| 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 | 55.1 | Low | 53.8 | Low | 232 Ų | 232 | 140.3 Ų | 140.3 | 100% | 1.143 | 68% | 0.684 | S | S | * | * | 0 | 20.4 | 0 | -152 | 158 | 77.8 | 0 | 0 | 114.2 | |||||
| 2 | S | 55.7 | Low | 53.8 | Low | 99 Ų | 99 | 135.8 Ų | 135.8 | 69% | 0.692 | 66% | 0.664 | S | S | * | * | trans | -113.2 | -29 | 174.5 | 70.2 | 0 | 0 | 0 | 0 | 114.1 | F4 K5 M6 | S2-F4 PolarHBondContact O-N 3.24Å; S2-K5 PolarHBondContact O-N 2.88Å; S2-M6 PolarHBondContact O-N 3.24Å | ||
| 3 | A | 47.9 | Very low | 54.1 | Low | 58 Ų | 58 | 135.6 Ų | 135.6 | 48% | 0.479 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -64.9 | -38.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K5 M6 I7 | A3-K5 VanDerWaalsContact C-N 3.35Å; A3-K5 PolarHBondContact O-N 3.35Å; A3-M6 PolarHBondContact O-N 3.07Å; A3-I7 WeakPolarHBondContact O-CG1 3.4Å; A3-I7 PolarHBondContact O-N 2.97Å; A3-I7 VanDerWaalsContact O-N 3.08Å |
| 4 | F | 46.5 | Very low | 53.3 | Low | 174 Ų | 174 | 133.6 Ų | 133.6 | 76% | 0.763 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -70.1 | -29.3 | -178.8 | -146.3 | -96.4 | 0 | 0 | 0 | 113.2 | S2 R8 | S2-F4 PolarHBondContact O-N 3.24Å; F4-R8 WeakPolarHBondContact O-CB 3.42Å; F4-R8 PolarHBondContact O-N 3.46Å |
| 5 | K | 52.9 | Low | 52.9 | Low | 149 Ų | 149 | 131 Ų | 131 | 65% | 0.648 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73.1 | -33 | 174.4 | -104.7 | 179.5 | 177.5 | 177 | 0 | 112 | S2 A3 K9 | S2-K5 PolarHBondContact O-N 2.88Å; A3-K5 VanDerWaalsContact C-N 3.35Å; A3-K5 PolarHBondContact O-N 3.35Å; K5-K9 PolarHBondContact O-N 3.2Å; K5-K9 VanDerWaalsContact O-N 3.13Å |
| 6 | M | 52.8 | Low | 52.2 | Low | 135 Ų | 135 | 129.1 Ų | 129.1 | 67% | 0.665 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -73.5 | -42.9 | 178.3 | -167 | 173.8 | 68.8 | 0 | 0 | 111.3 | S2 A3 R8 K9 L10 | S2-M6 PolarHBondContact O-N 3.24Å; A3-M6 PolarHBondContact O-N 3.07Å; M6-R8 VanDerWaalsContact C-N 3.34Å; M6-R8 PolarHBondContact O-N 3.49Å; M6-K9 PolarHBondContact O-N 3.07Å; M6-L10 WeakPolarHBondContact O-CB 3.47Å; M6-L10 PolarHBondContact O-N 3.13Å |
| 7 | I | 56.9 | Low | 51.5 | Low | 109 Ų | 109 | 125.9 Ų | 125.9 | 56% | 0.559 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.8 | -40.8 | 174.9 | -67.4 | 165.9 | 0 | 0 | 0 | 111 | A3 K9 L10 F11 | A3-I7 WeakPolarHBondContact O-CG1 3.4Å; A3-I7 PolarHBondContact O-N 2.97Å; A3-I7 VanDerWaalsContact O-N 3.08Å; I7-K9 PolarHBondContact O-N 3.43Å; I7-L10 PolarHBondContact O-N 2.94Å; I7-F11 WeakPolarHBondContact O-CB 3.2Å; I7-F11 PolarHBondContact O-N 3.27Å |
| 8 | R | 55.3 | Low | 50.8 | Low | 162 Ų | 162 | 125.3 Ų | 125.3 | 61% | 0.611 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.3 | -38 | 175.9 | -163.6 | 178.8 | 77.6 | 174.2 | 7.6 | 112.8 | F4 M6 I12 | F4-R8 WeakPolarHBondContact O-CB 3.42Å; F4-R8 PolarHBondContact O-N 3.46Å; M6-R8 VanDerWaalsContact C-N 3.34Å; M6-R8 PolarHBondContact O-N 3.49Å; R8-I12 HydrophobicContact CG-CD1 4.05Å; R8-I12 WeakPolarHBondContact O-CB 3.33Å; R8-I12 WeakPolarHBondContact O-CD1 3.46Å; R8-I12 WeakPolarHBondContact O-CG1 3.48Å; R8-I12 PolarHBondContact O-N 3.34Å |
| 9 | K | 58.5 | Low | 50.2 | Low | 165 Ų | 165 | 122.4 Ų | 122.4 | 72% | 0.717 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.5 | -39.6 | 174.4 | -85 | -172.3 | 173.2 | -170.7 | 0 | 111.9 | K5 M6 I7 F13 | K5-K9 PolarHBondContact O-N 3.2Å; K5-K9 VanDerWaalsContact O-N 3.13Å; M6-K9 PolarHBondContact O-N 3.07Å; I7-K9 PolarHBondContact O-N 3.43Å; K9-F13 VanDerWaalsContact O-CB 3.26Å; K9-F13 WeakPolarHBondContact O-CB 3.38Å; K9-F13 PolarHBondContact O-N 3.24Å |
| 10 | L | 53.1 | Low | 49.4 | Very low | 120 Ų | 120 | 119.9 Ų | 119.9 | 63% | 0.628 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.1 | -40 | 176.6 | -155.4 | 82.8 | 0 | 0 | 0 | 111.2 | M6 I7 F13 L14 | M6-L10 WeakPolarHBondContact O-CB 3.47Å; M6-L10 PolarHBondContact O-N 3.13Å; I7-L10 PolarHBondContact O-N 2.94Å; L10-F13 PolarHBondContact O-N 3.04Å; L10-L14 WeakPolarHBondContact O-CB 3.42Å; L10-L14 PolarHBondContact O-N 3.1Å |
| 11 | F | 56.7 | Low | 48.6 | Very low | 140 Ų | 140 | 119.3 Ų | 119.3 | 61% | 0.614 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.1 | -40.7 | 177.3 | -162.7 | -95.4 | 0 | 0 | 0 | 112.5 | I7 L14 L15 | I7-F11 WeakPolarHBondContact O-CB 3.2Å; I7-F11 PolarHBondContact O-N 3.27Å; F11-L14 PolarHBondContact O-N 3.34Å; F11-L15 HydrophobicContact CD1-CD1 3.84Å; F11-L15 HydrophobicContact CE1-CD1 3.44Å; F11-L15 VanDerWaalsContact CE1-CD1 3.44Å; F11-L15 HydrophobicContact CZ-CD1 4.08Å; F11-L15 WeakPolarHBondContact O-CB 3.12Å; F11-L15 PolarHBondContact O-N 3.45Å |
