact CG-CB 4.2Å |
| 148 | M | 96.1 | Very high | 91.8 | Very high | 18 Ų | 18 | 47.9 Ų | 47.9 | 9% | 0.089 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 137.9 | 171.8 | -65.1 | -177.6 | 72.7 | 0 | 0 | 109.3 | Y136 V145 L269 Q270 V274 F279 | Y136-M148 CarbonylContact O-C 3.43Å; V145-M148 HydrophobicContact CG1-CG 3.36Å; V145-M148 HydrophobicContact CG1-SD 4.1Å; M148-L269 WeakPolarHBondContact O-CA 3.47Å; M148-Q270 PolarHBondContact N-O 2.88Å; M148-Q270 PolarHBondContact O-N 2.87Å; M148-V274 HydrophobicContact CG-CG1 4.13Å; M148-V274 HydrophobicContact CG-CG2 4.3Å; M148-V274 HydrophobicContact SD-CG1 3.54Å; M148-V274 VanDerWaalsContact SD-CG1 3.54Å; M148-F279 HydrophobicContact CB-CD1 4.08Å; M148-F279 HydrophobicContact CB-CE1 3.43Å; M148-F279 VanDerWaalsContact CB-CE1 3.43Å; M148-F279 HydrophobicContact CB-CE2 4.44Å; M148-F279 HydrophobicContact CB-CZ 3.64Å; M148-F279 HydrophobicContact CE-CD2 4.25Å; M148-F279 HydrophobicContact CE-CE2 4.16Å; M148-F279 HydrophobicContact CE-CZ 4.47Å |
| 149 | A | 97.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 113.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y136 L147 M151 L186 L269 | Y136-A149 HydrophobicContact CD2-CB 4.39Å; Y136-A149 WeakPolarHBondContact CD2-O 3.32Å; Y136-A149 PolarHBondContact N-O 2.85Å; Y136-A149 PolarHBondContact O-N 3.26Å; L147-A149 HydrophobicContact CD2-CB 4.16Å; A149-M151 HydrophobicContact CB-CE 3.44Å; A149-M151 VanDerWaalsContact CB-CE 3.44Å; A149-L186 HydrophobicContact CB-CD2 3.83Å; A149-L269 HydrophobicContact CB-CD2 4.33Å; A149-L269 HydrophobicContact CB-CG 4.34Å |
| 150 | Q | 97.4 | Very high | 91.1 | Very high | 56 Ų | 56 | 53.9 Ų | 53.9 | 26% | 0.262 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 119.4 | 167.2 | 179.4 | 173.3 | 1.9 | 0 | 0 | 107.3 | E133 G134 N135 N267 R268 F279 | E133-Q150 PolarHBondContact OE2-NE2 2.79Å; G134-Q150 VanDerWaalsContact O-CA 3.28Å; G134-Q150 WeakPolarHBondContact O-CA 3.19Å; N135-Q150 VanDerWaalsContact OD1-CG 3.32Å; N135-Q150 WeakPolarHBondContact OD1-CG 3.15Å; Q150-N267 CarbonylContact O-C 3.52Å; Q150-N267 VanDerWaalsContact O-CA 3.28Å; Q150-N267 WeakPolarHBondContact O-CA 3.28Å; Q150-R268 HydrophobicContact CB-CB 4.37Å; Q150-R268 PolarHBondContact N-O 2.79Å; Q150-R268 PolarHBondContact O-N 3.42Å; Q150-F279 HydrophobicContact CB-CE2 4.16Å; Q150-F279 HydrophobicContact CB-CZ 4.14Å |
| 151 | M | 97.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.8 | 150.1 | 179.8 | 47.4 | 179.9 | 143 | 0 | 0 | 111.8 | G134 Y136 A149 L153 L186 F197 V264 N267 L269 | G134-M151 PolarHBondContact N-O 2.78Å; G134-M151 PolarHBondContact O-N 2.82Å; Y136-M151 HydrophobicContact CD2-CG 4.34Å; Y136-M151 HydrophobicContact CE2-CG 4.17Å; A149-M151 HydrophobicContact CB-CE 3.44Å; A149-M151 VanDerWaalsContact CB-CE 3.44Å; M151-L153 HydrophobicContact CG-CD1 4.41Å; M151-L153 HydrophobicContact CG-CD2 4.33Å; M151-L153 HydrophobicContact CG-CG 4.21Å; M151-L153 HydrophobicContact SD-CD1 4.18Å; M151-L153 HydrophobicContact SD-CD2 3.74Å; M151-L153 HydrophobicContact SD-CG 4.15Å; M151-L186 HydrophobicContact CE-CD2 4.07Å; M151-F197 HydrophobicContact CE-CE2 4.24Å; M151-F197 HydrophobicContact CE-CZ 4.29Å; M151-F197 HydrophobicContact SD-CZ 4.24Å; M151-V264 HydrophobicContact CB-CG1 3.75Å; M151-V264 HydrophobicContact CG-CG1 4.38Å; M151-V264 HydrophobicContact SD-CG1 3.79Å; M151-N267 HydrophobicContact CB-CB 4.04Å; M151-L269 HydrophobicContact CE-CD2 3.72Å; M151-L269 HydrophobicContact CE-CG 4.39Å; M151-L269 HydrophobicContact SD-CD2 4.41Å |
| 152 | A | 97 | Very high | 91.3 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 134.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L131 T132 E133 V264 S265 | L131-A152 HydrophobicContact CD1-CB 3.83Å; L131-A152 HydrophobicContact CD2-CB 4.23Å; L131-A152 HydrophobicContact CG-CB 3.55Å; T132-A152 WeakPolarHBondContact O-CB 3.49Å; E133-A152 HydrophobicContact CG-CB 4.15Å; A152-V264 WeakPolarHBondContact O-CA 3.41Å; A152-S265 PolarHBondContact N-O 3.03Å; A152-S265 PolarHBondContact O-N 2.85Å |
| 153 | L | 97.3 | Very high | 92 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 134.4 | -168.2 | -66.6 | 170.8 | 0 | 0 | 0 | 111.4 | M151 I168 L188 I195 F197 L262 V264 | M151-L153 HydrophobicContact CG-CD1 4.41Å; M151-L153 HydrophobicContact CG-CD2 4.33Å; M151-L153 HydrophobicContact CG-CG 4.21Å; M151-L153 HydrophobicContact SD-CD1 4.18Å; M151-L153 HydrophobicContact SD-CD2 3.74Å; M151-L153 HydrophobicContact SD-CG 4.15Å; L153-I168 HydrophobicContact CB-CB 3.98Å; L153-I168 HydrophobicContact CB-CD1 3.92Å; L153-I168 HydrophobicContact CB-CG1 4.12Å; L153-I168 WeakPolarHBondContact O-CD1 3.28Å; L153-I168 PolarHBondContact O-N 2.83Å; L153-L188 HydrophobicContact CD1-CD1 3.43Å; L153-L188 VanDerWaalsContact CD1-CD1 3.43Å; L153-I195 HydrophobicContact CD1-CD1 4.42Å; L153-F197 HydrophobicContact CD1-CZ 4.33Å; L153-F197 HydrophobicContact CD2-CZ 4.22Å; L153-L262 HydrophobicContact CD2-CD1 4.22Å; L153-V264 HydrophobicContact CD2-CB 4.17Å; L153-V264 HydrophobicContact CD2-CG1 3.83Å; L153-V264 HydrophobicContact CD2-CG2 3.75Å |
| 154 | K | 95.8 | Very high | 92.6 | Very high | 62 Ų | 62 | 46.6 Ų | 46.6 | 27% | 0.27 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 138.5 | 167.2 | 66.4 | -173.4 | -179.1 | -158.8 | 0 | 110.5 | L131 T165 F166 I167 E263 | L131-K154 HydrophobicContact CD1-CB 4.34Å; L131-K154 HydrophobicContact CD2-CD 4.29Å; K154-T165 HydrophobicContact CB-CG2 4.13Å; K154-T165 HydrophobicContact CD-CG2 4.46Å; K154-F166 CarbonylContact C-O 3.6Å; K154-F166 VanDerWaalsContact CA-O 3.32Å; K154-F166 WeakPolarHBondContact CA-O 3.28Å; K154-I167 HydrophobicContact CB-CG1 4.07Å; K154-E263 HydrophobicContact CD-CB 4.13Å; K154-E263 HydrophobicContact CD-CG 4.45Å; K154-E263 HydrophobicContact CG-CB 3.56Å; K154-E263 HydrophobicContact CG-CG 4.07Å; K154-E263 PolarHBondContact N-O 2.87Å; K154-E263 PolarHBondContact O-N 2.93Å |
| 155 | I | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 126 | 170.8 | -65.6 | 164.7 | 0 | 0 | 0 | 107.2 | T165 F166 I168 I195 F215 L217 L260 S261 L262 | I155-T165 CarbonylContact O-C 3.59Å; I155-T165 VanDerWaalsContact O-CA 3.29Å; I155-T165 WeakPolarHBondContact O-CA 3.41Å; I155-F166 HydrophobicContact CB-CB 4.49Å; I155-F166 HydrophobicContact CD1-CD1 4.39Å; I155-F166 PolarHBondContact N-O 2.77Å; I155-F166 PolarHBondContact O-N 3.01Å; I155-I168 HydrophobicContact CD1-CD1 4.2Å; I155-I168 HydrophobicContact CG1-CD1 4.05Å; I155-I195 HydrophobicContact CD1-CD1 4.21Å; I155-I195 HydrophobicContact CD1-CG1 4.43Å; I155-F215 HydrophobicContact CD1-CD2 3.93Å; I155-F215 HydrophobicContact CD1-CE2 4.23Å; I155-F215 HydrophobicContact CD1-CG 4.22Å; I155-F215 HydrophobicContact CG2-CE2 4.28Å; I155-F215 HydrophobicContact CG2-CZ 4.14Å; I155-L217 HydrophobicContact CD1-CD2 4.1Å; I155-L217 HydrophobicContact CG2-CD2 4.24Å; I155-L260 HydrophobicContact CG2-CD2 3.98Å; I155-S261 WeakPolarHBondContact CA-O 3.41Å; I155-L262 HydrophobicContact CG1-CD1 3.9Å |
| 156 | K | 95.3 | Very high | 93.2 | Very high | 91 Ų | 91 | 46.4 Ų | 46.4 | 40% | 0.396 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 132.6 | 177.7 | -176.3 | -178.8 | 176.8 | -174.8 | 0 | 109.3 | G164 L260 S261 E263 | K156-G164 WeakPolarHBondContact CA-O 3.38Å; K156-L260 CarbonylContact O-C 3.54Å; K156-L260 VanDerWaalsContact O-CA 3.32Å; K156-L260 WeakPolarHBondContact O-CA 3.46Å; K156-S261 PolarHBondContact N-O 2.92Å; K156-S261 PolarHBondContact O-N 3.43Å; K156-E263 HydrophobicContact CB-CG 4.49Å |
| 157 | L | 95.1 | Very high | 93.4 | Very high | 9 Ų | 9 | 48 Ų | 48 | 5% | 0.047 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 125.5 | 165.6 | 175.8 | 68 | 0 | 0 | 0 | 107.9 | N163 G164 L221 T222 Y229 G259 L260 | L157-N163 CarbonylContact O-C 3.59Å; L157-N163 VanDerWaalsContact O-CA 3.25Å; L157-N163 WeakPolarHBondContact O-CA 3.48Å; L157-G164 PolarHBondContact N-O 3.28Å; L157-G164 PolarHBondContact O-N 2.85Å; L157-L221 HydrophobicContact CB-CB 4.37Å; L157-L221 HydrophobicContact CB-CD1 3.87Å; L157-L221 HydrophobicContact CD2-CB 3.96Å; L157-L221 HydrophobicContact CD2-CD1 4.39Å; L157-T222 HydrophobicContact CD2-CG2 3.6Å; L157-Y229 HydrophobicContact CD2-CE1 4.17Å; L157-G259 CarbonylContact C-O 3.56Å; L157-G259 WeakPolarHBondContact CA-O 3.48Å; L157-L260 HydrophobicContact CB-CD2 3.91Å; L157-L260 HydrophobicContact CD1-CD2 3.92Å; L157-L260 HydrophobicContact CD1-CG 3.82Å; L157-L260 HydrophobicContact CG-CD2 4.49Å |
| 158 | S | 93.3 | Very high | 93.3 | Very high | 65 Ų | 65 | 48 Ų | 48 | 46% | 0.455 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 97.2 | 172.9 | -171.1 | 0 | 0 | 0 | 0 | 108.2 | N163 G259 | S158-N163 WeakPolarHBondContact CA-OD1 3.33Å; S158-G259 PolarHBondContact N-O 3.04Å; S158-G259 VanDerWaalsContact O-CA 3.27Å; S158-G259 WeakPolarHBondContact O-CA 3.36Å |
| 159 | S | 88.6 | Confident | 93.3 | Very high | 46 Ų | 46 | 52.7 Ų | 52.7 | 32% | 0.322 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 163.9 | -174.6 | -173.7 | 0 | 0 | 0 | 0 | 111.2 | K161 G162 N163 | S159-K161 PolarHBondContact O-N 2.79Å; S159-K161 VanDerWaalsContact O-N 3.15Å; S159-G162 PolarHBondContact N-O 3.09Å; S159-G162 CarbonylContact O-C 3.59Å; S159-G162 PolarHBondContact O-N 2.75Å; S159-G162 VanDerWaalsContact O-N 3.08Å; S159-N163 PolarHBondContact N-OD1 3.01Å |
| 160 | Q | 83.3 | Confident | 93.3 | Very high | 187 Ų | 187 | 54 Ų | 54 | 87% | 0.874 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -26.1 | 173.6 | -62.6 | -68.4 | 2.7 | 0 | 0 | 112.4 | G162 | Q160-G162 VanDerWaalsContact C-N 3.3Š|
| 161 | K | 78 | Confident | 93.2 | Very high | 186 Ų | 186 | 58 Ų | 58 | 81% | 0.809 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -6.4 | -179.7 | -63 | -178.7 | -179.8 | 178.3 | 0 | 113.7 | S159 | S159-K161 PolarHBondContact O-N 2.79Å; S159-K161 VanDerWaalsContact O-N 3.15Å |
| 162 | G | 84.1 | Confident | 93.1 | Very high | 25 Ų | 25 | 62.7 Ų | 62.7 | 26% | 0.258 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 137.8 | 165.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S159 Q160 | S159-G162 PolarHBondContact N-O 3.09Å; S159-G162 CarbonylContact O-C 3.59Å; S159-G162 PolarHBondContact O-N 2.75Å; S159-G162 VanDerWaalsContact O-N 3.08Å; Q160-G162 VanDerWaalsContact C-N 3.3Å |
| 163 | N | 92.6 | Very high | 93.1 | Very high | 118 Ų | 118 | 63.4 Ų | 63.4 | 63% | 0.631 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 142.7 | 178.4 | -64.3 | -17.9 | 0 | 0 | 0 | 109.6 | L157 S158 S159 | L157-N163 CarbonylContact O-C 3.59Å; L157-N163 VanDerWaalsContact O-CA 3.25Å; L157-N163 WeakPolarHBondContact O-CA 3.48Å; S158-N163 WeakPolarHBondContact CA-OD1 3.33Å; S159-N163 PolarHBondContact N-OD1 3.01Å |
| 164 | G | 93 | Very high | 93.1 | Very high | 13 Ų | 13 | 67.8 Ų | 67.8 | 13% | 0.134 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 159.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K156 L157 L221 | K156-G164 WeakPolarHBondContact CA-O 3.38Å; L157-G164 PolarHBondContact N-O 3.28Å; L157-G164 PolarHBondContact O-N 2.85Å; G164-L221 WeakPolarHBondContact CA-O 3.5Å |
| 165 | T | 95 | Very high | 93.2 | Very high | 70 Ų | 70 | 66.6 Ų | 66.6 | 43% | 0.429 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 135.2 | 172.6 | -57.7 | 0 | 0 | 0 | 0 | 109.4 | K154 I155 I167 | K154-T165 HydrophobicContact CB-CG2 4.13Å; K154-T165 HydrophobicContact CD-CG2 4.46Å; I155-T165 CarbonylContact O-C 3.59Å; I155-T165 VanDerWaalsContact O-CA 3.29Å; I155-T165 WeakPolarHBondContact O-CA 3.41Å; T165-I167 HydrophobicContact CG2-CG1 4.26Å |
| 166 | F | 95.4 | Very high | 93.2 | Very high | 16 Ų | 16 | 69.2 Ų | 69.2 | 7% | 0.07 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 119 | 171 | 177 | -100.4 | 0 | 0 | 0 | 108.5 | K154 I155 I168 F190 Q192 L217 Y219 L221 | K154-F166 CarbonylContact C-O 3.6Å; K154-F166 VanDerWaalsContact CA-O 3.32Å; K154-F166 WeakPolarHBondContact CA-O 3.28Å; I155-F166 HydrophobicContact CB-CB 4.49Å; I155-F166 HydrophobicContact CD1-CD1 4.39Å; I155-F166 PolarHBondContact N-O 2.77Å; I155-F166 PolarHBondContact O-N 3.01Å; F166-I168 HydrophobicContact CD1-CD1 3.99Å; F166-I168 HydrophobicContact CD1-CG1 4.33Å; F166-I168 HydrophobicContact CE1-CD1 4.23Å; F166-I168 HydrophobicContact CE1-CG1 4.05Å; F166-F190 AromaticContact CE1-CD2 3.91Å; F166-F190 HydrophobicContact CE1-CD2 3.91Å; F166-F190 AromaticContact CE1-CE2 3.54Å; F166-F190 HydrophobicContact CE1-CE2 3.54Å; F166-F190 HydrophobicContact CE1-CZ 4.03Å; F166-F190 AromaticContact CZ-CD2 3.97Å; F166-F190 HydrophobicContact CZ-CD2 3.97Å; F166-F190 AromaticContact CZ-CE2 3.99Å; F166-F190 HydrophobicContact CZ-CE2 3.99Å; F166-Q192 HydrophobicContact CE2-CB 4.33Å; F166-Q192 HydrophobicContact CE2-CG 3.97Å; F166-Q192 HydrophobicContact CZ-CB 4.09Å; F166-Q192 HydrophobicContact CZ-CG 4.09Å; F166-L217 HydrophobicContact CB-CD2 4.01Å; F166-L217 HydrophobicContact CD1-CD1 3.71Å; F166-L217 HydrophobicContact CD1-CD2 4.27Å; F166-L217 HydrophobicContact CD2-CD1 4.35Å; F166-L217 HydrophobicContact CE1-CD1 3.8Å; F166-L217 HydrophobicContact CE2-CD1 4.44Å; F166-L217 HydrophobicContact CG-CD1 3.99Å; F166-L217 HydrophobicContact CG-CD2 4.19Å; F166-L217 HydrophobicContact CZ-CD1 4.18Å; F166-Y219 HydrophobicContact CB-CD1 4.28Å; F166-Y219 HydrophobicContact CB-CE1 4.48Å; F166-Y219 AromaticContact CD2-CD1 3.98Å; F166-Y219 HydrophobicContact CD2-CD1 3.98Å; F166-Y219 AromaticContact CD2-CD2 3.59Å; F166-Y219 HydrophobicContact CD2-CD2 3.59Å; F166-Y219 HydrophobicContact CD2-CE1 4.04Å; F166-Y219 AromaticContact CD2-CE2 3.65Å; F166-Y219 HydrophobicContact CD2-CE2 3.65Å; F166-Y219 AromaticContact CD2-CG 3.76Å; F166-Y219 HydrophobicContact CD2-CG 3.76Å; F166-Y219 AromaticContact CD2-CZ 3.87Å; F166-Y219 AromaticContact CE2-CD2 3.78Å; F166-Y219 HydrophobicContact CE2-CD2 3.78Å; F166-Y219 AromaticContact CE2-CE2 3.87Å; F166-Y219 HydrophobicContact CE2-CE2 3.87Å; F166-Y219 HydrophobicContact CE2-CG 4.33Å; F166-Y219 HydrophobicContact CG-CG 4.47Å; F166-L221 HydrophobicContact CB-CD2 3.88Å |
| 167 | I | 96.1 | Very high | 93.3 | Very high | 41 Ų | 41 | 66.9 Ų | 66.9 | 21% | 0.21 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 126.3 | 178.4 | -65 | 169 | 0 | 0 | 0 | 108.1 | T129 L131 K154 T165 | T129-I167 HydrophobicContact CG2-CD1 3.45Å; T129-I167 VanDerWaalsContact CG2-CD1 3.45Å; L131-I167 HydrophobicContact CD1-CG2 4.03Å; K154-I167 HydrophobicContact CB-CG1 4.07Å; T165-I167 HydrophobicContact CG2-CG1 4.26Å |
| 168 | I | 96.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.005 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 125.3 | 177.3 | -64.6 | 72.3 | 0 | 0 | 0 | 107.1 | L153 I155 F166 P170 T173 F190 I195 | L153-I168 HydrophobicContact CB-CB 3.98Å; L153-I168 HydrophobicContact CB-CD1 3.92Å; L153-I168 HydrophobicContact CB-CG1 4.12Å; L153-I168 WeakPolarHBondContact O-CD1 3.28Å; L153-I168 PolarHBondContact O-N 2.83Å; I155-I168 HydrophobicContact CD1-CD1 4.2Å; I155-I168 HydrophobicContact CG1-CD1 4.05Å; F166-I168 HydrophobicContact CD1-CD1 3.99Å; F166-I168 HydrophobicContact CD1-CG1 4.33Å; F166-I168 HydrophobicContact CE1-CD1 4.23Å; F166-I168 HydrophobicContact CE1-CG1 4.05Å; I168-P170 WeakPolarHBondContact O-CD 3.38Å; I168-T173 HydrophobicContact CG2-CG2 4.27Å; I168-T173 VanDerWaalsContact CG2-OG1 3.32Å; I168-T173 WeakPolarHBondContact CG2-OG1 3.35Å; I168-F190 HydrophobicContact CG1-CD1 4.41Å; I168-F190 HydrophobicContact CG1-CE1 4Å; I168-F190 HydrophobicContact CG1-CZ 4.36Å; I168-F190 HydrophobicContact CG2-CD1 4.1Å; I168-F190 HydrophobicContact CG2-CE1 4.43Å; I168-I195 HydrophobicContact CD1-CD1 4.04Å; I168-I195 HydrophobicContact CG1-CD1 3.93Å |
| 169 | K | 96 | Very high | 93.3 | Very high | 117 Ų | 117 | 68.3 Ų | 68.3 | 51% | 0.509 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -94.9 | 117.2 | 178.8 | -65.8 | -174.9 | 179.8 | 176.9 | 0 | 110.1 | N171 Q172 T173 | K169-N171 VanDerWaalsContact C-N 3.29Å; K169-N171 WeakPolarHBondContact CB-OD1 3.19Å; K169-N171 PolarHBondContact O-N 2.89Å; K169-Q172 HydrophobicContact CB-CB 4.42Å; K169-Q172 PolarHBondContact O-N 3.45Å; K169-T173 PolarHBondContact O-N 2.92Å; K169-T173 PolarHBondContact O-OG1 2.89Å |
| 170 | P | 95.9 | Very high | 93.5 | Very high | 28 Ų | 28 | 71.6 Ų | 71.6 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -57.9 | -38.5 | -176.8 | -27.6 | 35.3 | 0 | 0 | 0 | 114 | T132 G134 I168 Q172 T173 | T132-P170 HydrophobicContact CG2-CG 4.3Å; T132-P170 WeakPolarHBondContact O-CG 3.35Å; G134-P170 VanDerWaalsContact CA-CB 3.49Å; G134-P170 VanDerWaalsContact CA-CG 3.47Å; I168-P170 WeakPolarHBondContact O-CD 3.38Å; P170-Q172 PolarHBondContact O-N 3.49Å; P170-Q172 VanDerWaalsContact O-N 3.15Å; P170-T173 PolarHBondContact O-N 2.78Å; P170-T173 VanDerWaalsContact O-N 3.11Å |
| 171 | N | 95.6 | Very high | 93.8 | Very high | 140 Ų | 140 | 70.4 Ų | 70.4 | 75% | 0.749 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -66.7 | -13 | 179.3 | 67.7 | -25.2 | 0 | 0 | 0 | 114.5 | K169 | K169-N171 VanDerWaalsContact C-N 3.29Å; K169-N171 WeakPolarHBondContact CB-OD1 3.19Å; K169-N171 PolarHBondContact O-N 2.89Å |
| 172 | Q | 95.3 | Very high | 94.6 | Very high | 100 Ų | 100 | 64.7 Ų | 64.7 | 47% | 0.467 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -116.1 | 15.7 | 177.5 | -63.7 | -176.8 | -41.1 | 0 | 0 | 111.8 | K169 P170 | K169-Q172 HydrophobicContact CB-CB 4.42Å; K169-Q172 PolarHBondContact O-N 3.45Å; P170-Q172 PolarHBondContact O-N 3.49Å; P170-Q172 VanDerWaalsContact O-N 3.15Å |
| 173 | T | 97.6 | Very high | 95.1 | Very high | 16 Ų | 16 | 69 Ų | 69 | 10% | 0.098 | 37% | 0.374 | C | S | . | . | trans | -123.2 | 129.3 | -175 | -58.2 | 0 | 0 | 0 | 0 | 109.9 | Y136 I168 K169 P170 L188 T189 F190 | Y136-T173 HydrophobicContact CE1-CG2 4Å; I168-T173 HydrophobicContact CG2-CG2 4.27Å; I168-T173 VanDerWaalsContact CG2-OG1 3.32Å; I168-T173 WeakPolarHBondContact CG2-OG1 3.35Å; K169-T173 PolarHBondContact O-N 2.92Å; K169-T173 PolarHBondContact O-OG1 2.89Å; P170-T173 PolarHBondContact O-N 2.78Å; P170-T173 VanDerWaalsContact O-N 3.11Å; T173-L188 HydrophobicContact CG2-CB 3.75Å; T173-T189 CarbonylContact C-O 3.58Å; T173-T189 WeakPolarHBondContact CA-O 3.43Å; T173-F190 HydrophobicContact CG2-CD1 4.36Å | ||
| 174 | T | 97.3 | Very high | 95.3 | Very high | 93 Ų | 93 | 63.5 Ų | 63.5 | 57% | 0.571 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 129.5 | 175.5 | 57.2 | 0 | 0 | 0 | 0 | 110.5 | T189 | T174-T189 PolarHBondContact N-O 2.76Å; T174-T189 PolarHBondContact O-N 2.96Å; T174-T189 PolarHBondContact OG1-O 2.8Å |
| 175 | A | 97.4 | Very high | 95.5 | Very high | 37 Ų | 37 | 64.7 Ų | 64.7 | 31% | 0.306 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 137.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y136 L138 L186 L188 | Y136-A175 HydrophobicContact CD1-CB 4.06Å; Y136-A175 HydrophobicContact CG-CB 4.43Å; L138-A175 HydrophobicContact CD2-CB 4.49Å; A175-L186 HydrophobicContact CB-CD1 3.96Å; A175-L188 HydrophobicContact CB-CD2 3.83Å |
| 176 | S | 96.8 | Very high | 95.6 | Very high | 55 Ų | 55 | 61.4 Ų | 61.4 | 39% | 0.385 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 163.4 | 175.7 | 59.6 | 0 | 0 | 0 | 0 | 109.5 | L138 T187 | L138-S176 VanDerWaalsContact CD2-C 3.46Å; S176-T187 PolarHBondContact N-O 2.97Å; S176-T187 PolarHBondContact O-N 2.85Å; S176-T187 PolarHBondContact OG-O 2.86Å; S176-T187 VanDerWaalsContact OG-O 3.14Å |
| 177 | G | 95.9 | Very high | 95.8 | Very high | 42 Ų | 42 | 61.8 Ų | 61.8 | 43% | 0.433 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 153 | -171.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N185 | G177-N185 WeakPolarHBondContact CA-O 3.38Å; G177-N185 WeakPolarHBondContact CA-OD1 3.33Å |
| 178 | E | 94.6 | Very high | 95.9 | Very high | 87 Ų | 87 | 59.9 Ų | 59.9 | 41% | 0.407 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 147.2 | -177.8 | 52.3 | 164.9 | -160.5 | 0 | 0 | 110.9 | K180 A184 N185 | E178-K180 WeakPolarHBondContact OE1-CE 3.21Å; E178-K180 IonicContact OE1-NZ 2.7Å; E178-K180 PolarHBondContact OE1-NZ 3.45Å; E178-K180 WeakPolarHBondContact OE2-CE 3.28Å; E178-K180 IonicContact OE2-NZ 3Å; E178-K180 PolarHBondContact OE2-NZ 3Å; E178-A184 CarbonylContact O-C 3.56Å; E178-A184 WeakPolarHBondContact O-CA 3.05Å; E178-N185 WeakPolarHBondContact CG-OD1 3.46Å; E178-N185 PolarHBondContact N-O 3.04Å; E178-N185 PolarHBondContact N-OD1 2.77Å; E178-N185 PolarHBondContact O-N 2.83Å |
| 179 | C | 94 | Very high | 96 | Very high | 17 Ų | 17 | 62.5 Ų | 62.5 | 12% | 0.115 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 104.7 | 173 | -59.6 | 0 | 0 | 0 | 0 | 110.2 | C146 A184 | C146-C179 HydrophobicContact CB-CB 3.41Å; C146-C179 VanDerWaalsContact CB-CB 3.41Å; C146-C179 WeakPolarHBondContact CB-SG 3.5Å; C146-C179 WeakPolarHBondContact SG-CB 3.37Å; C146-C179 CovalentContact SG-SG 2.03Å; C146-C179 PolarHBondContact SG-SG 3.46Å; C179-A184 HydrophobicContact CB-CB 4.33Å |
| 180 | K | 92.9 | Very high | 96 | Very high | 114 Ų | 114 | 57.6 Ų | 57.6 | 50% | 0.496 | 32% | 0.317 | S | S | . | . | trans | -89.2 | -178.8 | 169.3 | -66.3 | 168.5 | 173.4 | 151.4 | 0 | 109.5 | E178 T182 K183 | E178-K180 WeakPolarHBondContact OE1-CE 3.21Å; E178-K180 IonicContact OE1-NZ 2.7Å; E178-K180 PolarHBondContact OE1-NZ 3.45Å; E178-K180 WeakPolarHBondContact OE2-CE 3.28Å; E178-K180 IonicContact OE2-NZ 3Å; E178-K180 PolarHBondContact OE2-NZ 3Å; K180-T182 VanDerWaalsContact C-N 3.35Å; K180-T182 PolarHBondContact O-N 2.7Å; K180-K183 CarbonylContact C-O 3.6Å; K180-K183 WeakPolarHBondContact CA-O 3.28Å; K180-K183 VanDerWaalsContact CB-O 3.32Å; K180-K183 WeakPolarHBondContact CB-O 3.47Å; K180-K183 PolarHBondContact N-O 3.23Å | ||
| 181 | E | 90.8 | Very high | 96.1 | Very high | 163 Ų | 163 | 64.2 Ų | 64.2 | 76% | 0.762 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -64 | -38.8 | -176.9 | -64.1 | -175.6 | 169.6 | 0 | 0 | 113.3 | ||
| 182 | T | 94.1 | Very high | 96.1 | Very high | 66 Ų | 66 | 60.5 Ų | 60.5 | 41% | 0.405 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -121.7 | -10.3 | -174.6 | 56.7 | 0 | 0 | 0 | 0 | 114.4 | K180 N200 K201 | K180-T182 VanDerWaalsContact C-N 3.35Å; K180-T182 PolarHBondContact O-N 2.7Å; T182-N200 CarbonylContact O-C 3.59Å; T182-N200 WeakPolarHBondContact O-CA 3.43Å; T182-K201 PolarHBondContact O-N 2.87Å |
| 183 | K | 95.4 | Very high | 96.2 | Very high | 115 Ų | 115 | 56.3 Ų | 56.3 | 50% | 0.5 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 140.1 | 179.2 | -61.9 | -173.2 | 178.8 | -179.3 | 0 | 110.5 | K180 F199 | K180-K183 CarbonylContact C-O 3.6Å; K180-K183 WeakPolarHBondContact CA-O 3.28Å; K180-K183 VanDerWaalsContact CB-O 3.32Å; K180-K183 WeakPolarHBondContact CB-O 3.47Å; K180-K183 PolarHBondContact N-O 3.23Å; K183-F199 WeakPolarHBondContact CA-O 3.27Å |
| 184 | A | 96.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 2% | 0.017 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 144.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | L147 E178 C179 F199 F272 | L147-A184 HydrophobicContact CD1-CB 4.2Å; E178-A184 CarbonylContact O-C 3.56Å; E178-A184 WeakPolarHBondContact O-CA 3.05Å; C179-A184 HydrophobicContact CB-CB 4.33Å; A184-F199 HydrophobicContact CB-CB 4.37Å; A184-F199 PolarHBondContact N-O 2.98Å; A184-F199 PolarHBondContact O-N 2.9Å; A184-F272 HydrophobicContact CB-CE1 3.92Å; A184-F272 HydrophobicContact CB-CZ 4.03Å |
| 185 | N | 96.9 | Very high | 96.2 | Very high | 39 Ų | 39 | 55 Ų | 55 | 21% | 0.209 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 145.4 | 171.4 | 65.9 | 13.3 | 0 | 0 | 0 | 110.3 | L138 G177 E178 F197 L198 | L138-N185 WeakPolarHBondContact CD1-O 3.37Å; G177-N185 WeakPolarHBondContact CA-O 3.38Å; G177-N185 WeakPolarHBondContact CA-OD1 3.33Å; E178-N185 WeakPolarHBondContact CG-OD1 3.46Å; E178-N185 PolarHBondContact N-O 3.04Å; E178-N185 PolarHBondContact N-OD1 2.77Å; E178-N185 PolarHBondContact O-N 2.83Å; N185-F197 CarbonylContact C-O 3.58Å; N185-F197 VanDerWaalsContact CA-O 3.28Å; N185-F197 WeakPolarHBondContact CA-O 3.5Å; N185-L198 HydrophobicContact CB-CD1 4.19Å |
| 186 | L | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 114.5 | 171.1 | 171.5 | 67.7 | 0 | 0 | 0 | 107.3 | L138 L147 A149 M151 A175 L188 T196 F197 F199 | L138-L186 HydrophobicContact CD1-CB 4.22Å; L138-L186 HydrophobicContact CD1-CD1 3.96Å; L138-L186 HydrophobicContact CD2-CD1 3.93Å; L138-L186 HydrophobicContact CG-CD1 3.92Å; L147-L186 HydrophobicContact CD1-CB 4.22Å; L147-L186 HydrophobicContact CD2-CB 4.19Å; L147-L186 HydrophobicContact CD2-CD1 4.38Å; L147-L186 HydrophobicContact CD2-CD2 3.85Å; L147-L186 HydrophobicContact CD2-CG 4.36Å; A149-L186 HydrophobicContact CB-CD2 3.83Å; M151-L186 HydrophobicContact CE-CD2 4.07Å; A175-L186 HydrophobicContact CB-CD1 3.96Å; L186-L188 HydrophobicContact CD1-CD2 3.85Å; L186-L188 HydrophobicContact CD2-CD2 4.18Å; L186-L188 HydrophobicContact CG-CD2 3.97Å; L186-L188 HydrophobicContact CG-CG 4.36Å; L186-T196 CarbonylContact O-C 3.51Å; L186-T196 WeakPolarHBondContact O-CA 3.21Å; L186-F197 HydrophobicContact CB-CB 4.37Å; L186-F197 HydrophobicContact CD2-CD2 4.24Å; L186-F197 HydrophobicContact CG-CD2 4.41Å; L186-F197 PolarHBondContact N-O 3.23Å; L186-F197 PolarHBondContact O-N 3.03Å; L186-F199 HydrophobicContact CB-CE2 4.35Å |
| 187 | T | 98.3 | Very high | 96.3 | Very high | 25 Ų | 25 | 51.9 Ų | 51.9 | 15% | 0.153 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 116.3 | 174.7 | -60.7 | 0 | 0 | 0 | 0 | 109.2 | S176 F194 I195 T196 | S176-T187 PolarHBondContact N-O 2.97Å; S176-T187 PolarHBondContact O-N 2.85Å; S176-T187 PolarHBondContact OG-O 2.86Å; S176-T187 VanDerWaalsContact OG-O 3.14Å; T187-F194 HydrophobicContact CG2-CB 4.21Å; T187-F194 HydrophobicContact CG2-CD2 4.35Å; T187-I195 CarbonylContact C-O 3.59Å; T187-I195 VanDerWaalsContact CA-O 3.3Å; T187-I195 WeakPolarHBondContact CA-O 3.27Å; T187-T196 WeakPolarHBondContact OG1-CG2 3.32Å; T187-T196 PolarHBondContact OG1-OG1 3.05Å |
| 188 | L | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 112.6 | 173.4 | -57.9 | -172.5 | 0 | 0 | 0 | 108.5 | Y136 L153 T173 A175 L186 F194 I195 F197 | Y136-L188 HydrophobicContact CD1-CD1 4.49Å; Y136-L188 HydrophobicContact CD1-CD2 3.54Å; Y136-L188 HydrophobicContact CD2-CD1 4.1Å; Y136-L188 HydrophobicContact CD2-CD2 4.17Å; Y136-L188 HydrophobicContact CE1-CD1 4.29Å; Y136-L188 HydrophobicContact CE1-CD2 3.97Å; Y136-L188 HydrophobicContact CE2-CD1 3.89Å; Y136-L188 HydrophobicContact CG-CD1 4.39Å; Y136-L188 HydrophobicContact CG-CD2 3.63Å; L153-L188 HydrophobicContact CD1-CD1 3.43Å; L153-L188 VanDerWaalsContact CD1-CD1 3.43Å; T173-L188 HydrophobicContact CG2-CB 3.75Å; A175-L188 HydrophobicContact CB-CD2 3.83Å; L186-L188 HydrophobicContact CD1-CD2 3.85Å; L186-L188 HydrophobicContact CD2-CD2 4.18Å; L186-L188 HydrophobicContact CG-CD2 3.97Å; L186-L188 HydrophobicContact CG-CG 4.36Å; L188-F194 CarbonylContact O-C 3.59Å; L188-F194 WeakPolarHBondContact O-CA 3.45Å; L188-F194 WeakPolarHBondContact O-CB 3.4Å; L188-I195 PolarHBondContact N-O 2.86Å; L188-I195 PolarHBondContact O-N 3.25Å; L188-F197 HydrophobicContact CD1-CE2 3.95Å; L188-F197 HydrophobicContact CG-CE2 4.28Å |
| 189 | T | 98.4 | Very high | 96.5 | Very high | 56 Ų | 56 | 48.8 Ų | 48.8 | 34% | 0.344 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 130.8 | -177.6 | -54.9 | 0 | 0 | 0 | 0 | 110.1 | T173 T174 | T173-T189 CarbonylContact C-O 3.58Å; T173-T189 WeakPolarHBondContact CA-O 3.43Å; T174-T189 PolarHBondContact N-O 2.76Å; T174-T189 PolarHBondContact O-N 2.96Å; T174-T189 PolarHBondContact OG1-O 2.8Å |
| 190 | F | 97.1 | Very high | 96.6 | Very high | 15 Ų | 15 | 49.2 Ų | 49.2 | 7% | 0.066 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 172 | 177 | 45.8 | -94.5 | 0 | 0 | 0 | 109.5 | F166 I168 T173 Q192 G193 I195 L217 | F166-F190 AromaticContact CE1-CD2 3.91Å; F166-F190 HydrophobicContact CE1-CD2 3.91Å; F166-F190 AromaticContact CE1-CE2 3.54Å; F166-F190 HydrophobicContact CE1-CE2 3.54Å; F166-F190 HydrophobicContact CE1-CZ 4.03Å; F166-F190 AromaticContact CZ-CD2 3.97Å; F166-F190 HydrophobicContact CZ-CD2 3.97Å; F166-F190 AromaticContact CZ-CE2 3.99Å; F166-F190 HydrophobicContact CZ-CE2 3.99Å; I168-F190 HydrophobicContact CG1-CD1 4.41Å; I168-F190 HydrophobicContact CG1-CE1 4Å; I168-F190 HydrophobicContact CG1-CZ 4.36Å; I168-F190 HydrophobicContact CG2-CD1 4.1Å; I168-F190 HydrophobicContact CG2-CE1 4.43Å; T173-F190 HydrophobicContact CG2-CD1 4.36Å; F190-Q192 HydrophobicContact CD2-CB 4.05Å; F190-Q192 HydrophobicContact CE2-CB 4.13Å; F190-Q192 PolarHBondContact O-N 2.7Å; F190-Q192 VanDerWaalsContact O-N 3.14Å; F190-G193 PolarHBondContact N-O 3.31Å; F190-G193 PolarHBondContact O-N 2.97Å; F190-G193 VanDerWaalsContact O-N 3.12Å; F190-I195 HydrophobicContact CE1-CD1 4.01Å; F190-I195 HydrophobicContact CE1-CG1 3.96Å; F190-I195 HydrophobicContact CZ-CD1 4.42Å; F190-I195 HydrophobicContact CZ-CG1 4.22Å; F190-L217 HydrophobicContact CE2-CD1 3.89Å |