| 12 | I | 53.7 | Low | 47.5 | Very low | 87 Ų | 87 | 115.4 Ų | 115.4 | 45% | 0.446 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.8 | -38.1 | 174.3 | -69.5 | 167 | 0 | 0 | 0 | 110.9 | R8 L15 L16 | R8-I12 HydrophobicContact CG-CD1 4.05Å; R8-I12 WeakPolarHBondContact O-CB 3.33Å; R8-I12 WeakPolarHBondContact O-CD1 3.46Å; R8-I12 WeakPolarHBondContact O-CG1 3.48Å; R8-I12 PolarHBondContact O-N 3.34Å; I12-L15 PolarHBondContact O-N 2.94Å; I12-L16 HydrophobicContact CG2-CD1 3.87Å; I12-L16 WeakPolarHBondContact O-CB 3.3Å; I12-L16 WeakPolarHBondContact O-CD1 3.44Å; I12-L16 WeakPolarHBondContact O-CG 3.14Å; I12-L16 PolarHBondContact O-N 3.04Å |
| 13 | F | 57.8 | Low | 46.4 | Very low | 133 Ų | 133 | 117.3 Ų | 117.3 | 58% | 0.583 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.7 | -38.5 | 176.3 | -168.3 | -99.6 | 0 | 0 | 0 | 112 | K9 L10 L16 L17 | K9-F13 VanDerWaalsContact O-CB 3.26Å; K9-F13 WeakPolarHBondContact O-CB 3.38Å; K9-F13 PolarHBondContact O-N 3.24Å; L10-F13 PolarHBondContact O-N 3.04Å; F13-L16 PolarHBondContact O-N 3.49Å; F13-L17 HydrophobicContact CD1-CD1 3.68Å; F13-L17 HydrophobicContact CE1-CD1 3.24Å; F13-L17 HydrophobicContact CZ-CD1 3.75Å; F13-L17 PolarHBondContact O-N 3.48Å |
| 14 | L | 44.1 | Very low | 45.5 | Very low | 107 Ų | 107 | 118 Ų | 118 | 56% | 0.56 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.4 | -36.7 | 174.1 | -141.9 | 88.6 | 0 | 0 | 0 | 111.8 | L10 F11 L17 L18 | L10-L14 WeakPolarHBondContact O-CB 3.42Å; L10-L14 PolarHBondContact O-N 3.1Å; F11-L14 PolarHBondContact O-N 3.34Å; L14-L17 PolarHBondContact O-N 3.36Å; L14-L18 PolarHBondContact O-N 2.92Å |
| 15 | L | 46.1 | Very low | 44.5 | Very low | 95 Ų | 95 | 120.1 Ų | 120.1 | 50% | 0.497 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.6 | -41.7 | 173.5 | -121.1 | 105.2 | 0 | 0 | 0 | 111.6 | F11 I12 L17 L18 V19 | F11-L15 HydrophobicContact CD1-CD1 3.84Å; F11-L15 HydrophobicContact CE1-CD1 3.44Å; F11-L15 VanDerWaalsContact CE1-CD1 3.44Å; F11-L15 HydrophobicContact CZ-CD1 4.08Å; F11-L15 WeakPolarHBondContact O-CB 3.12Å; F11-L15 PolarHBondContact O-N 3.45Å; I12-L15 PolarHBondContact O-N 2.94Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L18 PolarHBondContact O-N 3.38Å; L15-V19 WeakPolarHBondContact O-CB 3.46Å; L15-V19 VanDerWaalsContact O-CG2 3.23Å; L15-V19 WeakPolarHBondContact O-CG2 3.34Å; L15-V19 PolarHBondContact O-N 2.92Å |
| 16 | L | 42.9 | Very low | 43.4 | Very low | 101 Ų | 101 | 121.2 Ų | 121.2 | 53% | 0.529 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.9 | -34.7 | 175.2 | -84.7 | 155.7 | 0 | 0 | 0 | 112.1 | I12 F13 T20 | I12-L16 HydrophobicContact CG2-CD1 3.87Å; I12-L16 WeakPolarHBondContact O-CB 3.3Å; I12-L16 WeakPolarHBondContact O-CD1 3.44Å; I12-L16 WeakPolarHBondContact O-CG 3.14Å; I12-L16 PolarHBondContact O-N 3.04Å; F13-L16 PolarHBondContact O-N 3.49Å; L16-T20 WeakPolarHBondContact O-CB 3.14Å; L16-T20 WeakPolarHBondContact O-CG2 3.34Å; L16-T20 PolarHBondContact O-N 3.38Å; L16-T20 PolarHBondContact O-OG1 3.19Å |
| 17 | L | 39.7 | Very low | 42.3 | Very low | 75 Ų | 75 | 119.6 Ų | 119.6 | 39% | 0.393 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -70.2 | -36 | 173 | -111.8 | 120 | 0 | 0 | 0 | 112.5 | F13 L14 L15 T20 I21 | F13-L17 HydrophobicContact CD1-CD1 3.68Å; F13-L17 HydrophobicContact CE1-CD1 3.24Å; F13-L17 HydrophobicContact CZ-CD1 3.75Å; F13-L17 PolarHBondContact O-N 3.48Å; L14-L17 PolarHBondContact O-N 3.36Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L17-T20 WeakPolarHBondContact CA-OG1 3.3Å; L17-T20 PolarHBondContact O-OG1 3.32Å; L17-I21 HydrophobicContact CD2-CD1 4.28Å; L17-I21 WeakPolarHBondContact O-CB 3.28Å; L17-I21 WeakPolarHBondContact O-CD1 3.35Å; L17-I21 WeakPolarHBondContact O-CG1 3.44Å; L17-I21 PolarHBondContact O-N 3.33Å |
| 18 | L | 38.8 | Very low | 41 | Very low | 115 Ų | 115 | 118.9 Ų | 118.9 | 60% | 0.602 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.9 | -42.7 | 173.7 | -114.1 | 88.4 | 0 | 0 | 0 | 111.8 | L14 L15 I21 E22 | L14-L18 PolarHBondContact O-N 2.92Å; L15-L18 PolarHBondContact O-N 3.38Å; L18-I21 PolarHBondContact O-N 2.85Å; L18-E22 PolarHBondContact O-N 3.2Å |