| 191 | Q | 96.1 | Very high | 96.7 | Very high | 166 Ų | 166 | 46.9 Ų | 46.9 | 78% | 0.776 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -33.7 | -171.4 | -70.8 | -159.6 | 9.7 | 0 | 0 | 114.5 | ||
| 192 | Q | 96.5 | Very high | 96.9 | Very high | 62 Ų | 62 | 40.3 Ų | 40.3 | 29% | 0.29 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -7.9 | -176.7 | -62.4 | 72.2 | 27.5 | 0 | 0 | 113.5 | F166 F190 L217 S218 Y219 | F166-Q192 HydrophobicContact CE2-CB 4.33Å; F166-Q192 HydrophobicContact CE2-CG 3.97Å; F166-Q192 HydrophobicContact CZ-CB 4.09Å; F166-Q192 HydrophobicContact CZ-CG 4.09Å; F190-Q192 HydrophobicContact CD2-CB 4.05Å; F190-Q192 HydrophobicContact CE2-CB 4.13Å; F190-Q192 PolarHBondContact O-N 2.7Å; F190-Q192 VanDerWaalsContact O-N 3.14Å; Q192-L217 HydrophobicContact CB-CD1 3.8Å; Q192-S218 PolarHBondContact O-N 2.87Å; Q192-Y219 HydrophobicContact CG-CD2 4.06Å |
| 193 | G | 97.3 | Very high | 96.7 | Very high | 13 Ų | 13 | 42.5 Ų | 42.5 | 13% | 0.134 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 154.7 | -149.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F190 N216 | F190-G193 PolarHBondContact N-O 3.31Å; F190-G193 PolarHBondContact O-N 2.97Å; F190-G193 VanDerWaalsContact O-N 3.12Å; G193-N216 CarbonylContact C-O 3.48Å; G193-N216 VanDerWaalsContact CA-O 3.27Å; G193-N216 WeakPolarHBondContact CA-O 3.38Å |
| 194 | F | 98 | Very high | 96.6 | Very high | 82 Ų | 82 | 41.5 Ų | 41.5 | 36% | 0.36 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 156.6 | -177.6 | 62.6 | -92.1 | 0 | 0 | 0 | 112.5 | T187 L188 F215 N216 | T187-F194 HydrophobicContact CG2-CB 4.21Å; T187-F194 HydrophobicContact CG2-CD2 4.35Å; L188-F194 CarbonylContact O-C 3.59Å; L188-F194 WeakPolarHBondContact O-CA 3.45Å; L188-F194 WeakPolarHBondContact O-CB 3.4Å; F194-F215 CarbonylContact O-C 3.45Å; F194-F215 WeakPolarHBondContact O-CA 3.38Å; F194-F215 WeakPolarHBondContact O-CB 3.38Å; F194-N216 HydrophobicContact CD1-CB 4.08Å; F194-N216 HydrophobicContact CE1-CB 3.61Å; F194-N216 HydrophobicContact CE2-CB 4.34Å; F194-N216 HydrophobicContact CZ-CB 3.75Å; F194-N216 PolarHBondContact N-O 2.81Å; F194-N216 PolarHBondContact O-N 3.47Å |
| 195 | I | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 130.2 | 170.3 | -58 | 163.2 | 0 | 0 | 0 | 107.9 | L153 I155 I168 T187 L188 F190 F197 V213 S214 F215 L262 | L153-I195 HydrophobicContact CD1-CD1 4.42Å; I155-I195 HydrophobicContact CD1-CD1 4.21Å; I155-I195 HydrophobicContact CD1-CG1 4.43Å; I168-I195 HydrophobicContact CD1-CD1 4.04Å; I168-I195 HydrophobicContact CG1-CD1 3.93Å; T187-I195 CarbonylContact C-O 3.59Å; T187-I195 VanDerWaalsContact CA-O 3.3Å; T187-I195 WeakPolarHBondContact CA-O 3.27Å; L188-I195 PolarHBondContact N-O 2.86Å; L188-I195 PolarHBondContact O-N 3.25Å; F190-I195 HydrophobicContact CE1-CD1 4.01Å; F190-I195 HydrophobicContact CE1-CG1 3.96Å; F190-I195 HydrophobicContact CZ-CD1 4.42Å; F190-I195 HydrophobicContact CZ-CG1 4.22Å; I195-F197 HydrophobicContact CB-CE2 4.28Å; I195-F197 HydrophobicContact CG2-CD2 4.1Å; I195-F197 HydrophobicContact CG2-CE1 4.35Å; I195-F197 HydrophobicContact CG2-CE2 3.51Å; I195-F197 HydrophobicContact CG2-CZ 3.66Å; I195-V213 HydrophobicContact CG2-CG1 4.26Å; I195-S214 CarbonylContact C-O 3.53Å; I195-S214 WeakPolarHBondContact CA-O 3.5Å; I195-F215 HydrophobicContact CB-CB 4.26Å; I195-F215 HydrophobicContact CG1-CB 3.74Å; I195-F215 HydrophobicContact CG2-CB 4.39Å; I195-L262 HydrophobicContact CD1-CD1 4.03Å; I195-L262 HydrophobicContact CG2-CD2 4.21Å |
| 196 | T | 97.9 | Very high | 96.2 | Very high | 26 Ų | 26 | 49.2 Ų | 49.2 | 16% | 0.16 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 120.8 | 175.3 | -60.8 | 0 | 0 | 0 | 0 | 110.5 | L186 T187 V213 S214 | L186-T196 CarbonylContact O-C 3.51Å; L186-T196 WeakPolarHBondContact O-CA 3.21Å; T187-T196 WeakPolarHBondContact OG1-CG2 3.32Å; T187-T196 PolarHBondContact OG1-OG1 3.05Å; T196-V213 WeakPolarHBondContact O-CA 3.44Å; T196-S214 PolarHBondContact N-O 2.73Å; T196-S214 PolarHBondContact O-N 3.4Å |
| 197 | F | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 128.7 | 170.7 | -58.1 | -90.6 | 0 | 0 | 0 | 109 | M151 L153 N185 L186 L188 I195 F199 L210 V213 L262 | M151-F197 HydrophobicContact CE-CE2 4.24Å; M151-F197 HydrophobicContact CE-CZ 4.29Å; M151-F197 HydrophobicContact SD-CZ 4.24Å; L153-F197 HydrophobicContact CD1-CZ 4.33Å; L153-F197 HydrophobicContact CD2-CZ 4.22Å; N185-F197 CarbonylContact C-O 3.58Å; N185-F197 VanDerWaalsContact CA-O 3.28Å; N185-F197 WeakPolarHBondContact CA-O 3.5Å; L186-F197 HydrophobicContact CB-CB 4.37Å; L186-F197 HydrophobicContact CD2-CD2 4.24Å; L186-F197 HydrophobicContact CG-CD2 4.41Å; L186-F197 PolarHBondContact N-O 3.23Å; L186-F197 PolarHBondContact O-N 3.03Å; L188-F197 HydrophobicContact CD1-CE2 3.95Å; L188-F197 HydrophobicContact CG-CE2 4.28Å; I195-F197 HydrophobicContact CB-CE2 4.28Å; I195-F197 HydrophobicContact CG2-CD2 4.1Å; I195-F197 HydrophobicContact CG2-CE1 4.35Å; I195-F197 HydrophobicContact CG2-CE2 3.51Å; I195-F197 HydrophobicContact CG2-CZ 3.66Å; F197-F199 HydrophobicContact CB-CD2 4.38Å; F197-F199 HydrophobicContact CB-CE2 3.59Å; F197-F199 HydrophobicContact CB-CZ 4.08Å; F197-L210 HydrophobicContact CB-CD1 3.75Å; F197-L210 HydrophobicContact CD1-CD1 3.96Å; F197-L210 HydrophobicContact CD1-CD2 4.32Å; F197-L210 HydrophobicContact CG-CD1 4.37Å; F197-V213 HydrophobicContact CD1-CG1 4.39Å; F197-V213 HydrophobicContact CD1-CG2 3.89Å; F197-V213 HydrophobicContact CE1-CG1 4.38Å; F197-V213 HydrophobicContact CE1-CG2 4.34Å; F197-L262 HydrophobicContact CE1-CD2 3.78Å; F197-L262 HydrophobicContact CZ-CD2 3.86Å |
| 198 | L | 97.2 | Very high | 96 | Very high | 56 Ų | 56 | 49.7 Ų | 49.7 | 29% | 0.293 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 115.4 | 176.7 | -177.9 | 67.9 | 0 | 0 | 0 | 109.8 | N185 N211 A212 | N185-L198 HydrophobicContact CB-CD1 4.19Å; L198-N211 PolarHBondContact O-N 2.62Å; L198-A212 HydrophobicContact CB-CB 4.14Å; L198-A212 HydrophobicContact CD2-CB 4.28Å; L198-A212 PolarHBondContact N-O 2.78Å; L198-A212 PolarHBondContact O-N 3.38Å |
| 199 | F | 97 | Very high | 95.9 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 139.1 | 178.5 | -61.7 | -92 | 0 | 0 | 0 | 110.8 | L147 K183 A184 L186 F197 Y209 L210 L269 A271 F272 | L147-F199 HydrophobicContact CD1-CD2 3.68Å; L147-F199 HydrophobicContact CD1-CE2 3.78Å; L147-F199 HydrophobicContact CD1-CG 4.47Å; K183-F199 WeakPolarHBondContact CA-O 3.27Å; A184-F199 HydrophobicContact CB-CB 4.37Å; A184-F199 PolarHBondContact N-O 2.98Å; A184-F199 PolarHBondContact O-N 2.9Å; L186-F199 HydrophobicContact CB-CE2 4.35Å; F197-F199 HydrophobicContact CB-CD2 4.38Å; F197-F199 HydrophobicContact CB-CE2 3.59Å; F197-F199 HydrophobicContact CB-CZ 4.08Å; F199-Y209 CarbonylContact C-O 3.53Å; F199-Y209 VanDerWaalsContact CA-O 3.27Å; F199-Y209 WeakPolarHBondContact CA-O 3.34Å; F199-L210 HydrophobicContact CD1-CB 4.31Å; F199-L210 HydrophobicContact CD1-CD1 4.35Å; F199-L210 HydrophobicContact CE1-CB 4.15Å; F199-L210 HydrophobicContact CE1-CD1 4.06Å; F199-L210 HydrophobicContact CE2-CD1 4.31Å; F199-L210 HydrophobicContact CZ-CD1 4.03Å; F199-L269 HydrophobicContact CE1-CD2 4.17Å; F199-L269 HydrophobicContact CZ-CD2 3.76Å; F199-A271 HydrophobicContact CB-CB 4.39Å; F199-A271 HydrophobicContact CD1-CB 4.46Å; F199-A271 HydrophobicContact CG-CB 4.34Å; F199-F272 HydrophobicContact CB-CE2 4.17Å; F199-F272 HydrophobicContact CB-CZ 4.26Å |
| 200 | N | 96.4 | Very high | 95.8 | Very high | 26 Ų | 26 | 48.8 Ų | 48.8 | 14% | 0.139 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 149.3 | 170.2 | -75.4 | -0.3 | 0 | 0 | 0 | 110 | T182 A208 Y209 N211 | T182-N200 CarbonylContact O-C 3.59Å; T182-N200 WeakPolarHBondContact O-CA 3.43Å; N200-A208 WeakPolarHBondContact O-CA 3.3Å; N200-Y209 HydrophobicContact CB-CE1 4.01Å; N200-Y209 HydrophobicContact CB-CE2 4.01Å; N200-Y209 PolarHBondContact N-O 2.8Å; N200-Y209 WeakPolarHBondContact O-CD1 3.38Å; N200-Y209 PolarHBondContact O-N 2.98Å; N200-N211 HydrophobicContact CB-CB 4.13Å; N200-N211 VanDerWaalsContact ND2-CG 3.29Å; N200-N211 PolarHBondContact ND2-OD1 2.75Å |
| 201 | K | 95.6 | Very high | 95.7 | Very high | 65 Ų | 65 | 50 Ų | 50 | 28% | 0.283 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 120.6 | 169.4 | 176.1 | 176.1 | 177.9 | -177.4 | 0 | 109.6 | T182 T207 I243 F272 | T182-K201 PolarHBondContact O-N 2.87Å; K201-T207 CarbonylContact C-O 3.57Å; K201-T207 WeakPolarHBondContact CA-O 3.43Å; K201-I243 HydrophobicContact CD-CD1 3.8Å; K201-I243 HydrophobicContact CD-CG1 4.36Å; K201-I243 HydrophobicContact CG-CD1 3.84Å; K201-I243 HydrophobicContact CG-CG1 4.36Å; K201-F272 HydrophobicContact CB-CD1 4.38Å; K201-F272 HydrophobicContact CB-CD2 4.06Å; K201-F272 HydrophobicContact CB-CE1 4.16Å; K201-F272 HydrophobicContact CB-CE2 3.81Å; K201-F272 HydrophobicContact CB-CG 4.34Å; K201-F272 HydrophobicContact CB-CZ 3.86Å; K201-F272 HydrophobicContact CD-CG 4.39Å |
| 202 | S | 94.8 | Very high | 95.7 | Very high | 26 Ų | 26 | 42.3 Ų | 42.3 | 18% | 0.182 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 115 | 166.8 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | N205 N206 T207 | S202-N205 PolarHBondContact OG-N 2.81Å; S202-N206 VanDerWaalsContact O-CA 3.27Å; S202-N206 WeakPolarHBondContact O-CA 3.43Å; S202-N206 PolarHBondContact O-N 2.87Å; S202-T207 PolarHBondContact N-O 2.84Å; S202-T207 PolarHBondContact O-N 2.96Å |
| 203 | V | 90 | Very high | 95.8 | Very high | 112 Ų | 112 | 39.4 Ų | 39.4 | 68% | 0.679 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -38.9 | 176.2 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | N205 N206 | V203-N205 PolarHBondContact O-N 2.86Å; V203-N206 PolarHBondContact O-N 2.86Å |
| 204 | A | 92.1 | Very high | 95.7 | Very high | 94 Ų | 94 | 40.2 Ų | 40.2 | 78% | 0.777 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -41.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 205 | N | 91.1 | Very high | 95.6 | Very high | 115 Ų | 115 | 36.4 Ų | 36.4 | 62% | 0.615 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -5.9 | -176.4 | -59 | -23.3 | 0 | 0 | 0 | 112.7 | S202 V203 T207 | S202-N205 PolarHBondContact OG-N 2.81Å; V203-N205 PolarHBondContact O-N 2.86Å; N205-T207 HydrophobicContact CB-CG2 4.22Å; N205-T207 PolarHBondContact O-N 2.96Å |
| 206 | N | 94.4 | Very high | 95.6 | Very high | 87 Ų | 87 | 38.7 Ų | 38.7 | 47% | 0.465 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 44.8 | -171.6 | -166.7 | 38.6 | 0 | 0 | 0 | 112.5 | S202 V203 I243 | S202-N206 VanDerWaalsContact O-CA 3.27Å; S202-N206 WeakPolarHBondContact O-CA 3.43Å; S202-N206 PolarHBondContact O-N 2.87Å; V203-N206 PolarHBondContact O-N 2.86Å; N206-I243 WeakPolarHBondContact O-CG1 3.27Å; N206-I243 PolarHBondContact O-N 2.89Å; N206-I243 WeakPolarHBondContact OD1-CB 3.48Å; N206-I243 WeakPolarHBondContact OD1-CG1 3.22Å |
| 207 | T | 95.6 | Very high | 95.6 | Very high | 27 Ų | 27 | 37.5 Ų | 37.5 | 17% | 0.166 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 149.1 | -179.8 | 53.7 | 0 | 0 | 0 | 0 | 111.7 | K201 S202 N205 A241 | K201-T207 CarbonylContact C-O 3.57Å; K201-T207 WeakPolarHBondContact CA-O 3.43Å; S202-T207 PolarHBondContact N-O 2.84Å; S202-T207 PolarHBondContact O-N 2.96Å; N205-T207 HydrophobicContact CB-CG2 4.22Å; N205-T207 PolarHBondContact O-N 2.96Å; T207-A241 CarbonylContact C-O 3.58Å; T207-A241 VanDerWaalsContact CA-O 3.27Å; T207-A241 WeakPolarHBondContact CA-O 3.25Å; T207-A241 WeakPolarHBondContact CB-O 3.32Å |
| 208 | A | 96.7 | Very high | 95.5 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 7% | 0.074 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 141.2 | 165 | 0 | 0 | 0 | 0 | 0 | 108.8 | N200 A240 A241 I243 F272 | N200-A208 WeakPolarHBondContact O-CA 3.3Å; A208-A240 VanDerWaalsContact O-CA 3.32Å; A208-A240 WeakPolarHBondContact O-CA 3.23Å; A208-A241 PolarHBondContact N-O 3.18Å; A208-A241 PolarHBondContact O-N 2.99Å; A208-I243 HydrophobicContact CB-CD1 3.88Å; A208-F272 HydrophobicContact CB-CD2 3.65Å; A208-F272 HydrophobicContact CB-CE2 3.8Å |
| 209 | Y | 96.1 | Very high | 95.4 | Very high | 37 Ų | 37 | 40.7 Ų | 40.7 | 15% | 0.145 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 155.6 | 178.5 | 62.4 | -85.8 | 0 | 0 | 0 | 110.9 | F199 N200 N211 H237 | F199-Y209 CarbonylContact C-O 3.53Å; F199-Y209 VanDerWaalsContact CA-O 3.27Å; F199-Y209 WeakPolarHBondContact CA-O 3.34Å; N200-Y209 HydrophobicContact CB-CE1 4.01Å; N200-Y209 HydrophobicContact CB-CE2 4.01Å; N200-Y209 PolarHBondContact N-O 2.8Å; N200-Y209 WeakPolarHBondContact O-CD1 3.38Å; N200-Y209 PolarHBondContact O-N 2.98Å; Y209-N211 HydrophobicContact CD2-CB 4.39Å; Y209-N211 HydrophobicContact CE2-CB 4Å; Y209-N211 PolarHBondContact O-N 3.13Å; Y209-H237 AromaticContact CD1-NE2 3.94Å; Y209-H237 HydrophobicContact CD2-CB 4.47Å; Y209-H237 AromaticContact CD2-CD2 3.45Å; Y209-H237 VanDerWaalsContact CD2-CD2 3.45Å; Y209-H237 WeakPolarHBondContact CD2-CD2 2.89Å; Y209-H237 AromaticContact CD2-CG 3.92Å; Y209-H237 AromaticContact CD2-NE2 3.8Å; Y209-H237 AromaticContact CE2-CD2 3.44Å; Y209-H237 VanDerWaalsContact CE2-CD2 3.44Å; Y209-H237 WeakPolarHBondContact CE2-CD2 3.26Å; Y209-H237 AromaticContact CE2-NE2 3.93Å; Y209-H237 AromaticContact CG-CD2 3.95Å; Y209-H237 AromaticContact CG-NE2 3.78Å; Y209-H237 AromaticContact CZ-CD2 3.95Å |
| 210 | L | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 114.6 | 171.9 | -178.4 | 69.6 | 0 | 0 | 0 | 109.4 | F197 F199 V213 H237 L238 F239 I254 | F197-L210 HydrophobicContact CB-CD1 3.75Å; F197-L210 HydrophobicContact CD1-CD1 3.96Å; F197-L210 HydrophobicContact CD1-CD2 4.32Å; F197-L210 HydrophobicContact CG-CD1 4.37Å; F199-L210 HydrophobicContact CD1-CB 4.31Å; F199-L210 HydrophobicContact CD1-CD1 4.35Å; F199-L210 HydrophobicContact CE1-CB 4.15Å; F199-L210 HydrophobicContact CE1-CD1 4.06Å; F199-L210 HydrophobicContact CE2-CD1 4.31Å; F199-L210 HydrophobicContact CZ-CD1 4.03Å; L210-V213 HydrophobicContact CD1-CG2 3.93Å; L210-V213 HydrophobicContact CD2-CG2 3.36Å; L210-V213 HydrophobicContact CG-CG2 3.9Å; L210-H237 WeakPolarHBondContact O-CA 3.28Å; L210-H237 PolarHBondContact O-N 3.45Å; L210-L238 WeakPolarHBondContact CB-O 3.32Å; L210-L238 HydrophobicContact CD2-CB 4.44Å; L210-L238 PolarHBondContact N-O 2.92Å; L210-L238 PolarHBondContact O-N 2.94Å; L210-F239 HydrophobicContact CB-CB 4.14Å; L210-F239 HydrophobicContact CB-CD2 3.76Å; L210-F239 HydrophobicContact CB-CG 4.23Å; L210-F239 HydrophobicContact CD2-CD2 3.38Å; L210-F239 HydrophobicContact CD2-CE2 3.38Å; L210-F239 HydrophobicContact CD2-CG 4.33Å; L210-F239 HydrophobicContact CD2-CZ 4.36Å; L210-F239 HydrophobicContact CG-CD2 4.1Å; L210-I254 HydrophobicContact CD2-CD1 3.98Å |