| 19 | V | 39.9 | Very low | 40.3 | Very low | 70 Ų | 70 | 118.6 Ų | 118.6 | 42% | 0.424 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.2 | -39.6 | 178.3 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | L15 E22 E23 | L15-V19 WeakPolarHBondContact O-CB 3.46Å; L15-V19 VanDerWaalsContact O-CG2 3.23Å; L15-V19 WeakPolarHBondContact O-CG2 3.34Å; L15-V19 PolarHBondContact O-N 2.92Å; V19-E22 PolarHBondContact O-N 2.9Å; V19-E23 PolarHBondContact O-N 3.24Å |
| 20 | T | 34.4 | Very low | 39.7 | Very low | 72 Ų | 72 | 114.4 Ų | 114.4 | 44% | 0.442 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -74 | -27.5 | 177.6 | 46.6 | 0 | 0 | 0 | 0 | 113.7 | L16 L17 A24 | L16-T20 WeakPolarHBondContact O-CB 3.14Å; L16-T20 WeakPolarHBondContact O-CG2 3.34Å; L16-T20 PolarHBondContact O-N 3.38Å; L16-T20 PolarHBondContact O-OG1 3.19Å; L17-T20 WeakPolarHBondContact CA-OG1 3.3Å; L17-T20 PolarHBondContact O-OG1 3.32Å; T20-A24 WeakPolarHBondContact O-CB 3.21Å; T20-A24 PolarHBondContact O-N 2.96Å |
| 21 | I | 32.2 | Very low | 39.3 | Very low | 108 Ų | 108 | 112.4 Ų | 112.4 | 55% | 0.554 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -75.6 | -30.2 | 172.8 | -70.8 | 168.2 | 0 | 0 | 0 | 111.4 | L17 L18 R25 | L17-I21 HydrophobicContact CD2-CD1 4.28Å; L17-I21 WeakPolarHBondContact O-CB 3.28Å; L17-I21 WeakPolarHBondContact O-CD1 3.35Å; L17-I21 WeakPolarHBondContact O-CG1 3.44Å; L17-I21 PolarHBondContact O-N 3.33Å; L18-I21 PolarHBondContact O-N 2.85Å; I21-R25 PolarHBondContact O-N 2.92Å |
| 22 | E | 32.5 | Very low | 39 | Very low | 150 Ų | 150 | 106 Ų | 106 | 70% | 0.701 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -74.1 | -38.7 | 174.6 | -148.2 | 167.3 | -162.7 | 0 | 0 | 111.6 | L18 V19 R25 | L18-E22 PolarHBondContact O-N 3.2Å; V19-E22 PolarHBondContact O-N 2.9Å; E22-R25 PolarHBondContact O-N 3.42Å |
| 23 | E | 32.5 | Very low | 38.9 | Very low | 138 Ų | 138 | 106.7 Ų | 106.7 | 65% | 0.645 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.2 | -35.1 | 171.1 | -93 | 170.4 | 152.8 | 0 | 0 | 113.2 | V19 R25 M26 | V19-E23 PolarHBondContact O-N 3.24Å; E23-R25 PolarHBondContact O-N 3.03Å; E23-M26 PolarHBondContact O-N 3.29Å |
| 24 | A | 27.5 | Very low | 38.9 | Very low | 72 Ų | 72 | 102 Ų | 102 | 60% | 0.595 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -14.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | T20 | T20-A24 WeakPolarHBondContact O-CB 3.21Å; T20-A24 PolarHBondContact O-N 2.96Å |
| 25 | R | 26 | Very low | 39.2 | Very low | 220 Ų | 220 | 104.6 Ų | 104.6 | 83% | 0.83 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -5 | 178.7 | -139.1 | 177.2 | -174.1 | -172.1 | 1.1 | 114.1 | I21 E22 E23 | I21-R25 PolarHBondContact O-N 2.92Å; E22-R25 PolarHBondContact O-N 3.42Å; E23-R25 PolarHBondContact O-N 3.03Å |
| 26 | M | 29.5 | Very low | 38.9 | Very low | 171 Ų | 171 | 107.4 Ų | 107.4 | 84% | 0.842 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -107.8 | 5.7 | -179.8 | -84.5 | -81.9 | 170.4 | 0 | 0 | 114.4 | E23 S28 | E23-M26 PolarHBondContact O-N 3.29Å; M26-S28 PolarHBondContact O-N 3.23Å |
| 27 | S | 31.2 | Very low | 39 | Very low | 102 Ų | 102 | 108.2 Ų | 108.2 | 71% | 0.713 | 57% | 0.571 | S | S | * | * | trans | -99.1 | 54.8 | 170.7 | 57.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 28 | S | 29.5 | Very low | 39.5 | Very low | 94 Ų | 94 | 113.2 Ų | 113.2 | 66% | 0.657 | 59% | 0.592 | S | S | * | * | trans | -95.1 | 107.2 | 168.9 | 64.6 | 0 | 0 | 0 | 0 | 110.5 | M26 | M26-S28 PolarHBondContact O-N 3.23Š| ||
| 29 | L | 39.7 | Very low | 40.2 | Very low | 155 Ų | 155 | 111 Ų | 111 | 81% | 0.812 | 58% | 0.58 | S | S | * | * | trans | 51.3 | 80 | 162 | -72 | 120.3 | 0 | 0 | 0 | 116.6 | ||||
| 30 | S | 45.2 | Very low | 41.1 | Very low | 77 Ų | 77 | 108.5 Ų | 108.5 | 54% | 0.538 | 56% | 0.564 | S | S | . | * | trans | -109.4 | 129 | 158.2 | 65.4 | 0 | 0 | 0 | 0 | 110 | L32 E121 | S30-L32 VanDerWaalsContact C-N 3.34Å; S30-L32 PolarHBondContact OG-O 3.3Å; S30-E121 WeakPolarHBondContact CA-OE1 3.24Å; S30-E121 WeakPolarHBondContact CB-OE1 3.44Å | ||
| 31 | F | 45.4 | Very low | 42 | Very low | 78 Ų | 78 | 110.5 Ų | 110.5 | 34% | 0.342 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -83.4 | -14.7 | 174.2 | -65.6 | -83.4 | 0 | 0 | 0 | 112.2 | S53 S54 Y55 I120 E121 | F31-S53 VanDerWaalsContact O-CA 3.25Å; F31-S53 WeakPolarHBondContact O-CA 3.24Å; F31-S53 PolarHBondContact O-OG 3.37Å; F31-S54 PolarHBondContact O-N 3.35Å; F31-S54 PolarHBondContact O-OG 3.49Å; F31-Y55 HydrophobicContact CD1-CD2 4.03Å; F31-Y55 HydrophobicContact CE1-CD2 4.28Å; F31-Y55 HydrophobicContact CG-CD2 4.33Å; F31-I120 HydrophobicContact CD2-CG2 4.23Å; F31-E121 VanDerWaalsContact CA-OE2 3.26Å; F31-E121 WeakPolarHBondContact CA-OE2 3.45Å; F31-E121 VanDerWaalsContact CB-OE2 3.29Å; F31-E121 WeakPolarHBondContact CB-OE2 3.42Å; F31-E121 PolarHBondContact N-OE2 2.9Å |