| 211 | N | 95.6 | Very high | 95 | Very high | 39 Ų | 39 | 42.3 Ų | 42.3 | 21% | 0.209 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -39.1 | -178.3 | -175.1 | 82.9 | 0 | 0 | 0 | 112.4 | L198 N200 Y209 S235 V236 | L198-N211 PolarHBondContact O-N 2.62Å; N200-N211 HydrophobicContact CB-CB 4.13Å; N200-N211 VanDerWaalsContact ND2-CG 3.29Å; N200-N211 PolarHBondContact ND2-OD1 2.75Å; Y209-N211 HydrophobicContact CD2-CB 4.39Å; Y209-N211 HydrophobicContact CE2-CB 4Å; Y209-N211 PolarHBondContact O-N 3.13Å; N211-S235 VanDerWaalsContact O-CA 3.24Å; N211-S235 WeakPolarHBondContact O-CA 3.48Å; N211-S235 PolarHBondContact O-N 2.85Å; N211-V236 PolarHBondContact O-N 2.73Å; N211-V236 VanDerWaalsContact O-N 3.1Å |
| 212 | A | 96.3 | Very high | 94.7 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 4% | 0.041 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 150.6 | -179 | 0 | 0 | 0 | 0 | 0 | 111.6 | L198 N233 D234 | L198-A212 HydrophobicContact CB-CB 4.14Å; L198-A212 HydrophobicContact CD2-CB 4.28Å; L198-A212 PolarHBondContact N-O 2.78Å; L198-A212 PolarHBondContact O-N 3.38Å; A212-N233 VanDerWaalsContact CA-O 3.26Å; A212-N233 WeakPolarHBondContact CA-O 3.47Å; A212-D234 WeakPolarHBondContact CB-OD1 3.19Å |
| 213 | V | 97 | Very high | 94.2 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 137.4 | 170.9 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | I195 T196 F197 L210 K232 N233 V236 I254 L256 L262 | I195-V213 HydrophobicContact CG2-CG1 4.26Å; T196-V213 WeakPolarHBondContact O-CA 3.44Å; F197-V213 HydrophobicContact CD1-CG1 4.39Å; F197-V213 HydrophobicContact CD1-CG2 3.89Å; F197-V213 HydrophobicContact CE1-CG1 4.38Å; F197-V213 HydrophobicContact CE1-CG2 4.34Å; L210-V213 HydrophobicContact CD1-CG2 3.93Å; L210-V213 HydrophobicContact CD2-CG2 3.36Å; L210-V213 HydrophobicContact CG-CG2 3.9Å; V213-K232 WeakPolarHBondContact O-CA 3.23Å; V213-N233 PolarHBondContact N-O 2.82Å; V213-N233 PolarHBondContact O-N 2.83Å; V213-V236 HydrophobicContact CG2-CG2 4.36Å; V213-I254 HydrophobicContact CG2-CD1 4.19Å; V213-L256 HydrophobicContact CB-CD2 4.4Å; V213-L256 HydrophobicContact CG1-CD2 4.07Å; V213-L262 HydrophobicContact CG1-CD2 3.9Å |
| 214 | S | 96.4 | Very high | 93.8 | Very high | 30 Ų | 30 | 46 Ų | 46 | 21% | 0.21 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 151.6 | 170.3 | 56.2 | 0 | 0 | 0 | 0 | 109.8 | I195 T196 E231 | I195-S214 CarbonylContact C-O 3.53Å; I195-S214 WeakPolarHBondContact CA-O 3.5Å; T196-S214 PolarHBondContact N-O 2.73Å; T196-S214 PolarHBondContact O-N 3.4Å; S214-E231 VanDerWaalsContact CA-O 3.3Å; S214-E231 WeakPolarHBondContact CA-O 3.3Å |
| 215 | F | 96.4 | Very high | 93.5 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 157.1 | 169.9 | 73.9 | -92.2 | 0 | 0 | 0 | 111.1 | I155 F194 I195 L217 S230 E231 L256 L260 | I155-F215 HydrophobicContact CD1-CD2 3.93Å; I155-F215 HydrophobicContact CD1-CE2 4.23Å; I155-F215 HydrophobicContact CD1-CG 4.22Å; I155-F215 HydrophobicContact CG2-CE2 4.28Å; I155-F215 HydrophobicContact CG2-CZ 4.14Å; F194-F215 CarbonylContact O-C 3.45Å; F194-F215 WeakPolarHBondContact O-CA 3.38Å; F194-F215 WeakPolarHBondContact O-CB 3.38Å; I195-F215 HydrophobicContact CB-CB 4.26Å; I195-F215 HydrophobicContact CG1-CB 3.74Å; I195-F215 HydrophobicContact CG2-CB 4.39Å; F215-L217 HydrophobicContact CD2-CB 3.93Å; F215-L217 HydrophobicContact CE2-CB 3.98Å; F215-S230 WeakPolarHBondContact O-CA 3.34Å; F215-E231 HydrophobicContact CE1-CB 3.95Å; F215-E231 HydrophobicContact CE1-CG 4.49Å; F215-E231 HydrophobicContact CZ-CB 4.23Å; F215-E231 HydrophobicContact CZ-CG 4.33Å; F215-E231 PolarHBondContact N-O 3.47Å; F215-E231 PolarHBondContact O-N 2.88Å; F215-L256 HydrophobicContact CD1-CD1 4.19Å; F215-L256 HydrophobicContact CD1-CD2 3.59Å; F215-L256 HydrophobicContact CD1-CG 4.38Å; F215-L256 HydrophobicContact CE1-CB 4.15Å; F215-L256 HydrophobicContact CE1-CD1 3.87Å; F215-L256 HydrophobicContact CE1-CD2 3.78Å; F215-L256 HydrophobicContact CE1-CG 4.14Å; F215-L260 HydrophobicContact CE1-CB 4.45Å; F215-L260 HydrophobicContact CZ-CB 4.08Å; F215-L260 HydrophobicContact CZ-CD1 3.99Å; F215-L260 HydrophobicContact CZ-CD2 4.06Å; F215-L260 HydrophobicContact CZ-CG 4.24Å |
| 216 | N | 97.1 | Very high | 93.6 | Very high | 48 Ų | 48 | 42.4 Ų | 42.4 | 26% | 0.257 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 132.1 | 165.6 | -165.2 | -66.3 | 0 | 0 | 0 | 108 | G193 F194 Y229 | G193-N216 CarbonylContact C-O 3.48Å; G193-N216 VanDerWaalsContact CA-O 3.27Å; G193-N216 WeakPolarHBondContact CA-O 3.38Å; F194-N216 HydrophobicContact CD1-CB 4.08Å; F194-N216 HydrophobicContact CE1-CB 3.61Å; F194-N216 HydrophobicContact CE2-CB 4.34Å; F194-N216 HydrophobicContact CZ-CB 3.75Å; F194-N216 PolarHBondContact N-O 2.81Å; F194-N216 PolarHBondContact O-N 3.47Å; N216-Y229 CarbonylContact C-O 3.57Å; N216-Y229 WeakPolarHBondContact CA-O 3.22Å |
| 217 | L | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 123.9 | -179 | 178.8 | 68.7 | 0 | 0 | 0 | 110.1 | I155 F166 F190 Q192 F215 L221 K228 Y229 | I155-L217 HydrophobicContact CD1-CD2 4.1Å; I155-L217 HydrophobicContact CG2-CD2 4.24Å; F166-L217 HydrophobicContact CB-CD2 4.01Å; F166-L217 HydrophobicContact CD1-CD1 3.71Å; F166-L217 HydrophobicContact CD1-CD2 4.27Å; F166-L217 HydrophobicContact CD2-CD1 4.35Å; F166-L217 HydrophobicContact CE1-CD1 3.8Å; F166-L217 HydrophobicContact CE2-CD1 4.44Å; F166-L217 HydrophobicContact CG-CD1 3.99Å; F166-L217 HydrophobicContact CG-CD2 4.19Å; F166-L217 HydrophobicContact CZ-CD1 4.18Å; F190-L217 HydrophobicContact CE2-CD1 3.89Å; Q192-L217 HydrophobicContact CB-CD1 3.8Å; F215-L217 HydrophobicContact CD2-CB 3.93Å; F215-L217 HydrophobicContact CE2-CB 3.98Å; L217-L221 HydrophobicContact CD2-CD1 3.94Å; L217-L221 HydrophobicContact CD2-CG 4.33Å; L217-K228 CarbonylContact O-C 3.56Å; L217-K228 WeakPolarHBondContact O-CA 3.32Å; L217-Y229 HydrophobicContact CD2-CD2 4.37Å; L217-Y229 PolarHBondContact N-O 2.83Å; L217-Y229 PolarHBondContact O-N 2.92Å |
| 218 | S | 96.9 | Very high | 93.4 | Very high | 44 Ų | 44 | 48.6 Ų | 48.6 | 31% | 0.308 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 95.2 | 169.5 | -175.4 | 0 | 0 | 0 | 0 | 109.4 | Q192 T226 Q227 | Q192-S218 PolarHBondContact O-N 2.87Å; S218-T226 WeakPolarHBondContact OG-CG2 3.35Å; S218-Q227 CarbonylContact C-O 3.54Å; S218-Q227 WeakPolarHBondContact CA-O 3.44Å |
| 219 | Y | 94.8 | Very high | 93.3 | Very high | 80 Ų | 80 | 49.1 Ų | 49.1 | 31% | 0.314 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 147.1 | -173.3 | -168.1 | -99.7 | 0 | 0 | 0 | 111.9 | F166 Q192 L221 Q227 Y229 | F166-Y219 HydrophobicContact CB-CD1 4.28Å; F166-Y219 HydrophobicContact CB-CE1 4.48Å; F166-Y219 AromaticContact CD2-CD1 3.98Å; F166-Y219 HydrophobicContact CD2-CD1 3.98Å; F166-Y219 AromaticContact CD2-CD2 3.59Å; F166-Y219 HydrophobicContact CD2-CD2 3.59Å; F166-Y219 HydrophobicContact CD2-CE1 4.04Å; F166-Y219 AromaticContact CD2-CE2 3.65Å; F166-Y219 HydrophobicContact CD2-CE2 3.65Å; F166-Y219 AromaticContact CD2-CG 3.76Å; F166-Y219 HydrophobicContact CD2-CG 3.76Å; F166-Y219 AromaticContact CD2-CZ 3.87Å; F166-Y219 AromaticContact CE2-CD2 3.78Å; F166-Y219 HydrophobicContact CE2-CD2 3.78Å; F166-Y219 AromaticContact CE2-CE2 3.87Å; F166-Y219 HydrophobicContact CE2-CE2 3.87Å; F166-Y219 HydrophobicContact CE2-CG 4.33Å; F166-Y219 HydrophobicContact CG-CG 4.47Å; Q192-Y219 HydrophobicContact CG-CD2 4.06Å; Y219-L221 VanDerWaalsContact C-N 3.3Å; Y219-L221 HydrophobicContact CD1-CD2 3.72Å; Y219-L221 HydrophobicContact CD1-CG 3.97Å; Y219-L221 HydrophobicContact CE1-CD2 4.21Å; Y219-L221 PolarHBondContact O-N 2.79Å; Y219-Q227 PolarHBondContact N-O 2.99Å; Y219-Q227 PolarHBondContact O-N 3.17Å; Y219-Y229 WeakPolarHBondContact O-CE2 3.02Å |
| 220 | P | 93.8 | Very high | 93.2 | Very high | 58 Ų | 58 | 51.3 Ų | 51.3 | 38% | 0.377 | 29% | 0.293 | S | S | . | . | trans | -77.4 | 77.1 | 172.4 | 32.4 | -35.9 | 0 | 0 | 0 | 111 | T222 G225 | P220-T222 PolarHBondContact O-N 3.24Å; P220-G225 WeakPolarHBondContact CA-O 3.33Å; P220-G225 WeakPolarHBondContact CB-O 3.29Å | ||
| 221 | L | 91.3 | Very high | 93.1 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | trans | -71.3 | -19.5 | 173.9 | -71.7 | 177.2 | 0 | 0 | 0 | 112.4 | L157 G164 F166 L217 Y219 Y229 L260 | L157-L221 HydrophobicContact CB-CB 4.37Å; L157-L221 HydrophobicContact CB-CD1 3.87Å; L157-L221 HydrophobicContact CD2-CB 3.96Å; L157-L221 HydrophobicContact CD2-CD1 4.39Å; G164-L221 WeakPolarHBondContact CA-O 3.5Å; F166-L221 HydrophobicContact CB-CD2 3.88Å; L217-L221 HydrophobicContact CD2-CD1 3.94Å; L217-L221 HydrophobicContact CD2-CG 4.33Å; Y219-L221 VanDerWaalsContact C-N 3.3Å; Y219-L221 HydrophobicContact CD1-CD2 3.72Å; Y219-L221 HydrophobicContact CD1-CG 3.97Å; Y219-L221 HydrophobicContact CE1-CD2 4.21Å; Y219-L221 PolarHBondContact O-N 2.79Å; L221-Y229 HydrophobicContact CB-CE2 3.91Å; L221-Y229 HydrophobicContact CD1-CD2 3.8Å; L221-Y229 HydrophobicContact CD1-CE2 3.53Å; L221-Y229 HydrophobicContact CD1-CG 4.42Å; L221-Y229 HydrophobicContact CG-CD2 4.41Å; L221-Y229 HydrophobicContact CG-CE2 3.77Å; L221-L260 HydrophobicContact CD1-CD2 4.05Å | ||
| 222 | T | 89.8 | Confident | 93.1 | Very high | 12 Ų | 12 | 56.9 Ų | 56.9 | 7% | 0.074 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -123 | 168.9 | 176.7 | 65.1 | 0 | 0 | 0 | 0 | 110.3 | L157 P220 S224 | L157-T222 HydrophobicContact CD2-CG2 3.6Å; P220-T222 PolarHBondContact O-N 3.24Å; T222-S224 PolarHBondContact O-N 3.31Å |
| 223 | N | 84.4 | Confident | 93 | Very high | 179 Ų | 179 | 59 Ų | 59 | 96% | 0.957 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 4.5 | 178 | -65 | -28.9 | 0 | 0 | 0 | 113.9 | G225 | N223-G225 VanDerWaalsContact C-N 3.31Å; N223-G225 PolarHBondContact O-N 3.42Å |
| 224 | S | 81.2 | Confident | 92.5 | Very high | 89 Ų | 89 | 62.9 Ų | 62.9 | 62% | 0.622 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 16.5 | -177.5 | -53.8 | 0 | 0 | 0 | 0 | 114 | T222 | T222-S224 PolarHBondContact O-N 3.31Š|
| 225 | G | 86.3 | Confident | 91.8 | Very high | 37 Ų | 37 | 65.9 Ų | 65.9 | 38% | 0.381 | 37% | 0.368 | S | S | . | . | trans | 81.9 | -171.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P220 N223 Q227 | P220-G225 WeakPolarHBondContact CA-O 3.33Å; P220-G225 WeakPolarHBondContact CB-O 3.29Å; N223-G225 VanDerWaalsContact C-N 3.31Å; N223-G225 PolarHBondContact O-N 3.42Å; G225-Q227 PolarHBondContact O-N 3.06Å | ||
| 226 | T | 91.7 | Very high | 91.3 | Very high | 98 Ų | 98 | 66.9 Ų | 66.9 | 60% | 0.601 | 38% | 0.375 | S | S | * | . | trans | -69.2 | 121.7 | -175.9 | -60.6 | 0 | 0 | 0 | 0 | 110.8 | S218 | S218-T226 WeakPolarHBondContact OG-CG2 3.35Š| ||
| 227 | Q | 91.5 | Very high | 90.9 | Very high | 68 Ų | 68 | 69.8 Ų | 69.8 | 32% | 0.318 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 156 | 178 | -68.5 | -179.6 | -10.2 | 0 | 0 | 110.6 | S218 Y219 G225 Y229 | S218-Q227 CarbonylContact C-O 3.54Å; S218-Q227 WeakPolarHBondContact CA-O 3.44Å; Y219-Q227 PolarHBondContact N-O 2.99Å; Y219-Q227 PolarHBondContact O-N 3.17Å; G225-Q227 PolarHBondContact O-N 3.06Å; Q227-Y229 HydrophobicContact CB-CE1 4.35Å; Q227-Y229 HydrophobicContact CB-CE2 3.88Å; Q227-Y229 PolarHBondContact OE1-OH 3Å |
| 228 | K | 94.3 | Very high | 90.7 | Very high | 175 Ų | 175 | 71.6 Ų | 71.6 | 76% | 0.761 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 126.7 | 173.4 | -66.6 | -177.3 | -179.3 | 179 | 0 | 109.6 | L217 | L217-K228 CarbonylContact O-C 3.56Å; L217-K228 WeakPolarHBondContact O-CA 3.32Å |
| 229 | Y | 94.3 | Very high | 90.5 | Very high | 21 Ų | 21 | 69.9 Ų | 69.9 | 8% | 0.082 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129.7 | 174.8 | -53.7 | -79.1 | 0 | 0 | 0 | 108.1 | L157 N216 L217 Y219 L221 Q227 L260 | L157-Y229 HydrophobicContact CD2-CE1 4.17Å; N216-Y229 CarbonylContact C-O 3.57Å; N216-Y229 WeakPolarHBondContact CA-O 3.22Å; L217-Y229 HydrophobicContact CD2-CD2 4.37Å; L217-Y229 PolarHBondContact N-O 2.83Å; L217-Y229 PolarHBondContact O-N 2.92Å; Y219-Y229 WeakPolarHBondContact O-CE2 3.02Å; L221-Y229 HydrophobicContact CB-CE2 3.91Å; L221-Y229 HydrophobicContact CD1-CD2 3.8Å; L221-Y229 HydrophobicContact CD1-CE2 3.53Å; L221-Y229 HydrophobicContact CD1-CG 4.42Å; L221-Y229 HydrophobicContact CG-CD2 4.41Å; L221-Y229 HydrophobicContact CG-CE2 3.77Å; Q227-Y229 HydrophobicContact CB-CE1 4.35Å; Q227-Y229 HydrophobicContact CB-CE2 3.88Å; Q227-Y229 PolarHBondContact OE1-OH 3Å; Y229-L260 HydrophobicContact CD1-CD1 3.86Å; Y229-L260 HydrophobicContact CG-CD1 4.21Å |
| 230 | S | 95.1 | Very high | 90.5 | Very high | 82 Ų | 82 | 68.3 Ų | 68.3 | 57% | 0.573 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 98 | 179.8 | -174.4 | 0 | 0 | 0 | 0 | 108.7 | F215 | F215-S230 WeakPolarHBondContact O-CA 3.34Å |
| 231 | E | 95.3 | Very high | 90.7 | Very high | 40 Ų | 40 | 65.9 Ų | 65.9 | 19% | 0.187 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 155.9 | -175.8 | -61 | -60.6 | 158.8 | 0 | 0 | 111 | S214 F215 L256 N258 L260 | S214-E231 VanDerWaalsContact CA-O 3.3Å; S214-E231 WeakPolarHBondContact CA-O 3.3Å; F215-E231 HydrophobicContact CE1-CB 3.95Å; F215-E231 HydrophobicContact CE1-CG 4.49Å; F215-E231 HydrophobicContact CZ-CB 4.23Å; F215-E231 HydrophobicContact CZ-CG 4.33Å; F215-E231 PolarHBondContact N-O 3.47Å; F215-E231 PolarHBondContact O-N 2.88Å; E231-L256 HydrophobicContact CB-CB 3.73Å; E231-L256 HydrophobicContact CB-CD2 4.48Å; E231-N258 PolarHBondContact OE1-ND2 3.25Å; E231-L260 HydrophobicContact CG-CB 4.41Å; E231-L260 HydrophobicContact CG-CD1 3.56Å |