| 32 | L | 50 | Low | 43.6 | Very low | 6 Ų | 6 | 105.8 Ų | 105.8 | 3% | 0.031 | 54% | 0.543 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130.2 | 176.3 | -68.1 | 169.2 | 0 | 0 | 0 | 110.5 | S30 V51 L65 I107 L109 E121 I123 | S30-L32 VanDerWaalsContact C-N 3.34Å; S30-L32 PolarHBondContact OG-O 3.3Å; L32-V51 HydrophobicContact CD2-CG1 3.81Å; L32-L65 HydrophobicContact CD2-CD1 4.49Å; L32-I107 HydrophobicContact CD1-CG2 4.45Å; L32-L109 HydrophobicContact CD1-CB 3.99Å; L32-L109 HydrophobicContact CD2-CB 4.28Å; L32-L109 HydrophobicContact CD2-CD2 4.17Å; L32-L109 HydrophobicContact CG-CB 4.36Å; L32-L109 HydrophobicContact CG-CD2 4.35Å; L32-E121 HydrophobicContact CD1-CB 4.12Å; L32-E121 HydrophobicContact CD1-CG 4.16Å; L32-E121 PolarHBondContact N-OE2 3.44Å; L32-I123 HydrophobicContact CB-CD1 3.64Å; L32-I123 HydrophobicContact CB-CG1 4.38Å; L32-I123 HydrophobicContact CD1-CD1 3.92Å; L32-I123 HydrophobicContact CD1-CG1 3.99Å; L32-I123 HydrophobicContact CG-CD1 4.45Å |
| 33 | N | 52.7 | Low | 44.3 | Very low | 102 Ų | 102 | 102.3 Ų | 102.3 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 124.2 | 171.7 | -163 | 0.3 | 0 | 0 | 0 | 109.6 | S52 | N33-S52 PolarHBondContact N-O 3.44Å; N33-S52 PolarHBondContact O-N 2.94Å; N33-S52 PolarHBondContact O-OG 3.49Å |
| 34 | I | 56.9 | Low | 45.2 | Very low | 34 Ų | 34 | 102.6 Ų | 102.6 | 17% | 0.174 | 53% | 0.531 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 115.2 | 173.6 | -58.5 | 174.8 | 0 | 0 | 0 | 105.6 | K36 V51 I107 I123 V126 | I34-K36 PolarHBondContact O-N 3.41Å; I34-V51 HydrophobicContact CG1-CG1 4.28Å; I34-V51 HydrophobicContact CG1-CG2 4.35Å; I34-I107 HydrophobicContact CD1-CD1 3.94Å; I34-I123 HydrophobicContact CD1-CD1 3.91Å; I34-I123 HydrophobicContact CG1-CD1 4.25Å; I34-V126 HydrophobicContact CD1-CG2 4.02Å |
| 35 | E | 50.2 | Low | 46.2 | Very low | 161 Ų | 161 | 104.3 Ų | 104.3 | 75% | 0.752 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -64.1 | 4.7 | -172.4 | -106.9 | -176 | 177.6 | 0 | 0 | 115.4 | ||
| 36 | K | 40.9 | Very low | 47.2 | Very low | 154 Ų | 154 | 101.6 Ų | 101.6 | 67% | 0.67 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -143.3 | 133.5 | 176.9 | -73.4 | -178.2 | 178.5 | 166.4 | 0 | 112.2 | I34 L40 | I34-K36 PolarHBondContact O-N 3.41Å; K36-L40 HydrophobicContact CB-CD2 4.16Å |
| 37 | T | 44.9 | Very low | 48.7 | Very low | 119 Ų | 119 | 95.1 Ų | 95.1 | 73% | 0.73 | 50% | 0.496 | S | S | * | . | trans | -8.1 | 147.1 | 164.9 | 37.2 | 0 | 0 | 0 | 0 | 118.1 | I39 | T37-I39 CarbonylContact O-C 3.4Å; T37-I39 PolarHBondContact O-N 3.2Å | ||
| 38 | E | 50.1 | Low | 49.6 | Very low | 180 Ų | 180 | 93.9 Ų | 93.9 | 84% | 0.841 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -38.7 | -14.1 | 178.8 | -62.6 | -179.2 | 152.4 | 0 | 0 | 118.2 | ||
| 39 | I | 54.2 | Low | 51.1 | Low | 68 Ų | 68 | 89.9 Ų | 89.9 | 35% | 0.349 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 120.5 | 175.8 | -53.3 | 174.9 | 0 | 0 | 0 | 109.9 | T37 F41 K127 K129 | T37-I39 CarbonylContact O-C 3.4Å; T37-I39 PolarHBondContact O-N 3.2Å; I39-F41 HydrophobicContact CB-CE2 4.25Å; I39-F41 HydrophobicContact CB-CZ 4.43Å; I39-F41 HydrophobicContact CG2-CD2 4.44Å; I39-F41 HydrophobicContact CG2-CE1 4.21Å; I39-F41 HydrophobicContact CG2-CE2 3.92Å; I39-F41 HydrophobicContact CG2-CZ 3.8Å; I39-K127 CarbonylContact C-O 3.54Å; I39-K127 WeakPolarHBondContact CA-O 3.43Å; I39-K127 HydrophobicContact CG1-CB 4.28Å; I39-K129 HydrophobicContact CG2-CB 4.26Å |
| 40 | L | 58.4 | Low | 51.9 | Low | 17 Ų | 17 | 86.7 Ų | 86.7 | 9% | 0.089 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 127.1 | 173.8 | -65.9 | 172.8 | 0 | 0 | 0 | 110.3 | K36 F42 I49 V126 K127 V128 K129 | K36-L40 HydrophobicContact CB-CD2 4.16Å; L40-F42 HydrophobicContact CB-CE1 3.93Å; L40-F42 HydrophobicContact CB-CZ 4.35Å; L40-F42 HydrophobicContact CD1-CZ 4.44Å; L40-I49 HydrophobicContact CD1-CD1 3.59Å; L40-I49 HydrophobicContact CD1-CG1 4.08Å; L40-I49 HydrophobicContact CD1-CG2 4.38Å; L40-V126 HydrophobicContact CD1-CG1 3.87Å; L40-V126 HydrophobicContact CG-CG1 4.38Å; L40-K127 PolarHBondContact N-O 3.14Å; L40-V128 HydrophobicContact CB-CG2 4.29Å; L40-V128 HydrophobicContact CD1-CG2 4.38Å; L40-V128 WeakPolarHBondContact O-CA 3.3Å; L40-K129 PolarHBondContact O-N 2.77Å |
| 41 | F | 52.3 | Low | 52.7 | Low | 115 Ų | 115 | 83 Ų | 83 | 50% | 0.504 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 115.8 | 179.9 | -66.9 | -83.9 | 0 | 0 | 0 | 110.5 | I39 K129 L131 | I39-F41 HydrophobicContact CB-CE2 4.25Å; I39-F41 HydrophobicContact CB-CZ 4.43Å; I39-F41 HydrophobicContact CG2-CD2 4.44Å; I39-F41 HydrophobicContact CG2-CE1 4.21Å; I39-F41 HydrophobicContact CG2-CE2 3.92Å; I39-F41 HydrophobicContact CG2-CZ 3.8Å; F41-K129 WeakPolarHBondContact CA-O 3.44Å; F41-K129 HydrophobicContact CD1-CB 4.15Å; F41-K129 HydrophobicContact CD1-CD 4.48Å; F41-K129 HydrophobicContact CD1-CG 4.47Å; F41-K129 HydrophobicContact CE1-CB 4.3Å; F41-K129 HydrophobicContact CE1-CD 4.04Å; F41-K129 HydrophobicContact CE1-CG 4.5Å; F41-L131 HydrophobicContact CD1-CD1 3.59Å; F41-L131 HydrophobicContact CD1-CG 4.18Å; F41-L131 HydrophobicContact CE1-CD1 4.23Å; F41-L131 HydrophobicContact CG-CD1 4.47Å |
| 42 | F | 66.1 | Low | 52.9 | Low | 8 Ų | 8 | 80.6 Ų | 80.6 | 4% | 0.035 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 131.8 | 177.2 | -62.2 | -12.3 | 0 | 0 | 0 | 110.6 | L40 E47 I49 L75 L95 T97 V128 K129 V130 L131 | L40-F42 HydrophobicContact CB-CE1 3.93Å; L40-F42 HydrophobicContact CB-CZ 4.35Å; L40-F42 HydrophobicContact CD1-CZ 4.44Å; F42-E47 WeakPolarHBondContact CA-OE2 3.48Å; F42-E47 HydrophobicContact CB-CG 4.45Å; F42-E47 WeakPolarHBondContact CB-OE2 3.39Å; F42-E47 HydrophobicContact CD1-CB 4.28Å; F42-E47 WeakPolarHBondContact CD1-OE2 3.49Å; F42-E47 HydrophobicContact CG-CB 4.29Å; F42-E47 HydrophobicContact CG-CG 4.5Å; F42-E47 WeakPolarHBondContact CG-OE2 3.45Å; F42-I49 HydrophobicContact CE1-CG1 4.29Å; F42-I49 HydrophobicContact CZ-CD1 3.81Å; F42-I49 HydrophobicContact CZ-CG1 3.69Å; F42-L75 HydrophobicContact CD2-CD1 3.82Å; F42-L75 HydrophobicContact CE2-CD1 3.87Å; F42-L75 HydrophobicContact CE2-CD2 4.34Å; F42-L95 HydrophobicContact CE2-CB 4.47Å; F42-L95 HydrophobicContact CE2-CD1 3.61Å; F42-L95 HydrophobicContact CZ-CD1 3.83Å; F42-T97 HydrophobicContact CB-CG2 4.14Å; F42-T97 HydrophobicContact CD2-CG2 4.04Å; F42-V128 HydrophobicContact CD2-CG1 3.45Å; F42-V128 VanDerWaalsContact CD2-CG1 3.45Å; F42-V128 HydrophobicContact CE2-CG1 3.43Å; F42-V128 VanDerWaalsContact CE2-CG1 3.43Å; F42-V128 HydrophobicContact CE2-CG2 4.48Å; F42-V128 HydrophobicContact CG-CG1 4.05Å; F42-V128 HydrophobicContact CZ-CG1 4.01Å; F42-K129 PolarHBondContact N-O 3.33Å; F42-V130 HydrophobicContact CB-CG2 4.47Å; F42-V130 HydrophobicContact CD2-CG2 4.48Å; F42-L131 CarbonylContact O-C 3.59Å; F42-L131 PolarHBondContact O-N 3.37Å; F42-L131 VanDerWaalsContact O-O 3.05Å |
| 43 | T | 47.6 | Very low | 53.1 | Low | 78 Ų | 78 | 80.5 Ų | 80.5 | 48% | 0.479 | 41% | 0.405 | S | S | . | . | trans | -121 | -20.2 | -175.1 | 57.6 | 0 | 0 | 0 | 0 | 113.1 | E47 | T43-E47 PolarHBondContact N-OE1 3.36Å; T43-E47 PolarHBondContact OG1-OE1 3.23Å | ||
| 44 | K | 50.2 | Low | 53 | Low | 144 Ų | 144 | 79.5 Ų | 79.5 | 63% | 0.626 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -108.8 | 160.3 | -179 | -64.1 | -179.4 | -179.1 | 178 | 0 | 112.3 | K46 E47 T97 | K44-K46 PolarHBondContact O-N 3.47Å; K44-E47 HydrophobicContact CB-CG 3.96Å; K44-E47 PolarHBondContact N-OE1 3.48Å; K44-T97 PolarHBondContact O-OG1 3.34Å |
| 45 | T | 49.5 | Very low | 52.8 | Low | 108 Ų | 108 | 79.4 Ų | 79.4 | 66% | 0.663 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -66.4 | -23 | 176.5 | 45 | 0 | 0 | 0 | 0 | 113.7 | V96 T97 | T45-V96 WeakPolarHBondContact O-CA 3.34Å; T45-T97 WeakPolarHBondContact CA-OG1 3.48Å; T45-T97 PolarHBondContact O-N 2.89Å |
| 46 | K | 46.4 | Very low | 53 | Low | 163 Ų | 163 | 80 Ų | 80 | 71% | 0.709 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132 | 121.8 | 172.7 | -73.2 | -178 | 179 | -178.3 | 0 | 109.1 | K44 V96 | K44-K46 PolarHBondContact O-N 3.47Å; K46-V96 HydrophobicContact CG-CG2 4.01Å |
| 47 | E | 60.5 | Low | 53.7 | Low | 34 Ų | 34 | 74.7 Ų | 74.7 | 16% | 0.159 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 156.8 | 176.2 | -69.7 | -156.6 | -174.3 | 0 | 0 | 111.6 | F42 T43 K44 L95 | F42-E47 WeakPolarHBondContact CA-OE2 3.48Å; F42-E47 HydrophobicContact CB-CG 4.45Å; F42-E47 WeakPolarHBondContact CB-OE2 3.39Å; F42-E47 HydrophobicContact CD1-CB 4.28Å; F42-E47 WeakPolarHBondContact CD1-OE2 3.49Å; F42-E47 HydrophobicContact CG-CB 4.29Å; F42-E47 HydrophobicContact CG-CG 4.5Å; F42-E47 WeakPolarHBondContact CG-OE2 3.45Å; T43-E47 PolarHBondContact N-OE1 3.36Å; T43-E47 PolarHBondContact OG1-OE1 3.23Å; K44-E47 HydrophobicContact CB-CG 3.96Å; K44-E47 PolarHBondContact N-OE1 3.48Å; E47-L95 PolarHBondContact N-O 2.97Å; E47-L95 PolarHBondContact O-N 2.97Å; E47-L95 VanDerWaalsContact O-O 3.13Å |