| 232 | K | 94.4 | Very high | 90.9 | Very high | 117 Ų | 117 | 71.6 Ų | 71.6 | 51% | 0.509 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 132.3 | -179.3 | -178 | 175.6 | -166.6 | -132.5 | 0 | 109.9 | V213 D234 | V213-K232 WeakPolarHBondContact O-CA 3.23Å; K232-D234 WeakPolarHBondContact CD-OD2 3.29Å; K232-D234 VanDerWaalsContact CE-CG 3.45Å; K232-D234 WeakPolarHBondContact CE-OD1 3.25Å; K232-D234 VanDerWaalsContact CE-OD2 3.28Å; K232-D234 WeakPolarHBondContact CE-OD2 3.48Å; K232-D234 IonicContact NZ-OD1 3.75Å; K232-D234 PolarHBondContact NZ-OD1 3.32Å; K232-D234 IonicContact NZ-OD2 3.75Å; K232-D234 PolarHBondContact NZ-OD2 3.1Å |
| 233 | N | 94.3 | Very high | 91.2 | Very high | 48 Ų | 48 | 72.1 Ų | 72.1 | 26% | 0.257 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 108.6 | 167.6 | -170.5 | -26.4 | 0 | 0 | 0 | 108.5 | A212 V213 V236 F255 | A212-N233 VanDerWaalsContact CA-O 3.26Å; A212-N233 WeakPolarHBondContact CA-O 3.47Å; V213-N233 PolarHBondContact N-O 2.82Å; V213-N233 PolarHBondContact O-N 2.83Å; N233-V236 HydrophobicContact CB-CG2 3.98Å; N233-V236 WeakPolarHBondContact O-CG2 3.27Å; N233-F255 PolarHBondContact ND2-O 3.05Å |
| 234 | D | 87 | Confident | 91.6 | Very high | 83 Ų | 83 | 64.5 Ų | 64.5 | 44% | 0.444 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 120.8 | 171.9 | -72.3 | -48.6 | 0 | 0 | 0 | 108.6 | A212 K232 | A212-D234 WeakPolarHBondContact CB-OD1 3.19Å; K232-D234 WeakPolarHBondContact CD-OD2 3.29Å; K232-D234 VanDerWaalsContact CE-CG 3.45Å; K232-D234 WeakPolarHBondContact CE-OD1 3.25Å; K232-D234 VanDerWaalsContact CE-OD2 3.28Å; K232-D234 WeakPolarHBondContact CE-OD2 3.48Å; K232-D234 IonicContact NZ-OD1 3.75Å; K232-D234 PolarHBondContact NZ-OD1 3.32Å; K232-D234 IonicContact NZ-OD2 3.75Å; K232-D234 PolarHBondContact NZ-OD2 3.1Å |
| 235 | S | 82.2 | Confident | 92.4 | Very high | 94 Ų | 94 | 62.8 Ų | 62.8 | 66% | 0.657 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 95.7 | 38.9 | -180 | -37 | 0 | 0 | 0 | 0 | 116 | N211 H237 | N211-S235 VanDerWaalsContact O-CA 3.24Å; N211-S235 WeakPolarHBondContact O-CA 3.48Å; N211-S235 PolarHBondContact O-N 2.85Å; S235-H237 VanDerWaalsContact C-N 3.3Å; S235-H237 PolarHBondContact O-N 2.83Å |
| 236 | V | 85 | Confident | 92.9 | Very high | 24 Ų | 24 | 61 Ų | 61 | 15% | 0.145 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | -28.5 | 178.4 | -145.7 | 0 | 0 | 0 | 0 | 112.1 | N211 V213 N233 L238 I254 | N211-V236 PolarHBondContact O-N 2.73Å; N211-V236 VanDerWaalsContact O-N 3.1Å; V213-V236 HydrophobicContact CG2-CG2 4.36Å; N233-V236 HydrophobicContact CB-CG2 3.98Å; N233-V236 WeakPolarHBondContact O-CG2 3.27Å; V236-L238 HydrophobicContact CB-CD1 4.34Å; V236-L238 HydrophobicContact CB-CG 4.19Å; V236-L238 HydrophobicContact CG1-CD1 3.34Å; V236-L238 HydrophobicContact CG1-CG 3.6Å; V236-L238 VanDerWaalsContact O-CG 3.31Å; V236-L238 WeakPolarHBondContact O-CG 3.41Å; V236-L238 PolarHBondContact O-N 3Å; V236-L238 VanDerWaalsContact O-N 3.11Å; V236-I254 HydrophobicContact CG1-CG2 3.68Å; V236-I254 HydrophobicContact CG2-CG2 4.5Å |
| 237 | H | 89.7 | Confident | 93.2 | Very high | 108 Ų | 108 | 56.9 Ų | 56.9 | 50% | 0.5 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 37.5 | 49.8 | -176.2 | -159.6 | -71.5 | 0 | 0 | 0 | 113.7 | Y209 L210 S235 | Y209-H237 AromaticContact CD1-NE2 3.94Å; Y209-H237 HydrophobicContact CD2-CB 4.47Å; Y209-H237 AromaticContact CD2-CD2 3.45Å; Y209-H237 VanDerWaalsContact CD2-CD2 3.45Å; Y209-H237 WeakPolarHBondContact CD2-CD2 2.89Å; Y209-H237 AromaticContact CD2-CG 3.92Å; Y209-H237 AromaticContact CD2-NE2 3.8Å; Y209-H237 AromaticContact CE2-CD2 3.44Å; Y209-H237 VanDerWaalsContact CE2-CD2 3.44Å; Y209-H237 WeakPolarHBondContact CE2-CD2 3.26Å; Y209-H237 AromaticContact CE2-NE2 3.93Å; Y209-H237 AromaticContact CG-CD2 3.95Å; Y209-H237 AromaticContact CG-NE2 3.78Å; Y209-H237 AromaticContact CZ-CD2 3.95Å; L210-H237 WeakPolarHBondContact O-CA 3.28Å; L210-H237 PolarHBondContact O-N 3.45Å; S235-H237 VanDerWaalsContact C-N 3.3Å; S235-H237 PolarHBondContact O-N 2.83Å |
| 238 | L | 91.7 | Very high | 93.4 | Very high | 38 Ų | 38 | 55.4 Ų | 55.4 | 20% | 0.199 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 178.1 | 178.9 | -63.8 | -179.6 | 0 | 0 | 0 | 111.3 | L210 V236 A240 E252 I254 | L210-L238 WeakPolarHBondContact CB-O 3.32Å; L210-L238 HydrophobicContact CD2-CB 4.44Å; L210-L238 PolarHBondContact N-O 2.92Å; L210-L238 PolarHBondContact O-N 2.94Å; V236-L238 HydrophobicContact CB-CD1 4.34Å; V236-L238 HydrophobicContact CB-CG 4.19Å; V236-L238 HydrophobicContact CG1-CD1 3.34Å; V236-L238 HydrophobicContact CG1-CG 3.6Å; V236-L238 VanDerWaalsContact O-CG 3.31Å; V236-L238 WeakPolarHBondContact O-CG 3.41Å; V236-L238 PolarHBondContact O-N 3Å; V236-L238 VanDerWaalsContact O-N 3.11Å; L238-A240 PolarHBondContact O-N 3.1Å; L238-A240 VanDerWaalsContact O-N 3.13Å; L238-E252 HydrophobicContact CD1-CG 4.17Å; L238-I254 HydrophobicContact CD1-CD1 4Å; L238-I254 HydrophobicContact CD1-CG1 3.68Å |
| 239 | F | 93.4 | Very high | 93.5 | Very high | 8 Ų | 8 | 47.2 Ų | 47.2 | 4% | 0.035 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 55.9 | 35.3 | 172.1 | -50.6 | -26.5 | 0 | 0 | 0 | 112.9 | L210 A241 Y247 E252 I254 V264 L269 | L210-F239 HydrophobicContact CB-CB 4.14Å; L210-F239 HydrophobicContact CB-CD2 3.76Å; L210-F239 HydrophobicContact CB-CG 4.23Å; L210-F239 HydrophobicContact CD2-CD2 3.38Å; L210-F239 HydrophobicContact CD2-CE2 3.38Å; L210-F239 HydrophobicContact CD2-CG 4.33Å; L210-F239 HydrophobicContact CD2-CZ 4.36Å; L210-F239 HydrophobicContact CG-CD2 4.1Å; F239-A241 PolarHBondContact O-N 2.04Å; F239-Y247 HydrophobicContact CB-CD1 3.91Å; F239-Y247 HydrophobicContact CB-CE1 4.16Å; F239-Y247 HydrophobicContact CB-CG 4.07Å; F239-Y247 AromaticContact CD1-CD1 3.75Å; F239-Y247 HydrophobicContact CD1-CD1 3.75Å; F239-Y247 AromaticContact CD1-CE1 3.17Å; F239-Y247 HydrophobicContact CD1-CE1 3.17Å; F239-Y247 HydrophobicContact CD1-CE2 4.43Å; F239-Y247 AromaticContact CD1-CZ 3.55Å; F239-Y247 AromaticContact CE1-CE1 3.78Å; F239-Y247 HydrophobicContact CE1-CE1 3.78Å; F239-Y247 HydrophobicContact CG-CD1 4.1Å; F239-Y247 AromaticContact CG-CE1 3.98Å; F239-Y247 HydrophobicContact CG-CE1 3.98Å; F239-E252 HydrophobicContact CE1-CB 3.89Å; F239-E252 HydrophobicContact CE1-CG 3.66Å; F239-E252 HydrophobicContact CZ-CB 4.4Å; F239-E252 HydrophobicContact CZ-CG 4.22Å; F239-I254 HydrophobicContact CE2-CD1 4.1Å; F239-I254 HydrophobicContact CZ-CD1 3.89Å; F239-V264 HydrophobicContact CZ-CB 4.43Å; F239-V264 HydrophobicContact CZ-CG1 4.47Å; F239-V264 HydrophobicContact CZ-CG2 4.19Å; F239-L269 HydrophobicContact CD2-CD2 4.14Å; F239-L269 HydrophobicContact CE2-CD2 4.49Å |
| 240 | A | 94.9 | Very high | 93.5 | Very high | 47 Ų | 47 | 52.4 Ų | 52.4 | 39% | 0.388 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 124.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | A208 L238 | A208-A240 VanDerWaalsContact O-CA 3.32Å; A208-A240 WeakPolarHBondContact O-CA 3.23Å; L238-A240 PolarHBondContact O-N 3.1Å; L238-A240 VanDerWaalsContact O-N 3.13Å |
| 241 | A | 96.4 | Very high | 93.4 | Very high | 7 Ų | 7 | 53.2 Ų | 53.2 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 154.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | T207 A208 F239 D283 | T207-A241 CarbonylContact C-O 3.58Å; T207-A241 VanDerWaalsContact CA-O 3.27Å; T207-A241 WeakPolarHBondContact CA-O 3.25Å; T207-A241 WeakPolarHBondContact CB-O 3.32Å; A208-A241 PolarHBondContact N-O 3.18Å; A208-A241 PolarHBondContact O-N 2.99Å; F239-A241 PolarHBondContact O-N 2.04Å; A241-D283 HydrophobicContact CB-CB 4.36Å |
| 242 | K | 96.5 | Very high | 93.3 | Very high | 128 Ų | 128 | 53.3 Ų | 53.3 | 56% | 0.557 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 148.9 | 172.6 | -69.1 | -179.8 | -179 | 176.8 | 0 | 110.5 | G244 H245 D283 | K242-G244 PolarHBondContact O-N 2.64Å; K242-H245 HydrophobicContact CB-CB 4.26Å; K242-H245 WeakPolarHBondContact O-CB 3.45Å; K242-H245 PolarHBondContact O-N 2.79Å; K242-D283 PolarHBondContact N-OD2 3.44Å; K242-D283 VanDerWaalsContact N-OD2 3.1Å |
| 243 | I | 95.1 | Very high | 93.3 | Very high | 23 Ų | 23 | 50.7 Ų | 50.7 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 125.5 | 176.4 | -65.5 | -70.9 | 0 | 0 | 0 | 109.8 | K201 N206 A208 F272 N273 | K201-I243 HydrophobicContact CD-CD1 3.8Å; K201-I243 HydrophobicContact CD-CG1 4.36Å; K201-I243 HydrophobicContact CG-CD1 3.84Å; K201-I243 HydrophobicContact CG-CG1 4.36Å; N206-I243 WeakPolarHBondContact O-CG1 3.27Å; N206-I243 PolarHBondContact O-N 2.89Å; N206-I243 WeakPolarHBondContact OD1-CB 3.48Å; N206-I243 WeakPolarHBondContact OD1-CG1 3.22Å; A208-I243 HydrophobicContact CB-CD1 3.88Å; I243-F272 HydrophobicContact CD1-CB 4.2Å; I243-F272 HydrophobicContact CD1-CD2 4.15Å; I243-F272 HydrophobicContact CD1-CG 4.49Å; I243-N273 HydrophobicContact CG2-CB 3.58Å |
| 244 | G | 94.3 | Very high | 93.3 | Very high | 20 Ų | 20 | 48.6 Ų | 48.6 | 21% | 0.206 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | -7.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | K242 Q270 G280 | K242-G244 PolarHBondContact O-N 2.64Å; G244-Q270 PolarHBondContact O-NE2 3.06Å; G244-G280 WeakPolarHBondContact O-CA 3.41Å |
| 245 | H | 96.6 | Very high | 93.6 | Very high | 52 Ų | 52 | 50.6 Ų | 50.6 | 24% | 0.241 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -101.3 | 166.2 | 170.9 | -70.3 | -148.6 | 0 | 0 | 0 | 110.3 | K242 Q270 R281 D283 | K242-H245 HydrophobicContact CB-CB 4.26Å; K242-H245 WeakPolarHBondContact O-CB 3.45Å; K242-H245 PolarHBondContact O-N 2.79Å; H245-Q270 VanDerWaalsContact O-CD 3.23Å; H245-Q270 WeakPolarHBondContact O-CG 3.29Å; H245-Q270 PolarHBondContact O-OE1 3.22Å; H245-R281 CarbonylContact C-O 3.45Å; H245-R281 WeakPolarHBondContact CA-O 3.34Å; H245-R281 VanDerWaalsContact CB-O 3.3Å; H245-R281 WeakPolarHBondContact CB-O 3.27Å; H245-D283 WeakPolarHBondContact CB-OD2 3.41Å; H245-D283 IonicContact CE1-OD1 2.76Å; H245-D283 IonicContact CG-OD1 2.8Å; H245-D283 IonicContact CG-OD2 3.38Å; H245-D283 IonicContact ND1-OD1 3.75Å; H245-D283 PolarHBondContact ND1-OD1 3.4Å; H245-D283 IonicContact ND1-OD2 2.7Å; H245-D283 PolarHBondContact ND1-OD2 3.28Å |
| 246 | S | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 133.9 | 172.3 | 64.9 | 0 | 0 | 0 | 0 | 110.1 | R268 L269 G280 R281 P282 D283 | S246-R268 PolarHBondContact OG-NE 2.97Å; S246-L269 CarbonylContact C-O 3.54Å; S246-L269 VanDerWaalsContact CA-O 3.27Å; S246-L269 WeakPolarHBondContact CA-O 3.48Å; S246-G280 PolarHBondContact OG-O 2.97Å; S246-R281 PolarHBondContact N-O 3.27Å; S246-P282 CarbonylContact O-C 3.53Å; S246-P282 VanDerWaalsContact O-CA 3.23Å; S246-P282 WeakPolarHBondContact O-CA 3.41Å; S246-D283 PolarHBondContact O-N 3.15Å |
| 247 | Y | 97.2 | Very high | 94.4 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 145.1 | 164.7 | 175 | -97.9 | 0 | 0 | 0 | 109.9 | F239 C249 E252 N267 R268 L269 C285 | F239-Y247 HydrophobicContact CB-CD1 3.91Å; F239-Y247 HydrophobicContact CB-CE1 4.16Å; F239-Y247 HydrophobicContact CB-CG 4.07Å; F239-Y247 AromaticContact CD1-CD1 3.75Å; F239-Y247 HydrophobicContact CD1-CD1 3.75Å; F239-Y247 AromaticContact CD1-CE1 3.17Å; F239-Y247 HydrophobicContact CD1-CE1 3.17Å; F239-Y247 HydrophobicContact CD1-CE2 4.43Å; F239-Y247 AromaticContact CD1-CZ 3.55Å; F239-Y247 AromaticContact CE1-CE1 3.78Å; F239-Y247 HydrophobicContact CE1-CE1 3.78Å; F239-Y247 HydrophobicContact CG-CD1 4.1Å; F239-Y247 AromaticContact CG-CE1 3.98Å; F239-Y247 HydrophobicContact CG-CE1 3.98Å; Y247-C249 HydrophobicContact CE1-CB 3.67Å; Y247-C249 WeakPolarHBondContact OH-CB 3.37Å; Y247-E252 PolarHBondContact OH-OE2 3.08Å; Y247-N267 WeakPolarHBondContact CD1-OD1 3.46Å; Y247-N267 WeakPolarHBondContact CE1-OD1 3.31Å; Y247-R268 CarbonylContact O-C 3.42Å; Y247-R268 WeakPolarHBondContact O-CA 3.41Å; Y247-L269 HydrophobicContact CD1-CD1 4.2Å; Y247-L269 PolarHBondContact N-O 3.37Å; Y247-L269 PolarHBondContact O-N 3.45Å; Y247-C285 HydrophobicContact CE2-CB 3.67Å; Y247-C285 WeakPolarHBondContact OH-CB 3.29Å |
| 248 | S | 96.6 | Very high | 94.4 | Very high | 37 Ų | 37 | 46.7 Ų | 46.7 | 26% | 0.259 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 131.2 | 176.8 | -167.5 | 0 | 0 | 0 | 0 | 111.1 | N267 D283 P284 C285 | S248-N267 WeakPolarHBondContact CA-O 3.43Å; S248-D283 PolarHBondContact N-O 3.11Å; S248-P284 CarbonylContact O-C 3.56Å; S248-P284 WeakPolarHBondContact O-CA 3.37Å; S248-C285 PolarHBondContact O-N 3.41Å |
| 249 | C | 96 | Very high | 94.4 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.02 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 142.5 | 175.6 | -158.2 | 0 | 0 | 0 | 0 | 111.9 | Y247 N267 C285 D288 | Y247-C249 HydrophobicContact CE1-CB 3.67Å; Y247-C249 WeakPolarHBondContact OH-CB 3.37Å; C249-N267 VanDerWaalsContact CB-OD1 3.29Å; C249-N267 WeakPolarHBondContact CB-OD1 3.27Å; C249-N267 PolarHBondContact N-O 3.26Å; C249-N267 PolarHBondContact N-OD1 2.82Å; C249-N267 PolarHBondContact O-N 3.15Å; C249-N267 PolarHBondContact O-OD1 3.38Å; C249-C285 VanDerWaalsContact CA-SG 3.53Å; C249-C285 HydrophobicContact CB-CB 3.53Å; C249-C285 WeakPolarHBondContact CB-SG 3.33Å; C249-C285 WeakPolarHBondContact SG-CB 3.44Å; C249-C285 CovalentContact SG-SG 2.04Å; C249-C285 PolarHBondContact SG-SG 3.5Å; C249-D288 WeakPolarHBondContact CA-OD2 3.34Å |
| 250 | K | 94.6 | Very high | 94.5 | Very high | 129 Ų | 129 | 45.4 Ų | 45.4 | 56% | 0.561 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | -47.8 | 175.9 | -72.9 | 177.8 | -170.6 | 165.1 | 0 | 113.1 | S265 N266 D288 | K250-S265 CarbonylContact O-C 3.59Å; K250-S265 VanDerWaalsContact O-CA 3.22Å; K250-S265 WeakPolarHBondContact O-CA 3.2Å; K250-N266 PolarHBondContact O-N 3.49Å; K250-D288 WeakPolarHBondContact CD-OD1 3.44Å; K250-D288 PolarHBondContact N-OD2 2.74Å |
| 251 | D | 93.2 | Very high | 94.5 | Very high | 100 Ų | 100 | 43.9 Ų | 43.9 | 54% | 0.535 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 132.5 | -178.5 | -71 | -64.5 | 0 | 0 | 0 | 110 | V264 S265 | D251-V264 CarbonylContact C-O 3.58Å; D251-V264 WeakPolarHBondContact CA-O 3.24Å; D251-S265 VanDerWaalsContact OD1-CB 3.32Å; D251-S265 WeakPolarHBondContact OD1-CB 3.4Å; D251-S265 PolarHBondContact OD1-OG 2.92Å |
| 252 | E | 93.5 | Very high | 94.5 | Very high | 41 Ų | 41 | 43.6 Ų | 43.6 | 19% | 0.192 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 135.5 | 172.5 | -170 | 82.5 | -163.3 | 0 | 0 | 109.3 | L238 F239 Y247 I254 E263 V264 | L238-E252 HydrophobicContact CD1-CG 4.17Å; F239-E252 HydrophobicContact CE1-CB 3.89Å; F239-E252 HydrophobicContact CE1-CG 3.66Å; F239-E252 HydrophobicContact CZ-CB 4.4Å; F239-E252 HydrophobicContact CZ-CG 4.22Å; Y247-E252 PolarHBondContact OH-OE2 3.08Å; E252-I254 HydrophobicContact CG-CG1 4.47Å; E252-E263 WeakPolarHBondContact O-CA 3.02Å; E252-V264 HydrophobicContact CB-CB 4.5Å; E252-V264 PolarHBondContact N-O 2.82Å; E252-V264 PolarHBondContact O-N 3.42Å |