| 48 | T | 50.5 | Low | 54.2 | Low | 76 Ų | 76 | 75.2 Ų | 75.2 | 47% | 0.466 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 125.8 | -172.6 | -57 | 0 | 0 | 0 | 0 | 109.2 | T92 I93 N94 | T48-T92 HydrophobicContact CG2-CG2 3.12Å; T48-I93 CarbonylContact C-O 3.6Å; T48-I93 WeakPolarHBondContact CA-O 3.15Å; T48-N94 VanDerWaalsContact CG2-OD1 3.27Å; T48-N94 WeakPolarHBondContact CG2-OD1 3.45Å; T48-N94 PolarHBondContact OG1-OD1 3.41Å |
| 49 | I | 62.3 | Low | 54.3 | Low | 10 Ų | 10 | 72 Ų | 72 | 5% | 0.051 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 131.3 | 170.1 | -53.1 | 174.9 | 0 | 0 | 0 | 107.9 | L40 F42 V51 T92 I93 L95 | L40-I49 HydrophobicContact CD1-CD1 3.59Å; L40-I49 HydrophobicContact CD1-CG1 4.08Å; L40-I49 HydrophobicContact CD1-CG2 4.38Å; F42-I49 HydrophobicContact CE1-CG1 4.29Å; F42-I49 HydrophobicContact CZ-CD1 3.81Å; F42-I49 HydrophobicContact CZ-CG1 3.69Å; I49-V51 HydrophobicContact CG2-CG2 3.91Å; I49-T92 CarbonylContact O-C 3.44Å; I49-T92 WeakPolarHBondContact O-CA 3.29Å; I49-I93 HydrophobicContact CB-CB 4.34Å; I49-I93 PolarHBondContact N-O 3.46Å; I49-I93 PolarHBondContact O-N 3.03Å; I49-L95 HydrophobicContact CD1-CD1 3.4Å; I49-L95 VanDerWaalsContact CD1-CD1 3.4Å; I49-L95 HydrophobicContact CG1-CD1 3.77Å |
| 50 | I | 56.5 | Low | 54.2 | Low | 88 Ų | 88 | 75 Ų | 75 | 45% | 0.451 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 123.8 | 168.4 | -56.1 | 173.7 | 0 | 0 | 0 | 107.3 | ||
| 51 | V | 61.2 | Low | 54.2 | Low | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 115.1 | 173.8 | -175.5 | 0 | 0 | 0 | 0 | 106.7 | L32 I34 I49 L65 F91 I93 I107 | L32-V51 HydrophobicContact CD2-CG1 3.81Å; I34-V51 HydrophobicContact CG1-CG1 4.28Å; I34-V51 HydrophobicContact CG1-CG2 4.35Å; I49-V51 HydrophobicContact CG2-CG2 3.91Å; V51-L65 HydrophobicContact CB-CD1 4.2Å; V51-L65 HydrophobicContact CG1-CD1 4.11Å; V51-F91 HydrophobicContact CB-CB 4.48Å; V51-F91 PolarHBondContact N-O 3.31Å; V51-F91 PolarHBondContact O-N 3.02Å; V51-I93 HydrophobicContact CG2-CD1 3.7Å; V51-I107 HydrophobicContact CG2-CD1 4.29Å |
| 52 | S | 49 | Very low | 54.6 | Low | 28 Ų | 28 | 74.3 Ų | 74.3 | 20% | 0.196 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 135.7 | 175.3 | 54.2 | 0 | 0 | 0 | 0 | 109.4 | N33 N90 | N33-S52 PolarHBondContact N-O 3.44Å; N33-S52 PolarHBondContact O-N 2.94Å; N33-S52 PolarHBondContact O-OG 3.49Å; S52-N90 VanDerWaalsContact CB-OD1 3.26Å; S52-N90 WeakPolarHBondContact CB-OD1 3.33Å |
| 53 | S | 55.5 | Low | 54.4 | Low | 3 Ų | 3 | 74.2 Ų | 74.2 | 2% | 0.021 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129.6 | 174.4 | -173.1 | 0 | 0 | 0 | 0 | 110.2 | F31 Y55 T89 | F31-S53 VanDerWaalsContact O-CA 3.25Å; F31-S53 WeakPolarHBondContact O-CA 3.24Å; F31-S53 PolarHBondContact O-OG 3.37Å; S53-Y55 VanDerWaalsContact C-N 3.26Å; S53-Y55 WeakPolarHBondContact OG-CB 3.49Å; S53-Y55 PolarHBondContact OG-N 3.32Å; S53-T89 PolarHBondContact N-O 3.46Å; S53-T89 PolarHBondContact O-N 2.92Å |
| 54 | S | 50.1 | Low | 55.3 | Low | 81 Ų | 81 | 74 Ų | 74 | 57% | 0.566 | 38% | 0.383 | S | S | * | . | trans | -87.8 | 7.7 | 171.9 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | F31 E56 | F31-S54 PolarHBondContact O-N 3.35Å; F31-S54 PolarHBondContact O-OG 3.49Å; S54-E56 PolarHBondContact O-N 2.96Å | ||
| 55 | Y | 52.8 | Low | 56.1 | Low | 32 Ų | 32 | 67.8 Ų | 67.8 | 13% | 0.125 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -75 | 122 | 177.8 | -169.5 | -98.9 | 0 | 0 | 0 | 110.8 | F31 S53 L109 D111 I120 | F31-Y55 HydrophobicContact CD1-CD2 4.03Å; F31-Y55 HydrophobicContact CE1-CD2 4.28Å; F31-Y55 HydrophobicContact CG-CD2 4.33Å; S53-Y55 VanDerWaalsContact C-N 3.26Å; S53-Y55 WeakPolarHBondContact OG-CB 3.49Å; S53-Y55 PolarHBondContact OG-N 3.32Å; Y55-L109 HydrophobicContact CG-CD2 4.48Å; Y55-D111 PolarHBondContact OH-OD2 2.87Å; Y55-I120 HydrophobicContact CD1-CD1 3.87Å; Y55-I120 HydrophobicContact CD2-CD1 4.11Å; Y55-I120 HydrophobicContact CD2-CG2 4.08Å; Y55-I120 HydrophobicContact CE1-CD1 3.6Å; Y55-I120 HydrophobicContact CE2-CD1 3.86Å; Y55-I120 HydrophobicContact CE2-CG2 4.02Å; Y55-I120 HydrophobicContact CG-CD1 4.12Å |
| 56 | E | 54.9 | Low | 56.8 | Low | 174 Ų | 174 | 67.7 Ų | 67.7 | 81% | 0.813 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -82.8 | 120.9 | 170.4 | -72.7 | -171.7 | 162.6 | 0 | 0 | 110 | S54 K58 | S54-E56 PolarHBondContact O-N 2.96Å; E56-K58 PolarHBondContact O-N 3.02Å |
| 57 | D | 55.9 | Low | 57.9 | Low | 43 Ų | 43 | 60.4 Ų | 60.4 | 23% | 0.23 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -63 | 130.2 | 178.3 | -70.1 | -10.9 | 0 | 0 | 0 | 111.1 | Q59 S63 K82 | D57-Q59 VanDerWaalsContact C-N 3.33Å; D57-Q59 WeakPolarHBondContact CB-O 3.36Å; D57-S63 WeakPolarHBondContact OD1-CB 3.38Å; D57-S63 PolarHBondContact OD1-OG 2.87Å; D57-K82 IonicContact OD1-NZ 3.65Å; D57-K82 IonicContact OD2-NZ 2.77Å; D57-K82 PolarHBondContact OD2-NZ 3.04Å |
| 58 | K | 53.3 | Low | 58.2 | Low | 129 Ų | 129 | 64.7 Ų | 64.7 | 56% | 0.561 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -74.1 | -23.4 | 173.8 | -71.8 | 172.1 | 172.2 | 173 | 0 | 113.3 | E56 E113 | E56-K58 PolarHBondContact O-N 3.02Å; K58-E113 WeakPolarHBondContact CD-OE1 3.47Å; K58-E113 IonicContact NZ-OE1 2.7Å; K58-E113 PolarHBondContact NZ-OE1 2.86Å |
| 59 | Q | 52.8 | Low | 59.1 | Low | 114 Ų | 114 | 62.4 Ų | 62.4 | 53% | 0.533 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -134.2 | 145.4 | 171.7 | -74.9 | -176 | -5.1 | 0 | 0 | 109.4 | D57 N61 S62 | D57-Q59 VanDerWaalsContact C-N 3.33Å; D57-Q59 WeakPolarHBondContact CB-O 3.36Å; Q59-N61 PolarHBondContact O-N 2.95Å; Q59-N61 VanDerWaalsContact O-N 3.09Å; Q59-S62 WeakPolarHBondContact O-CB 3.43Å; Q59-S62 PolarHBondContact O-N 3.43Å; Q59-S62 VanDerWaalsContact O-N 3.07Å; Q59-S62 PolarHBondContact O-OG 2.88Å; Q59-S62 VanDerWaalsContact O-OG 3.06Å |
| 60 | P | 52.8 | Low | 59.5 | Low | 131 Ų | 131 | 67 Ų | 67 | 85% | 0.851 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 121.5 | -176.1 | 22 | -31.4 | 0 | 0 | 0 | 111.1 | ||
| 61 | N | 58.3 | Low | 59.9 | Low | 112 Ų | 112 | 65.7 Ų | 65.7 | 60% | 0.599 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 20.6 | -178.7 | -91.3 | -9.1 | 0 | 0 | 0 | 116.5 | Q59 S63 | Q59-N61 PolarHBondContact O-N 2.95Å; Q59-N61 VanDerWaalsContact O-N 3.09Å; N61-S63 PolarHBondContact O-N 3.33Å |
| 62 | S | 59.4 | Low | 59.9 | Low | 5 Ų | 5 | 69.6 Ų | 69.6 | 4% | 0.035 | 36% | 0.359 | C | S | . | . | trans | -73 | -25.6 | -178.9 | 64.4 | 0 | 0 | 0 | 0 | 114.5 | Q59 D111 S112 | Q59-S62 WeakPolarHBondContact O-CB 3.43Å; Q59-S62 PolarHBondContact O-N 3.43Å; Q59-S62 VanDerWaalsContact O-N 3.07Å; Q59-S62 PolarHBondContact O-OG 2.88Å; Q59-S62 VanDerWaalsContact O-OG 3.06Å; S62-D111 VanDerWaalsContact C-OD1 3.25Å; S62-D111 WeakPolarHBondContact CB-OD1 3.32Å; S62-D111 PolarHBondContact OG-OD1 3.44Å; S62-S112 PolarHBondContact O-N 2.9Å; S62-S112 VanDerWaalsContact O-N 3.12Å; S62-S112 PolarHBondContact O-OG 3.21Å | ||
| 63 | S | 63.6 | Low | 60.2 | Low | 5 Ų | 5 | 75.1 Ų | 75.1 | 4% | 0.035 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 133.7 | 178.1 | 68.1 | 0 | 0 | 0 | 0 | 113.5 | D57 N61 K82 W110 | D57-S63 WeakPolarHBondContact OD1-CB 3.38Å; D57-S63 PolarHBondContact OD1-OG 2.87Å; N61-S63 PolarHBondContact O-N 3.33Å; S63-K82 PolarHBondContact O-NZ 3.3Å; S63-K82 PolarHBondContact OG-NZ 3.37Å; S63-W110 VanDerWaalsContact CA-O 3.29Å; S63-W110 WeakPolarHBondContact CA-O 3.43Å |
| 64 | H | 65.2 | Low | 60.2 | Low | 75 Ų | 75 | 75.8 Ų | 75.8 | 35% | 0.347 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 153.7 | 173 | 63.6 | -83.2 | 0 | 0 | 0 | 111 | W110 | H64-W110 PolarHBondContact N-O 2.72Å; H64-W110 PolarHBondContact O-N 3.09Å |
| 65 | L | 67.6 | Low | 60.6 | Low | 13 Ų | 13 | 71.9 Ų | 71.9 | 7% | 0.068 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 120.4 | -175.4 | -168.8 | 156.3 | 0 | 0 | 0 | 109.2 | L32 V51 V67 V80 F91 I93 I107 Q108 | L32-L65 HydrophobicContact CD2-CD1 4.49Å; V51-L65 HydrophobicContact CB-CD1 4.2Å; V51-L65 HydrophobicContact CG1-CD1 4.11Å; L65-V67 HydrophobicContact CD2-CG2 3.26Å; L65-V80 HydrophobicContact CB-CG1 4.31Å; L65-F91 HydrophobicContact CB-CB 4.48Å; L65-F91 HydrophobicContact CB-CD1 3.82Å; L65-F91 HydrophobicContact CB-CE1 4.14Å; L65-F91 HydrophobicContact CB-CG 4.06Å; L65-F91 HydrophobicContact CD1-CB 3.73Å; L65-F91 HydrophobicContact CD1-CD1 4.45Å; L65-F91 HydrophobicContact CD1-CD2 4.04Å; L65-F91 HydrophobicContact CD1-CG 3.83Å; L65-I93 HydrophobicContact CD2-CD1 3.87Å; L65-I93 HydrophobicContact CD2-CG1 4.26Å; L65-I107 HydrophobicContact CD1-CG2 3.92Å; L65-I107 HydrophobicContact CD2-CG2 3.72Å; L65-I107 HydrophobicContact CG-CG2 3.9Å; L65-Q108 WeakPolarHBondContact CA-O 3.15Å |