| 253 | S | 93.9 | Very high | 94.5 | Very high | 63 Ų | 63 | 39.2 Ų | 39.2 | 44% | 0.441 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 123.8 | 174.7 | -175.7 | 0 | 0 | 0 | 0 | 110.7 | E263 | S253-E263 WeakPolarHBondContact CB-OE1 3.21Å; S253-E263 WeakPolarHBondContact CB-OE2 3.41Å; S253-E263 VanDerWaalsContact OG-CD 3.25Å; S253-E263 PolarHBondContact OG-OE1 2.92Å |
| 254 | I | 94.6 | Very high | 94.6 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 111.7 | 179.9 | -52.8 | 179.1 | 0 | 0 | 0 | 108.3 | L210 V213 V236 L238 F239 E252 L256 S261 L262 V264 | L210-I254 HydrophobicContact CD2-CD1 3.98Å; V213-I254 HydrophobicContact CG2-CD1 4.19Å; V236-I254 HydrophobicContact CG1-CG2 3.68Å; V236-I254 HydrophobicContact CG2-CG2 4.5Å; L238-I254 HydrophobicContact CD1-CD1 4Å; L238-I254 HydrophobicContact CD1-CG1 3.68Å; F239-I254 HydrophobicContact CE2-CD1 4.1Å; F239-I254 HydrophobicContact CZ-CD1 3.89Å; E252-I254 HydrophobicContact CG-CG1 4.47Å; I254-L256 HydrophobicContact CG2-CD1 4.5Å; I254-L256 VanDerWaalsContact O-CD1 3.23Å; I254-L256 WeakPolarHBondContact O-CD1 3.33Å; I254-S261 CarbonylContact O-C 3.55Å; I254-S261 VanDerWaalsContact O-CA 3.25Å; I254-S261 WeakPolarHBondContact O-CA 3.37Å; I254-L262 HydrophobicContact CB-CB 4.36Å; I254-L262 PolarHBondContact N-O 3.38Å; I254-L262 PolarHBondContact O-N 3.25Å; I254-V264 HydrophobicContact CD1-CG2 4.4Å |
| 255 | F | 93.8 | Very high | 94.6 | Very high | 125 Ų | 125 | 37.6 Ų | 37.6 | 55% | 0.548 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 127.2 | 174.3 | -175.1 | -109.8 | 0 | 0 | 0 | 110.8 | N233 | N233-F255 PolarHBondContact ND2-O 3.05Å |
| 256 | L | 92.4 | Very high | 94.5 | Very high | 10 Ų | 10 | 39 Ų | 39 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | -13.8 | -178.9 | -66 | 102.9 | 0 | 0 | 0 | 114.2 | V213 F215 E231 I254 L260 L262 | V213-L256 HydrophobicContact CB-CD2 4.4Å; V213-L256 HydrophobicContact CG1-CD2 4.07Å; F215-L256 HydrophobicContact CD1-CD1 4.19Å; F215-L256 HydrophobicContact CD1-CD2 3.59Å; F215-L256 HydrophobicContact CD1-CG 4.38Å; F215-L256 HydrophobicContact CE1-CB 4.15Å; F215-L256 HydrophobicContact CE1-CD1 3.87Å; F215-L256 HydrophobicContact CE1-CD2 3.78Å; F215-L256 HydrophobicContact CE1-CG 4.14Å; E231-L256 HydrophobicContact CB-CB 3.73Å; E231-L256 HydrophobicContact CB-CD2 4.48Å; I254-L256 HydrophobicContact CG2-CD1 4.5Å; I254-L256 VanDerWaalsContact O-CD1 3.23Å; I254-L256 WeakPolarHBondContact O-CD1 3.33Å; L256-L260 PolarHBondContact N-O 3.12Å; L256-L262 HydrophobicContact CD1-CB 3.64Å |
| 257 | G | 90.6 | Very high | 94.4 | Very high | 16 Ų | 16 | 39.1 Ų | 39.1 | 17% | 0.165 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 119.6 | 164.4 | -177 | 0 | 0 | 0 | 0 | 0 | 112.6 | G259 L260 | G257-G259 PolarHBondContact O-N 3.14Å; G257-L260 WeakPolarHBondContact O-CB 3.03Å; G257-L260 PolarHBondContact O-N 3.49Å |
| 258 | N | 90.1 | Very high | 94.4 | Very high | 118 Ų | 118 | 42 Ų | 42 | 63% | 0.631 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 27.1 | 174.5 | -63.1 | -35.1 | 0 | 0 | 0 | 115.7 | E231 L260 | E231-N258 PolarHBondContact OE1-ND2 3.25Å; N258-L260 VanDerWaalsContact C-N 3.29Å |
| 259 | G | 91.8 | Very high | 94.4 | Very high | 18 Ų | 18 | 40.6 Ų | 40.6 | 19% | 0.186 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 5.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L157 S158 G257 | L157-G259 CarbonylContact C-O 3.56Å; L157-G259 WeakPolarHBondContact CA-O 3.48Å; S158-G259 PolarHBondContact N-O 3.04Å; S158-G259 VanDerWaalsContact O-CA 3.27Å; S158-G259 WeakPolarHBondContact O-CA 3.36Å; G257-G259 PolarHBondContact O-N 3.14Å |
| 260 | L | 94.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 127.4 | 176.9 | -72 | 152.4 | 0 | 0 | 0 | 110.8 | I155 K156 L157 F215 L221 Y229 E231 L256 G257 N258 | I155-L260 HydrophobicContact CG2-CD2 3.98Å; K156-L260 CarbonylContact O-C 3.54Å; K156-L260 VanDerWaalsContact O-CA 3.32Å; K156-L260 WeakPolarHBondContact O-CA 3.46Å; L157-L260 HydrophobicContact CB-CD2 3.91Å; L157-L260 HydrophobicContact CD1-CD2 3.92Å; L157-L260 HydrophobicContact CD1-CG 3.82Å; L157-L260 HydrophobicContact CG-CD2 4.49Å; F215-L260 HydrophobicContact CE1-CB 4.45Å; F215-L260 HydrophobicContact CZ-CB 4.08Å; F215-L260 HydrophobicContact CZ-CD1 3.99Å; F215-L260 HydrophobicContact CZ-CD2 4.06Å; F215-L260 HydrophobicContact CZ-CG 4.24Å; L221-L260 HydrophobicContact CD1-CD2 4.05Å; Y229-L260 HydrophobicContact CD1-CD1 3.86Å; Y229-L260 HydrophobicContact CG-CD1 4.21Å; E231-L260 HydrophobicContact CG-CB 4.41Å; E231-L260 HydrophobicContact CG-CD1 3.56Å; L256-L260 PolarHBondContact N-O 3.12Å; G257-L260 WeakPolarHBondContact O-CB 3.03Å; G257-L260 PolarHBondContact O-N 3.49Å; N258-L260 VanDerWaalsContact C-N 3.29Å |
| 261 | S | 95.7 | Very high | 94.5 | Very high | 15 Ų | 15 | 34.9 Ų | 34.9 | 11% | 0.105 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 146 | 168.5 | 65.9 | 0 | 0 | 0 | 0 | 111.1 | I155 K156 I254 E263 | I155-S261 WeakPolarHBondContact CA-O 3.41Å; K156-S261 PolarHBondContact N-O 2.92Å; K156-S261 PolarHBondContact O-N 3.43Å; I254-S261 CarbonylContact O-C 3.55Å; I254-S261 VanDerWaalsContact O-CA 3.25Å; I254-S261 WeakPolarHBondContact O-CA 3.37Å; S261-E263 PolarHBondContact OG-OE1 3.24Å |
| 262 | L | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 116.7 | 165.3 | 178.8 | 67.9 | 0 | 0 | 0 | 107.6 | L153 I155 I195 F197 V213 I254 L256 V264 | L153-L262 HydrophobicContact CD2-CD1 4.22Å; I155-L262 HydrophobicContact CG1-CD1 3.9Å; I195-L262 HydrophobicContact CD1-CD1 4.03Å; I195-L262 HydrophobicContact CG2-CD2 4.21Å; F197-L262 HydrophobicContact CE1-CD2 3.78Å; F197-L262 HydrophobicContact CZ-CD2 3.86Å; V213-L262 HydrophobicContact CG1-CD2 3.9Å; I254-L262 HydrophobicContact CB-CB 4.36Å; I254-L262 PolarHBondContact N-O 3.38Å; I254-L262 PolarHBondContact O-N 3.25Å; L256-L262 HydrophobicContact CD1-CB 3.64Å; L262-V264 HydrophobicContact CD2-CG2 4.29Å; L262-V264 HydrophobicContact CG-CG2 4.1Å |
| 263 | E | 95.8 | Very high | 94.3 | Very high | 37 Ų | 37 | 33.2 Ų | 33.2 | 17% | 0.173 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 128 | 177.1 | -52.5 | -78.8 | 150.3 | 0 | 0 | 108.3 | K154 K156 E252 S253 S261 | K154-E263 HydrophobicContact CD-CB 4.13Å; K154-E263 HydrophobicContact CD-CG 4.45Å; K154-E263 HydrophobicContact CG-CB 3.56Å; K154-E263 HydrophobicContact CG-CG 4.07Å; K154-E263 PolarHBondContact N-O 2.87Å; K154-E263 PolarHBondContact O-N 2.93Å; K156-E263 HydrophobicContact CB-CG 4.49Å; E252-E263 WeakPolarHBondContact O-CA 3.02Å; S253-E263 WeakPolarHBondContact CB-OE1 3.21Å; S253-E263 WeakPolarHBondContact CB-OE2 3.41Å; S253-E263 VanDerWaalsContact OG-CD 3.25Å; S253-E263 PolarHBondContact OG-OE1 2.92Å; S261-E263 PolarHBondContact OG-OE1 3.24Å |
| 264 | V | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 111.5 | -174.9 | -167.7 | 0 | 0 | 0 | 0 | 108.2 | M151 A152 L153 F239 D251 E252 I254 L262 N267 | M151-V264 HydrophobicContact CB-CG1 3.75Å; M151-V264 HydrophobicContact CG-CG1 4.38Å; M151-V264 HydrophobicContact SD-CG1 3.79Å; A152-V264 WeakPolarHBondContact O-CA 3.41Å; L153-V264 HydrophobicContact CD2-CB 4.17Å; L153-V264 HydrophobicContact CD2-CG1 3.83Å; L153-V264 HydrophobicContact CD2-CG2 3.75Å; F239-V264 HydrophobicContact CZ-CB 4.43Å; F239-V264 HydrophobicContact CZ-CG1 4.47Å; F239-V264 HydrophobicContact CZ-CG2 4.19Å; D251-V264 CarbonylContact C-O 3.58Å; D251-V264 WeakPolarHBondContact CA-O 3.24Å; E252-V264 HydrophobicContact CB-CB 4.5Å; E252-V264 PolarHBondContact N-O 2.82Å; E252-V264 PolarHBondContact O-N 3.42Å; I254-V264 HydrophobicContact CD1-CG2 4.4Å; L262-V264 HydrophobicContact CD2-CG2 4.29Å; L262-V264 HydrophobicContact CG-CG2 4.1Å; V264-N267 HydrophobicContact CG1-CB 3.65Å |
| 265 | S | 95.7 | Very high | 93.9 | Very high | 9 Ų | 9 | 34 Ų | 34 | 6% | 0.063 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 152.5 | -179.3 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | A152 K250 D251 N267 | A152-S265 PolarHBondContact N-O 3.03Å; A152-S265 PolarHBondContact O-N 2.85Å; K250-S265 CarbonylContact O-C 3.59Å; K250-S265 VanDerWaalsContact O-CA 3.22Å; K250-S265 WeakPolarHBondContact O-CA 3.2Å; D251-S265 VanDerWaalsContact OD1-CB 3.32Å; D251-S265 WeakPolarHBondContact OD1-CB 3.4Å; D251-S265 PolarHBondContact OD1-OG 2.92Å; S265-N267 VanDerWaalsContact C-N 3.29Å; S265-N267 PolarHBondContact O-N 2.94Å |
| 266 | N | 94.1 | Very high | 93.5 | Very high | 82 Ų | 82 | 36.8 Ų | 36.8 | 44% | 0.439 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 43.8 | 54 | -177.7 | -62.3 | -23 | 0 | 0 | 0 | 112.1 | E133 K250 | E133-N266 HydrophobicContact CG-CB 3.94Å; E133-N266 WeakPolarHBondContact OE1-CB 3.49Å; E133-N266 VanDerWaalsContact OE1-CG 3.28Å; E133-N266 PolarHBondContact OE1-ND2 2.94Å; K250-N266 PolarHBondContact O-N 3.49Å |
| 267 | N | 94.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.011 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 136 | -170.4 | 80.3 | 41.2 | 0 | 0 | 0 | 111.1 | Q150 M151 Y247 S248 C249 V264 S265 L269 | Q150-N267 CarbonylContact O-C 3.52Å; Q150-N267 VanDerWaalsContact O-CA 3.28Å; Q150-N267 WeakPolarHBondContact O-CA 3.28Å; M151-N267 HydrophobicContact CB-CB 4.04Å; Y247-N267 WeakPolarHBondContact CD1-OD1 3.46Å; Y247-N267 WeakPolarHBondContact CE1-OD1 3.31Å; S248-N267 WeakPolarHBondContact CA-O 3.43Å; C249-N267 VanDerWaalsContact CB-OD1 3.29Å; C249-N267 WeakPolarHBondContact CB-OD1 3.27Å; C249-N267 PolarHBondContact N-O 3.26Å; C249-N267 PolarHBondContact N-OD1 2.82Å; C249-N267 PolarHBondContact O-N 3.15Å; C249-N267 PolarHBondContact O-OD1 3.38Å; V264-N267 HydrophobicContact CG1-CB 3.65Å; S265-N267 VanDerWaalsContact C-N 3.29Å; S265-N267 PolarHBondContact O-N 2.94Å; N267-L269 HydrophobicContact CB-CD1 3.77Å |
| 268 | R | 97.1 | Very high | 93.5 | Very high | 73 Ų | 73 | 45.4 Ų | 45.4 | 28% | 0.275 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 117.6 | 167.9 | -167.9 | 175 | -178 | -175.8 | -2.5 | 109.1 | Q150 S246 Y247 F279 G280 | Q150-R268 HydrophobicContact CB-CB 4.37Å; Q150-R268 PolarHBondContact N-O 2.79Å; Q150-R268 PolarHBondContact O-N 3.42Å; S246-R268 PolarHBondContact OG-NE 2.97Å; Y247-R268 CarbonylContact O-C 3.42Å; Y247-R268 WeakPolarHBondContact O-CA 3.41Å; R268-F279 HydrophobicContact CB-CE2 4.48Å; R268-F279 HydrophobicContact CB-CZ 4.26Å; R268-F279 HydrophobicContact CG-CD1 4.05Å; R268-F279 HydrophobicContact CG-CD2 4.28Å; R268-F279 HydrophobicContact CG-CE1 4.04Å; R268-F279 HydrophobicContact CG-CE2 4.27Å; R268-F279 HydrophobicContact CG-CG 4.16Å; R268-F279 HydrophobicContact CG-CZ 4.15Å; R268-F279 VanDerWaalsContact CZ-CB 3.42Å; R268-F279 VanDerWaalsContact NH2-CB 3.33Å; R268-F279 WeakPolarHBondContact O-CE1 3.21Å; R268-F279 VanDerWaalsContact O-CZ 3.28Å; R268-F279 WeakPolarHBondContact O-CZ 3.25Å; R268-G280 PolarHBondContact NH2-O 3.02Å |
| 269 | L | 96.2 | Very high | 93.8 | Very high | 6 Ų | 6 | 41.6 Ų | 41.6 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 140.8 | -171.8 | -64.9 | 94.4 | 0 | 0 | 0 | 111.6 | M148 A149 M151 F199 F239 S246 Y247 N267 | M148-L269 WeakPolarHBondContact O-CA 3.47Å; A149-L269 HydrophobicContact CB-CD2 4.33Å; A149-L269 HydrophobicContact CB-CG 4.34Å; M151-L269 HydrophobicContact CE-CD2 3.72Å; M151-L269 HydrophobicContact CE-CG 4.39Å; M151-L269 HydrophobicContact SD-CD2 4.41Å; F199-L269 HydrophobicContact CE1-CD2 4.17Å; F199-L269 HydrophobicContact CZ-CD2 3.76Å; F239-L269 HydrophobicContact CD2-CD2 4.14Å; F239-L269 HydrophobicContact CE2-CD2 4.49Å; S246-L269 CarbonylContact C-O 3.54Å; S246-L269 VanDerWaalsContact CA-O 3.27Å; S246-L269 WeakPolarHBondContact CA-O 3.48Å; Y247-L269 HydrophobicContact CD1-CD1 4.2Å; Y247-L269 PolarHBondContact N-O 3.37Å; Y247-L269 PolarHBondContact O-N 3.45Å; N267-L269 HydrophobicContact CB-CD1 3.77Å |
| 270 | Q | 96.9 | Very high | 94 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.028 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 133.9 | 173.8 | -178 | 165.6 | -15.6 | 0 | 0 | 110.2 | L147 M148 G244 H245 N273 V274 F279 | L147-Q270 CarbonylContact C-O 3.53Å; L147-Q270 VanDerWaalsContact CA-O 3.28Å; L147-Q270 WeakPolarHBondContact CA-O 3.44Å; M148-Q270 PolarHBondContact N-O 2.88Å; M148-Q270 PolarHBondContact O-N 2.87Å; G244-Q270 PolarHBondContact O-NE2 3.06Å; H245-Q270 VanDerWaalsContact O-CD 3.23Å; H245-Q270 WeakPolarHBondContact O-CG 3.29Å; H245-Q270 PolarHBondContact O-OE1 3.22Å; Q270-N273 PolarHBondContact NE2-O 3.18Å; Q270-V274 HydrophobicContact CB-CG2 4.44Å; Q270-V274 HydrophobicContact CG-CG2 3.91Å; Q270-F279 HydrophobicContact CB-CD1 3.88Å; Q270-F279 HydrophobicContact CB-CE1 4.14Å |
| 271 | A | 95.4 | Very high | 94 | Very high | 7 Ų | 7 | 50.3 Ų | 50.3 | 6% | 0.058 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 160.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | C146 L147 F199 N273 | C146-A271 CarbonylContact O-C 3.54Å; L147-A271 HydrophobicContact CD1-CB 4.08Å; L147-A271 HydrophobicContact CG-CB 4.2Å; F199-A271 HydrophobicContact CB-CB 4.39Å; F199-A271 HydrophobicContact CD1-CB 4.46Å; F199-A271 HydrophobicContact CG-CB 4.34Å; A271-N273 VanDerWaalsContact C-N 3.3Å; A271-N273 PolarHBondContact O-N 2.96Å |
| 272 | F | 93.5 | Very high | 94.1 | Very high | 33 Ų | 33 | 52.6 Ų | 52.6 | 15% | 0.145 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 69.9 | -61.5 | 176.9 | -51.5 | -80.5 | 0 | 0 | 0 | 115.9 | C146 A184 F199 K201 A208 I243 | C146-F272 PolarHBondContact O-N 3.05Å; A184-F272 HydrophobicContact CB-CE1 3.92Å; A184-F272 HydrophobicContact CB-CZ 4.03Å; F199-F272 HydrophobicContact CB-CE2 4.17Å; F199-F272 HydrophobicContact CB-CZ 4.26Å; K201-F272 HydrophobicContact CB-CD1 4.38Å; K201-F272 HydrophobicContact CB-CD2 4.06Å; K201-F272 HydrophobicContact CB-CE1 4.16Å; K201-F272 HydrophobicContact CB-CE2 3.81Å; K201-F272 HydrophobicContact CB-CG 4.34Å; K201-F272 HydrophobicContact CB-CZ 3.86Å; K201-F272 HydrophobicContact CD-CG 4.39Å; A208-F272 HydrophobicContact CB-CD2 3.65Å; A208-F272 HydrophobicContact CB-CE2 3.8Å; I243-F272 HydrophobicContact CD1-CB 4.2Å; I243-F272 HydrophobicContact CD1-CD2 4.15Å; I243-F272 HydrophobicContact CD1-CG 4.49Å |
| 273 | N | 90.9 | Very high | 94 | Very high | 73 Ų | 73 | 54.3 Ų | 54.3 | 39% | 0.39 | 27% | 0.267 | S | S | . | . | trans | -116.2 | 89.4 | -175.8 | -171.1 | 12.3 | 0 | 0 | 0 | 110.2 | I243 Q270 A271 | I243-N273 HydrophobicContact CG2-CB 3.58Å; Q270-N273 PolarHBondContact NE2-O 3.18Å; A271-N273 VanDerWaalsContact C-N 3.3Å; A271-N273 PolarHBondContact O-N 2.96Å | ||
| 274 | V | 91.1 | Very high | 94 | Very high | 7 Ų | 7 | 55.5 Ų | 55.5 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | trans | -107 | 117.5 | 172 | 179.8 | 0 | 0 | 0 | 0 | 107.5 | V145 M148 Q270 | V145-V274 HydrophobicContact CB-CB 4.45Å; V145-V274 HydrophobicContact CB-CG1 4.16Å; V145-V274 HydrophobicContact CG1-CB 4.34Å; V145-V274 HydrophobicContact CG1-CG1 4.09Å; V145-V274 HydrophobicContact CG1-CG2 4.36Å; V145-V274 WeakPolarHBondContact O-CB 3.41Å; M148-V274 HydrophobicContact CG-CG1 4.13Å; M148-V274 HydrophobicContact CG-CG2 4.3Å; M148-V274 HydrophobicContact SD-CG1 3.54Å; M148-V274 VanDerWaalsContact SD-CG1 3.54Å; Q270-V274 HydrophobicContact CB-CG2 4.44Å; Q270-V274 HydrophobicContact CG-CG2 3.91Å | ||
| 275 | T | 87.1 | Confident | 93.8 | Very high | 76 Ų | 76 | 55.6 Ų | 55.6 | 47% | 0.466 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -101.2 | 142.4 | -180 | 56.7 | 0 | 0 | 0 | 0 | 109.7 | N277 E278 | T275-N277 PolarHBondContact O-N 3.02Å; T275-N277 VanDerWaalsContact O-N 3.11Å; T275-E278 PolarHBondContact O-N 3.45Å |
| 276 | K | 87 | Confident | 93.6 | Very high | 182 Ų | 182 | 60.5 Ų | 60.5 | 79% | 0.791 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 15.3 | -179.9 | -52 | 177.9 | -179.5 | 178.4 | 0 | 115.2 | E278 | K276-E278 PolarHBondContact O-N 3.17Š|
| 277 | N | 89 | Confident | 93.3 | Very high | 81 Ų | 81 | 60.5 Ų | 60.5 | 43% | 0.433 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 28.8 | -173.8 | -58.8 | -23.3 | 0 | 0 | 0 | 113.5 | V145 T275 | V145-N277 HydrophobicContact CB-CB 4.45Å; V145-N277 WeakPolarHBondContact CB-OD1 3.03Å; V145-N277 HydrophobicContact CG2-CB 3.9Å; V145-N277 VanDerWaalsContact CG2-OD1 3.31Å; V145-N277 WeakPolarHBondContact CG2-OD1 3.07Å; V145-N277 PolarHBondContact N-OD1 3.32Å; V145-N277 VanDerWaalsContact N-OD1 3.15Å; T275-N277 PolarHBondContact O-N 3.02Å; T275-N277 VanDerWaalsContact O-N 3.11Å |
| 278 | E | 93.4 | Very high | 93.1 | Very high | 127 Ų | 127 | 63.2 Ų | 63.2 | 59% | 0.593 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -125.4 | 154 | 178.6 | -70.3 | 178 | 173.6 | 0 | 0 | 110.7 | T275 K276 G280 | T275-E278 PolarHBondContact O-N 3.45Å; K276-E278 PolarHBondContact O-N 3.17Å; E278-G280 PolarHBondContact O-N 3.45Å |
| 279 | F | 96.2 | Very high | 92.6 | Very high | 38 Ų | 38 | 64.9 Ų | 64.9 | 17% | 0.167 | 35% | 0.346 | C | S | . | . | trans | -63.8 | 135.9 | 171.2 | -73.3 | -67.9 | 0 | 0 | 0 | 110.8 | M148 Q150 R268 Q270 | M148-F279 HydrophobicContact CB-CD1 4.08Å; M148-F279 HydrophobicContact CB-CE1 3.43Å; M148-F279 VanDerWaalsContact CB-CE1 3.43Å; M148-F279 HydrophobicContact CB-CE2 4.44Å; M148-F279 HydrophobicContact CB-CZ 3.64Å; M148-F279 HydrophobicContact CE-CD2 4.25Å; M148-F279 HydrophobicContact CE-CE2 4.16Å; M148-F279 HydrophobicContact CE-CZ 4.47Å; Q150-F279 HydrophobicContact CB-CE2 4.16Å; Q150-F279 HydrophobicContact CB-CZ 4.14Å; R268-F279 HydrophobicContact CB-CE2 4.48Å; R268-F279 HydrophobicContact CB-CZ 4.26Å; R268-F279 HydrophobicContact CG-CD1 4.05Å; R268-F279 HydrophobicContact CG-CD2 4.28Å; R268-F279 HydrophobicContact CG-CE1 4.04Å; R268-F279 HydrophobicContact CG-CE2 4.27Å; R268-F279 HydrophobicContact CG-CG 4.16Å; R268-F279 HydrophobicContact CG-CZ 4.15Å; R268-F279 VanDerWaalsContact CZ-CB 3.42Å; R268-F279 VanDerWaalsContact NH2-CB 3.33Å; R268-F279 WeakPolarHBondContact O-CE1 3.21Å; R268-F279 VanDerWaalsContact O-CZ 3.28Å; R268-F279 WeakPolarHBondContact O-CZ 3.25Å; Q270-F279 HydrophobicContact CB-CD1 3.88Å; Q270-F279 HydrophobicContact CB-CE1 4.14Å | ||
| 280 | G | 95.8 | Very high | 91.9 | Very high | 19 Ų | 19 | 68.3 Ų | 68.3 | 20% | 0.196 | 37% | 0.369 | C | S | . | . | trans | -71 | -168.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G244 S246 R268 E278 | G244-G280 WeakPolarHBondContact O-CA 3.41Å; S246-G280 PolarHBondContact OG-O 2.97Å; R268-G280 PolarHBondContact NH2-O 3.02Å; E278-G280 PolarHBondContact O-N 3.45Å | ||
| 281 | R | 96.3 | Very high | 91.2 | Very high | 184 Ų | 184 | 73.2 Ų | 73.2 | 69% | 0.694 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -58.1 | 134.2 | 178.4 | -178.2 | 177.3 | 176.1 | 165.3 | 0.9 | 110.5 | H245 S246 | H245-R281 CarbonylContact C-O 3.45Å; H245-R281 WeakPolarHBondContact CA-O 3.34Å; H245-R281 VanDerWaalsContact CB-O 3.3Å; H245-R281 WeakPolarHBondContact CB-O 3.27Å; S246-R281 PolarHBondContact N-O 3.27Å |
| 282 | P | 96.3 | Very high | 90.7 | Very high | 63 Ų | 63 | 79.8 Ų | 79.8 | 41% | 0.409 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 130.9 | 176.8 | 28.8 | -33.5 | 0 | 0 | 0 | 112.2 | S246 | S246-P282 CarbonylContact O-C 3.53Å; S246-P282 VanDerWaalsContact O-CA 3.23Å; S246-P282 WeakPolarHBondContact O-CA 3.41Å |
| 283 | D | 95.9 | Very high | 90.3 | Very high | 36 Ų | 36 | 87.5 Ų | 87.5 | 19% | 0.193 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 105.5 | 166.6 | -71.2 | -13.8 | 0 | 0 | 0 | 107.4 | A241 K242 H245 S246 S248 | A241-D283 HydrophobicContact CB-CB 4.36Å; K242-D283 PolarHBondContact N-OD2 3.44Å; K242-D283 VanDerWaalsContact N-OD2 3.1Å; H245-D283 WeakPolarHBondContact CB-OD2 3.41Å; H245-D283 IonicContact CE1-OD1 2.76Å; H245-D283 IonicContact CG-OD1 2.8Å; H245-D283 IonicContact CG-OD2 3.38Å; H245-D283 IonicContact ND1-OD1 3.75Å; H245-D283 PolarHBondContact ND1-OD1 3.4Å; H245-D283 IonicContact ND1-OD2 2.7Å; H245-D283 PolarHBondContact ND1-OD2 3.28Å; S246-D283 PolarHBondContact O-N 3.15Å; S248-D283 PolarHBondContact N-O 3.11Å |
| 284 | P | 94.9 | Very high | 90.1 | Very high | 62 Ų | 62 | 89 Ų | 89 | 40% | 0.403 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 143.8 | -175.5 | 28.7 | -33.6 | 0 | 0 | 0 | 111.7 | S248 Q289 | S248-P284 CarbonylContact O-C 3.56Å; S248-P284 WeakPolarHBondContact O-CA 3.37Å; P284-Q289 HydrophobicContact CB-CG 4.35Å; P284-Q289 HydrophobicContact CG-CG 4.02Å; P284-Q289 PolarHBondContact O-NE2 3.32Å |
| 285 | C | 93.3 | Very high | 90 | Very high | 1 Ų | 1 | 91.6 Ų | 91.6 | 1% | 0.007 | 48% | 0.481 | C | S | . | . | trans | -62.9 | 156 | 174.5 | 65.4 | 0 | 0 | 0 | 0 | 112.5 | Y247 S248 C249 A287 D288 Q289 | Y247-C285 HydrophobicContact CE2-CB 3.67Å; Y247-C285 WeakPolarHBondContact OH-CB 3.29Å; S248-C285 PolarHBondContact O-N 3.41Å; C249-C285 VanDerWaalsContact CA-SG 3.53Å; C249-C285 HydrophobicContact CB-CB 3.53Å; C249-C285 WeakPolarHBondContact CB-SG 3.33Å; C249-C285 WeakPolarHBondContact SG-CB 3.44Å; C249-C285 CovalentContact SG-SG 2.04Å; C249-C285 PolarHBondContact SG-SG 3.5Å; C285-A287 PolarHBondContact O-N 3.02Å; C285-A287 VanDerWaalsContact O-N 3.14Å; C285-D288 PolarHBondContact O-N 3.45Å; C285-Q289 WeakPolarHBondContact O-CG 3.48Å; C285-Q289 PolarHBondContact O-N 3.37Å | ||
| 286 | P | 90 | Very high | 90.2 | Very high | 112 Ų | 112 | 93.1 Ų | 93.1 | 73% | 0.727 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -31.3 | 178.7 | -26.8 | 35.4 | 0 | 0 | 0 | 114.2 | D288 Q289 | P286-D288 VanDerWaalsContact C-N 3.34Å; P286-Q289 PolarHBondContact O-N 3.47Å |
| 287 | A | 88.4 | Confident | 90.5 | Very high | 82 Ų | 82 | 87 Ų | 87 | 68% | 0.678 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -30.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | C285 | C285-A287 PolarHBondContact O-N 3.02Å; C285-A287 VanDerWaalsContact O-N 3.14Å |
| 288 | D | 89.8 | Confident | 90.8 | Very high | 59 Ų | 59 | 86.7 Ų | 86.7 | 32% | 0.316 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -7.8 | 177.9 | -79.4 | -26.9 | 0 | 0 | 0 | 112.7 | C249 K250 C285 P286 | C249-D288 WeakPolarHBondContact CA-OD2 3.34Å; K250-D288 WeakPolarHBondContact CD-OD1 3.44Å; K250-D288 PolarHBondContact N-OD2 2.74Å; C285-D288 PolarHBondContact O-N 3.45Å; P286-D288 VanDerWaalsContact C-N 3.34Å |
| 289 | Q | 86.4 | Confident | 90.9 | Very high | 108 Ų | 108 | 82.6 Ų | 82.6 | 51% | 0.505 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -78 | 131.4 | 178.4 | -73.7 | -177.1 | 14.3 | 0 | 0 | 110.7 | P284 C285 P286 D291 | P284-Q289 HydrophobicContact CB-CG 4.35Å; P284-Q289 HydrophobicContact CG-CG 4.02Å; P284-Q289 PolarHBondContact O-NE2 3.32Å; C285-Q289 WeakPolarHBondContact O-CG 3.48Å; C285-Q289 PolarHBondContact O-N 3.37Å; P286-Q289 PolarHBondContact O-N 3.47Å; Q289-D291 PolarHBondContact O-N 3.42Å |
| 290 | P | 82 | Confident | 91 | Very high | 78 Ų | 78 | 84.7 Ų | 84.7 | 51% | 0.506 | 48% | 0.478 | S | S | . | . | trans | -62.9 | 123.8 | 175.3 | 25.4 | -34.2 | 0 | 0 | 0 | 110.6 | Y292 | P290-Y292 HydrophobicContact CB-CD2 4.22Å; P290-Y292 HydrophobicContact CB-CE1 4.17Å; P290-Y292 HydrophobicContact CB-CE2 3.64Å; P290-Y292 HydrophobicContact CG-CD2 4.08Å; P290-Y292 HydrophobicContact CG-CE2 3.29Å; P290-Y292 PolarHBondContact O-N 3.48Å | ||
| 291 | D | 82.3 | Confident | 91 | Very high | 109 Ų | 109 | 87.7 Ų | 87.7 | 58% | 0.583 | 49% | 0.492 | S | S | * | . | trans | -79.5 | 88.3 | 176.3 | -168.4 | -4.7 | 0 | 0 | 0 | 110.7 | Q289 R293 | Q289-D291 PolarHBondContact O-N 3.42Å; D291-R293 PolarHBondContact O-N 3Å; D291-R293 WeakPolarHBondContact OD1-CB 3.38Å; D291-R293 VanDerWaalsContact OD1-CD 3.29Å; D291-R293 WeakPolarHBondContact OD1-CD 3.16Å; D291-R293 WeakPolarHBondContact OD1-CG 3.43Å; D291-R293 PolarHBondContact OD1-N 3.18Å | ||
| 292 | Y | 85.6 | Confident | 91.1 | Very high | 145 Ų | 145 | 83.7 Ų | 83.7 | 57% | 0.569 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | 2.6 | 174.1 | -61.8 | -64.9 | 0 | 0 | 0 | 113.5 | P290 V294 A295 I296 | P290-Y292 HydrophobicContact CB-CD2 4.22Å; P290-Y292 HydrophobicContact CB-CE1 4.17Å; P290-Y292 HydrophobicContact CB-CE2 3.64Å; P290-Y292 HydrophobicContact CG-CD2 4.08Å; P290-Y292 HydrophobicContact CG-CE2 3.29Å; P290-Y292 PolarHBondContact O-N 3.48Å; Y292-V294 VanDerWaalsContact C-N 3.25Å; Y292-V294 PolarHBondContact O-N 3.47Å; Y292-A295 PolarHBondContact O-N 3.46Å; Y292-A295 VanDerWaalsContact O-N 3.15Å; Y292-I296 WeakPolarHBondContact O-CB 3.28Å; Y292-I296 VanDerWaalsContact O-CG1 3.25Å; Y292-I296 WeakPolarHBondContact O-CG1 3.43Å; Y292-I296 PolarHBondContact O-N 3.48Å |
| 293 | R | 84.8 | Confident | 91.1 | Very high | 196 Ų | 196 | 85.9 Ų | 85.9 | 74% | 0.74 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -57.3 | -41.9 | -177.1 | -68.1 | 170.3 | 178.5 | -126.7 | 0.8 | 111.5 | D291 A297 | D291-R293 PolarHBondContact O-N 3Å; D291-R293 WeakPolarHBondContact OD1-CB 3.38Å; D291-R293 VanDerWaalsContact OD1-CD 3.29Å; D291-R293 WeakPolarHBondContact OD1-CD 3.16Å; D291-R293 WeakPolarHBondContact OD1-CG 3.43Å; D291-R293 PolarHBondContact OD1-N 3.18Å; R293-A297 VanDerWaalsContact O-CB 3.27Å; R293-A297 WeakPolarHBondContact O-CB 3.31Å; R293-A297 PolarHBondContact O-N 3.45Å |
| 294 | V | 86.6 | Confident | 91.2 | Very high | 103 Ų | 103 | 86.7 Ų | 86.7 | 62% | 0.624 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66 | -47.8 | 177.5 | -178 | 0 | 0 | 0 | 0 | 110.9 | Y292 I296 A297 V298 | Y292-V294 VanDerWaalsContact C-N 3.25Å; Y292-V294 PolarHBondContact O-N 3.47Å; V294-I296 VanDerWaalsContact C-N 3.35Å; V294-I296 PolarHBondContact O-N 3.27Å; V294-A297 PolarHBondContact O-N 3.28Å; V294-V298 WeakPolarHBondContact O-CG2 3.36Å; V294-V298 PolarHBondContact O-N 3.26Å |
| 295 | A | 89.4 | Confident | 91.3 | Very high | 62 Ų | 62 | 88.5 Ų | 88.5 | 51% | 0.512 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 180 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y292 V298 G299 | Y292-A295 PolarHBondContact O-N 3.46Å; Y292-A295 VanDerWaalsContact O-N 3.15Å; A295-V298 PolarHBondContact O-N 2.91Å; A295-G299 PolarHBondContact O-N 2.93Å |
| 296 | I | 91.6 | Very high | 91.5 | Very high | 109 Ų | 109 | 93.4 Ų | 93.4 | 56% | 0.559 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.2 | -44 | 175.8 | -65.9 | 165.7 | 0 | 0 | 0 | 110.2 | Y292 V294 V298 G299 V300 | Y292-I296 WeakPolarHBondContact O-CB 3.28Å; Y292-I296 VanDerWaalsContact O-CG1 3.25Å; Y292-I296 WeakPolarHBondContact O-CG1 3.43Å; Y292-I296 PolarHBondContact O-N 3.48Å; V294-I296 VanDerWaalsContact C-N 3.35Å; V294-I296 PolarHBondContact O-N 3.27Å; I296-V298 PolarHBondContact O-N 2.96Å; I296-G299 PolarHBondContact O-N 3.37Å; I296-V300 HydrophobicContact CG2-CG2 4.29Å; I296-V300 VanDerWaalsContact O-CG2 3.29Å; I296-V300 WeakPolarHBondContact O-CG2 3.31Å; I296-V300 PolarHBondContact O-N 3.32Å |
| 297 | A | 91.9 | Very high | 91.9 | Very high | 53 Ų | 53 | 91.2 Ų | 91.2 | 44% | 0.438 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R293 V294 V300 T301 | R293-A297 VanDerWaalsContact O-CB 3.27Å; R293-A297 WeakPolarHBondContact O-CB 3.31Å; R293-A297 PolarHBondContact O-N 3.45Å; V294-A297 PolarHBondContact O-N 3.28Å; A297-V300 PolarHBondContact O-N 3.03Å; A297-T301 WeakPolarHBondContact O-CG2 3.41Å; A297-T301 PolarHBondContact O-N 2.92Å; A297-T301 PolarHBondContact O-OG1 3.48Å |
| 298 | V | 96.2 | Very high | 92.2 | Very high | 75 Ų | 75 | 90.6 Ų | 90.6 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 175.5 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | V294 A295 I296 V300 T301 L302 | V294-V298 WeakPolarHBondContact O-CG2 3.36Å; V294-V298 PolarHBondContact O-N 3.26Å; A295-V298 PolarHBondContact O-N 2.91Å; I296-V298 PolarHBondContact O-N 2.96Å; V298-V300 VanDerWaalsContact C-N 3.34Å; V298-V300 PolarHBondContact O-N 3.06Å; V298-T301 WeakPolarHBondContact CA-OG1 3.39Å; V298-T301 PolarHBondContact O-N 3.01Å; V298-T301 PolarHBondContact O-OG1 2.96Å; V298-L302 HydrophobicContact CG1-CD1 4.04Å; V298-L302 HydrophobicContact CG1-CG 4.45Å; V298-L302 WeakPolarHBondContact O-CB 3.35Å; V298-L302 WeakPolarHBondContact O-CG 3.27Å; V298-L302 PolarHBondContact O-N 3Å |
| 299 | G | 96.3 | Very high | 92.6 | Very high | 41 Ų | 41 | 92.2 Ų | 92.2 | 42% | 0.423 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.6 | -43 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A295 I296 L303 | A295-G299 PolarHBondContact O-N 2.93Å; I296-G299 PolarHBondContact O-N 3.37Å; G299-L303 WeakPolarHBondContact O-CB 3.35Å; G299-L303 PolarHBondContact O-N 3.32Å |
| 300 | V | 96.8 | Very high | 93 | Very high | 82 Ų | 82 | 91.6 Ų | 91.6 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.1 | -42.7 | 178.7 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | I296 A297 V298 L302 L303 V304 | I296-V300 HydrophobicContact CG2-CG2 4.29Å; I296-V300 VanDerWaalsContact O-CG2 3.29Å; I296-V300 WeakPolarHBondContact O-CG2 3.31Å; I296-V300 PolarHBondContact O-N 3.32Å; A297-V300 PolarHBondContact O-N 3.03Å; V298-V300 VanDerWaalsContact C-N 3.34Å; V298-V300 PolarHBondContact O-N 3.06Å; V300-L302 PolarHBondContact O-N 3.45Å; V300-L303 PolarHBondContact O-N 3.32Å; V300-V304 HydrophobicContact CG1-CG2 4.42Å; V300-V304 VanDerWaalsContact O-CG2 3.31Å; V300-V304 WeakPolarHBondContact O-CG2 3.32Å; V300-V304 PolarHBondContact O-N 2.93Å |
| 301 | T | 96.7 | Very high | 93.6 | Very high | 81 Ų | 81 | 92.1 Ų | 92.1 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 178.9 | 52.9 | 0 | 0 | 0 | 0 | 112.1 | A297 V298 V304 L305 | A297-T301 WeakPolarHBondContact O-CG2 3.41Å; A297-T301 PolarHBondContact O-N 2.92Å; A297-T301 PolarHBondContact O-OG1 3.48Å; V298-T301 WeakPolarHBondContact CA-OG1 3.39Å; V298-T301 PolarHBondContact O-N 3.01Å; V298-T301 PolarHBondContact O-OG1 2.96Å; T301-V304 PolarHBondContact O-N 2.92Å; T301-L305 PolarHBondContact O-N 3.32Å |
| 302 | L | 97.4 | Very high | 94.2 | Very high | 100 Ų | 100 | 90.6 Ų | 90.6 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 174.6 | -71.6 | 175.4 | 0 | 0 | 0 | 112 | V298 V300 L305 I306 | V298-L302 HydrophobicContact CG1-CD1 4.04Å; V298-L302 HydrophobicContact CG1-CG 4.45Å; V298-L302 WeakPolarHBondContact O-CB 3.35Å; V298-L302 WeakPolarHBondContact O-CG 3.27Å; V298-L302 PolarHBondContact O-N 3Å; V300-L302 PolarHBondContact O-N 3.45Å; L302-L305 PolarHBondContact O-N 2.85Å; L302-I306 WeakPolarHBondContact O-CG1 3.42Å; L302-I306 PolarHBondContact O-N 3.36Å |
| 303 | L | 97.6 | Very high | 94.6 | Very high | 110 Ų | 110 | 90.2 Ų | 90.2 | 58% | 0.576 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.2 | -44.8 | 177.7 | -164 | 160.5 | 0 | 0 | 0 | 111.2 | G299 V300 L305 I306 V307 | G299-L303 WeakPolarHBondContact O-CB 3.35Å; G299-L303 PolarHBondContact O-N 3.32Å; V300-L303 PolarHBondContact O-N 3.32Å; L303-L305 VanDerWaalsContact C-N 3.34Å; L303-L305 PolarHBondContact O-N 2.89Å; L303-I306 PolarHBondContact O-N 3.43Å; L303-V307 HydrophobicContact CD2-CG2 3.93Å; L303-V307 WeakPolarHBondContact O-CG2 3.33Å; L303-V307 PolarHBondContact O-N 3.33Å |
| 304 | V | 97.3 | Very high | 95 | Very high | 52 Ų | 52 | 86 Ų | 86 | 32% | 0.315 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 176.2 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | L15 V300 T301 I306 V307 I308 | L15-V304 HydrophobicContact CD1-CG1 4.47Å; V300-V304 HydrophobicContact CG1-CG2 4.42Å; V300-V304 VanDerWaalsContact O-CG2 3.31Å; V300-V304 WeakPolarHBondContact O-CG2 3.32Å; V300-V304 PolarHBondContact O-N 2.93Å; T301-V304 PolarHBondContact O-N 2.92Å; V304-I306 PolarHBondContact O-N 2.94Å; V304-V307 PolarHBondContact O-N 2.9Å; V304-I308 HydrophobicContact CG1-CD1 3.87Å; V304-I308 HydrophobicContact CG1-CG1 4.47Å; V304-I308 VanDerWaalsContact O-CG1 3.31Å; V304-I308 WeakPolarHBondContact O-CG1 3.45Å; V304-I308 PolarHBondContact O-N 2.87Å |
| 305 | L | 97 | Very high | 95 | Very high | 101 Ų | 101 | 85 Ų | 85 | 53% | 0.529 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60 | -45 | 175.9 | -98.3 | 165.9 | 0 | 0 | 0 | 112.4 | T301 L302 L303 V307 I308 V309 | T301-L305 PolarHBondContact O-N 3.32Å; L302-L305 PolarHBondContact O-N 2.85Å; L303-L305 VanDerWaalsContact C-N 3.34Å; L303-L305 PolarHBondContact O-N 2.89Å; L305-V307 VanDerWaalsContact C-N 3.33Å; L305-V307 PolarHBondContact O-N 3.41Å; L305-I308 PolarHBondContact O-N 3.44Å; L305-V309 WeakPolarHBondContact O-CG2 3.32Å; L305-V309 PolarHBondContact O-N 3.29Å |
| 306 | I | 97.7 | Very high | 94.7 | Very high | 103 Ų | 103 | 83.8 Ų | 83.8 | 53% | 0.528 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 177.2 | -68.6 | 165.1 | 0 | 0 | 0 | 110.5 | L302 L303 V304 I308 V309 L310 | L302-I306 WeakPolarHBondContact O-CG1 3.42Å; L302-I306 PolarHBondContact O-N 3.36Å; L303-I306 PolarHBondContact O-N 3.43Å; V304-I306 PolarHBondContact O-N 2.94Å; I306-I308 VanDerWaalsContact C-N 3.35Å; I306-I308 PolarHBondContact O-N 2.88Å; I306-V309 PolarHBondContact O-N 3.46Å; I306-L310 HydrophobicContact CG2-CD1 4.07Å; I306-L310 HydrophobicContact CG2-CG 4.41Å; I306-L310 WeakPolarHBondContact O-CG 3.34Å; I306-L310 PolarHBondContact O-N 3.33Å |
| 307 | V | 97.1 | Very high | 94.4 | Very high | 67 Ų | 67 | 86.2 Ų | 86.2 | 41% | 0.406 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 178.1 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | L303 V304 L305 V309 L310 I311 | L303-V307 HydrophobicContact CD2-CG2 3.93Å; L303-V307 WeakPolarHBondContact O-CG2 3.33Å; L303-V307 PolarHBondContact O-N 3.33Å; V304-V307 PolarHBondContact O-N 2.9Å; L305-V307 VanDerWaalsContact C-N 3.33Å; L305-V307 PolarHBondContact O-N 3.41Å; V307-V309 PolarHBondContact O-N 2.88Å; V307-L310 PolarHBondContact O-N 2.99Å; V307-I311 HydrophobicContact CG1-CD1 3.8Å; V307-I311 HydrophobicContact CG1-CG1 4.42Å; V307-I311 VanDerWaalsContact O-CG1 3.28Å; V307-I311 WeakPolarHBondContact O-CG1 3.27Å; V307-I311 PolarHBondContact O-N 3.39Å |
| 308 | I | 96.5 | Very high | 93.8 | Very high | 69 Ų | 69 | 93.2 Ų | 93.2 | 35% | 0.354 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 175.8 | -68.6 | 166.6 | 0 | 0 | 0 | 110.6 | V304 L305 I306 L310 I311 V312 | V304-I308 HydrophobicContact CG1-CD1 3.87Å; V304-I308 HydrophobicContact CG1-CG1 4.47Å; V304-I308 VanDerWaalsContact O-CG1 3.31Å; V304-I308 WeakPolarHBondContact O-CG1 3.45Å; V304-I308 PolarHBondContact O-N 2.87Å; L305-I308 PolarHBondContact O-N 3.44Å; I306-I308 VanDerWaalsContact C-N 3.35Å; I306-I308 PolarHBondContact O-N 2.88Å; I308-L310 VanDerWaalsContact C-N 3.35Å; I308-L310 PolarHBondContact O-N 3.37Å; I308-I311 PolarHBondContact O-N 3.44Å; I308-V312 HydrophobicContact CG2-CG2 4.45Å; I308-V312 WeakPolarHBondContact O-CG2 3.43Å; I308-V312 PolarHBondContact O-N 2.97Å |
| 309 | V | 96.6 | Very high | 92.5 | Very high | 92 Ų | 92 | 95.8 Ų | 95.8 | 56% | 0.558 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.9 | -43.5 | 178.2 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | L305 I306 V307 V312 Y313 | L305-V309 WeakPolarHBondContact O-CG2 3.32Å; L305-V309 PolarHBondContact O-N 3.29Å; I306-V309 PolarHBondContact O-N 3.46Å; V307-V309 PolarHBondContact O-N 2.88Å; V309-V312 PolarHBondContact O-N 3.5Å; V309-Y313 WeakPolarHBondContact O-CB 3.34Å; V309-Y313 PolarHBondContact O-N 3.25Å |
| 310 | L | 95.9 | Very high | 90.8 | Very high | 95 Ų | 95 | 104.3 Ų | 104.3 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 176.9 | -72.1 | 175.2 | 0 | 0 | 0 | 112.2 | I306 V307 I308 Y313 L314 | I306-L310 HydrophobicContact CG2-CD1 4.07Å; I306-L310 HydrophobicContact CG2-CG 4.41Å; I306-L310 WeakPolarHBondContact O-CG 3.34Å; I306-L310 PolarHBondContact O-N 3.33Å; V307-L310 PolarHBondContact O-N 2.99Å; I308-L310 VanDerWaalsContact C-N 3.35Å; I308-L310 PolarHBondContact O-N 3.37Å; L310-Y313 PolarHBondContact O-N 3.4Å; L310-L314 WeakPolarHBondContact O-CB 3.17Å; L310-L314 VanDerWaalsContact O-CG 3.27Å; L310-L314 WeakPolarHBondContact O-CG 3.39Å; L310-L314 PolarHBondContact O-N 3.48Å |
| 311 | I | 95 | Very high | 89 | Confident | 89 Ų | 89 | 106.1 Ų | 106.1 | 46% | 0.456 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 175.9 | -69.2 | 167.2 | 0 | 0 | 0 | 110.2 | V307 I308 Y313 L314 L315 | V307-I311 HydrophobicContact CG1-CD1 3.8Å; V307-I311 HydrophobicContact CG1-CG1 4.42Å; V307-I311 VanDerWaalsContact O-CG1 3.28Å; V307-I311 WeakPolarHBondContact O-CG1 3.27Å; V307-I311 PolarHBondContact O-N 3.39Å; I308-I311 PolarHBondContact O-N 3.44Å; I311-Y313 VanDerWaalsContact C-N 3.32Å; I311-Y313 PolarHBondContact O-N 3.29Å; I311-L314 PolarHBondContact O-N 3.11Å; I311-L315 HydrophobicContact CG2-CD1 3.88Å; I311-L315 HydrophobicContact CG2-CG 4.33Å; I311-L315 WeakPolarHBondContact O-CB 3.42Å; I311-L315 VanDerWaalsContact O-CG 3.27Å; I311-L315 WeakPolarHBondContact O-CG 3.46Å; I311-L315 PolarHBondContact O-N 2.86Å |
| 312 | V | 94.5 | Very high | 87.1 | Confident | 78 Ų | 78 | 106.5 Ų | 106.5 | 47% | 0.473 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 177.5 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | I308 V309 L315 G316 | I308-V312 HydrophobicContact CG2-CG2 4.45Å; I308-V312 WeakPolarHBondContact O-CG2 3.43Å; I308-V312 PolarHBondContact O-N 2.97Å; V309-V312 PolarHBondContact O-N 3.5Å; V312-L315 PolarHBondContact O-N 2.95Å; V312-G316 PolarHBondContact O-N 3.46Å |
| 313 | Y | 94.1 | Very high | 85.1 | Confident | 136 Ų | 136 | 104.7 Ų | 104.7 | 53% | 0.533 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.6 | -48.1 | 176.5 | 174.6 | -97.5 | 0 | 0 | 0 | 112.1 | V309 L310 I311 L315 G316 R317 | V309-Y313 WeakPolarHBondContact O-CB 3.34Å; V309-Y313 PolarHBondContact O-N 3.25Å; L310-Y313 PolarHBondContact O-N 3.4Å; I311-Y313 VanDerWaalsContact C-N 3.32Å; I311-Y313 PolarHBondContact O-N 3.29Å; Y313-L315 PolarHBondContact O-N 3.15Å; Y313-G316 PolarHBondContact O-N 3.35Å; Y313-R317 WeakPolarHBondContact O-CB 3.46Å; Y313-R317 PolarHBondContact O-N 3.48Å |
| 314 | L | 91.9 | Very high | 83.2 | Confident | 107 Ų | 107 | 110.2 Ų | 110.2 | 56% | 0.56 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.4 | -41.1 | 179 | -70.3 | 174.4 | 0 | 0 | 0 | 112 | L310 I311 R317 R318 | L310-L314 WeakPolarHBondContact O-CB 3.17Å; L310-L314 VanDerWaalsContact O-CG 3.27Å; L310-L314 WeakPolarHBondContact O-CG 3.39Å; L310-L314 PolarHBondContact O-N 3.48Å; I311-L314 PolarHBondContact O-N 3.11Å; L314-R317 PolarHBondContact O-N 3.25Å; L314-R318 WeakPolarHBondContact O-CB 3.28Å; L314-R318 PolarHBondContact O-N 3.3Å |
| 315 | L | 87.5 | Confident | 81.1 | Confident | 83 Ų | 83 | 116.7 Ų | 116.7 | 44% | 0.435 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.9 | -37.5 | 174.6 | -69.4 | 176.5 | 0 | 0 | 0 | 112.2 | I311 V312 Y313 K319 | I311-L315 HydrophobicContact CG2-CD1 3.88Å; I311-L315 HydrophobicContact CG2-CG 4.33Å; I311-L315 WeakPolarHBondContact O-CB 3.42Å; I311-L315 VanDerWaalsContact O-CG 3.27Å; I311-L315 WeakPolarHBondContact O-CG 3.46Å; I311-L315 PolarHBondContact O-N 2.86Å; V312-L315 PolarHBondContact O-N 2.95Å; Y313-L315 PolarHBondContact O-N 3.15Å; L315-K319 PolarHBondContact O-N 2.9Å |
| 316 | G | 84.1 | Confident | 79.1 | Confident | 37 Ų | 37 | 117.3 Ų | 117.3 | 38% | 0.381 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.3 | -44.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V312 Y313 K319 R320 | V312-G316 PolarHBondContact O-N 3.46Å; Y313-G316 PolarHBondContact O-N 3.35Å; G316-K319 PolarHBondContact O-N 3.15Å; G316-R320 PolarHBondContact O-N 3.22Å |
| 317 | R | 84.9 | Confident | 76.9 | Confident | 160 Ų | 160 | 124.2 Ų | 124.2 | 60% | 0.604 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -63.3 | -44.4 | 177.1 | -171.7 | 175.2 | 178 | 179.2 | -1.3 | 111.9 | Y313 L314 K319 R320 | Y313-R317 WeakPolarHBondContact O-CB 3.46Å; Y313-R317 PolarHBondContact O-N 3.48Å; L314-R317 PolarHBondContact O-N 3.25Å; R317-K319 PolarHBondContact O-N 3.36Å; R317-R320 PolarHBondContact O-N 3.37Å; R317-R320 VanDerWaalsContact O-N 3.15Å |
| 318 | R | 78.9 | Confident | 75.9 | Confident | 199 Ų | 199 | 127.1 Ų | 127.1 | 75% | 0.751 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -60.7 | -30.7 | 179.2 | -167.2 | 176.1 | -176.4 | 179.5 | 1.9 | 113.1 | L314 T321 | L314-R318 WeakPolarHBondContact O-CB 3.28Å; L314-R318 PolarHBondContact O-N 3.3Å; R318-T321 PolarHBondContact O-OG1 3.42Å |
| 319 | K | 68 | Low | 74.9 | Confident | 129 Ų | 129 | 130.1 Ų | 130.1 | 56% | 0.561 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -74.2 | -31.1 | 176.9 | -76 | -179 | -179.6 | 176.3 | 0 | 113.9 | L315 G316 R317 T321 A322 | L315-K319 PolarHBondContact O-N 2.9Å; G316-K319 PolarHBondContact O-N 3.15Å; R317-K319 PolarHBondContact O-N 3.36Å; K319-T321 VanDerWaalsContact C-N 3.31Å; K319-T321 PolarHBondContact O-N 3.38Å; K319-A322 PolarHBondContact O-N 3.49Å |
| 320 | R | 61.5 | Low | 73.6 | Confident | 220 Ų | 220 | 132.2 Ų | 132.2 | 83% | 0.83 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -71.9 | -24 | -179.7 | -67.9 | -166.7 | -173.8 | -176.8 | 2.5 | 113.4 | G316 R317 A322 | G316-R320 PolarHBondContact O-N 3.22Å; R317-R320 PolarHBondContact O-N 3.37Å; R317-R320 VanDerWaalsContact O-N 3.15Å; R320-A322 VanDerWaalsContact C-N 3.3Å; R320-A322 PolarHBondContact O-N 3.45Å |
| 321 | T | 58.4 | Low | 72.3 | Confident | 120 Ų | 120 | 134.4 Ų | 134.4 | 74% | 0.736 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -8.5 | 177.6 | 30.1 | 0 | 0 | 0 | 0 | 115 | R318 K319 | R318-T321 PolarHBondContact O-OG1 3.42Å; K319-T321 VanDerWaalsContact C-N 3.31Å; K319-T321 PolarHBondContact O-N 3.38Å |
| 322 | A | 56.8 | Low | 70.9 | Confident | 90 Ų | 90 | 137.3 Ų | 137.3 | 74% | 0.744 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | 10.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | K319 R320 | K319-A322 PolarHBondContact O-N 3.49Å; R320-A322 VanDerWaalsContact C-N 3.3Å; R320-A322 PolarHBondContact O-N 3.45Å |
| 323 | G | 55.5 | Low | 69.4 | Low | 61 Ų | 61 | 141.2 Ų | 141.2 | 63% | 0.629 | 71% | 0.708 | S | S | * | * | trans | -109.6 | 3.3 | -167.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 324 | Y | 57 | Low | 67.6 | Low | 227 Ų | 227 | 141.6 Ų | 141.6 | 89% | 0.89 | 72% | 0.721 | S | S | * | * | trans | -108.5 | 77.9 | 173.2 | -79.1 | -84.4 | 0 | 0 | 0 | 110 | ||||
| 325 | Q | 54.4 | Low | 65.7 | Low | 188 Ų | 188 | 144.2 Ų | 144.2 | 88% | 0.879 | 73% | 0.733 | S | S | * | * | trans | -83.8 | 106.4 | 149.1 | -104.7 | -177.4 | -37.5 | 0 | 0 | 105.7 | L327 | Q325-L327 PolarHBondContact O-N 3.32Š| ||
| 326 | S | 54.9 | Low | 63.9 | Low | 114 Ų | 114 | 149.3 Ų | 149.3 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | -58.7 | 122 | 166.9 | 48 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 327 | L | 52.3 | Low | 62.1 | Low | 247 Ų | 247 | 159.5 Ų | 159.5 | 100% | 1.293 | 79% | 0.792 | S | S | * | * | trans | -54.3 | 0 | 165.5 | -89 | 106.1 | 0 | 0 | 0 | 110.9 | Q325 | Q325-L327 PolarHBondContact O-N 3.32Š|
Retrieved 327 of 327 residues in 1751.9 ms
(Link to these results)