| 66 | F | 63.4 | Low | 60.8 | Low | 105 Ų | 105 | 75 Ų | 75 | 46% | 0.461 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 126.7 | 176.8 | -171.9 | -99.3 | 0 | 0 | 0 | 109.6 | K68 Q108 | F66-K68 HydrophobicContact CE1-CB 4.18Å; F66-Q108 HydrophobicContact CB-CB 4.35Å; F66-Q108 PolarHBondContact N-O 3.48Å; F66-Q108 PolarHBondContact O-N 2.98Å |
| 67 | V | 70.4 | Confident | 60.9 | Low | 11 Ų | 11 | 70.5 Ų | 70.5 | 7% | 0.067 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 119.1 | -179.1 | -173.4 | 0 | 0 | 0 | 0 | 108.6 | L65 I69 V80 I93 V105 | L65-V67 HydrophobicContact CD2-CG2 3.26Å; V67-I69 HydrophobicContact CG1-CG1 4.38Å; V67-V80 HydrophobicContact CG2-CG2 4.25Å; V67-I93 HydrophobicContact CG2-CD1 3.73Å; V67-I93 HydrophobicContact CG2-CG1 4.15Å; V67-I93 HydrophobicContact CG2-CG2 4.15Å; V67-V105 HydrophobicContact CG1-CG1 3.42Å; V67-V105 VanDerWaalsContact CG1-CG1 3.42Å |
| 68 | K | 67.3 | Low | 61 | Low | 123 Ų | 123 | 72.7 Ų | 72.7 | 54% | 0.535 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 123.5 | 173.4 | -171.3 | 178.1 | -179.3 | -178.5 | 0 | 109.4 | F66 I106 | F66-K68 HydrophobicContact CE1-CB 4.18Å; K68-I106 HydrophobicContact CB-CB 4.32Å; K68-I106 PolarHBondContact N-O 2.85Å; K68-I106 PolarHBondContact O-N 3.5Å |
| 69 | I | 68.8 | Low | 61.1 | Low | 29 Ų | 29 | 69.8 Ų | 69.8 | 15% | 0.149 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 128.1 | 177.2 | -57.4 | 175.5 | 0 | 0 | 0 | 107.9 | V67 L75 M77 L95 T103 V105 | V67-I69 HydrophobicContact CG1-CG1 4.38Å; I69-L75 HydrophobicContact CD1-CB 4.44Å; I69-L75 HydrophobicContact CD1-CD2 4.22Å; I69-L75 HydrophobicContact CD1-CG 4.17Å; I69-L75 WeakPolarHBondContact CD1-O 3.42Å; I69-L75 HydrophobicContact CG2-CB 4.14Å; I69-M77 HydrophobicContact CD1-CB 3.97Å; I69-L95 HydrophobicContact CD1-CD2 4.28Å; I69-T103 HydrophobicContact CG2-CG2 4.43Å; I69-V105 HydrophobicContact CG1-CG2 4.47Å |
| 70 | E | 69.9 | Low | 61.4 | Low | 106 Ų | 106 | 66.5 Ų | 66.5 | 50% | 0.495 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -70.8 | -36.9 | -178.5 | -75.4 | -173 | 167.4 | 0 | 0 | 113 | N104 | E70-N104 HydrophobicContact CG-CB 4.35Å; E70-N104 PolarHBondContact N-O 2.9Å; E70-N104 WeakPolarHBondContact OE2-CB 3.42Å; E70-N104 PolarHBondContact OE2-ND2 3.15Å |
| 71 | D | 66 | Low | 61.9 | Low | 61 Ų | 61 | 63 Ų | 63 | 33% | 0.326 | 32% | 0.32 | S | S | . | . | trans | -122.7 | 97.3 | 176.7 | -164.9 | -15.5 | 0 | 0 | 0 | 112.2 | K73 I74 L75 T103 | D71-K73 PolarHBondContact O-N 3.39Å; D71-K73 WeakPolarHBondContact OD1-CB 3.3Å; D71-K73 PolarHBondContact OD1-N 2.86Å; D71-I74 HydrophobicContact CB-CD1 4.03Å; D71-I74 HydrophobicContact CB-CG1 4.33Å; D71-I74 PolarHBondContact O-N 3.11Å; D71-I74 WeakPolarHBondContact OD2-CD1 3.34Å; D71-L75 PolarHBondContact O-N 3.22Å; D71-T103 PolarHBondContact N-OG1 3.11Å | ||
| 72 | P | 60.2 | Low | 62 | Low | 81 Ų | 81 | 60.1 Ų | 60.1 | 53% | 0.526 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -10.1 | -179.1 | 28.7 | -34.3 | 0 | 0 | 0 | 113.7 | L75 Q76 | P72-L75 WeakPolarHBondContact CA-O 3.18Å; P72-Q76 WeakPolarHBondContact O-CG 3.4Å |
| 73 | K | 56.1 | Low | 62 | Low | 144 Ų | 144 | 66.9 Ų | 66.9 | 63% | 0.626 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -25 | 174.6 | -64.7 | -178.4 | 178 | 179.1 | 0 | 112.6 | D71 D98 | D71-K73 PolarHBondContact O-N 3.39Å; D71-K73 WeakPolarHBondContact OD1-CB 3.3Å; D71-K73 PolarHBondContact OD1-N 2.86Å; K73-D98 WeakPolarHBondContact O-CB 3.48Å |
| 74 | I | 55.9 | Low | 61.7 | Low | 17 Ų | 17 | 72.2 Ų | 72.2 | 9% | 0.087 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -40.6 | -178.9 | -63.3 | 173 | 0 | 0 | 0 | 110.2 | D71 D98 T103 V130 | D71-I74 HydrophobicContact CB-CD1 4.03Å; D71-I74 HydrophobicContact CB-CG1 4.33Å; D71-I74 PolarHBondContact O-N 3.11Å; D71-I74 WeakPolarHBondContact OD2-CD1 3.34Å; I74-D98 PolarHBondContact O-N 3.49Å; I74-T103 HydrophobicContact CG2-CG2 4.19Å; I74-V130 HydrophobicContact CG2-CB 4.41Å; I74-V130 HydrophobicContact CG2-CG2 3.96Å |
| 75 | L | 56.9 | Low | 61.1 | Low | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 128.6 | -171.5 | -168 | 72.9 | 0 | 0 | 0 | 110.6 | F42 I69 D71 P72 L95 T97 T103 V105 V128 V130 | F42-L75 HydrophobicContact CD2-CD1 3.82Å; F42-L75 HydrophobicContact CE2-CD1 3.87Å; F42-L75 HydrophobicContact CE2-CD2 4.34Å; I69-L75 HydrophobicContact CD1-CB 4.44Å; I69-L75 HydrophobicContact CD1-CD2 4.22Å; I69-L75 HydrophobicContact CD1-CG 4.17Å; I69-L75 WeakPolarHBondContact CD1-O 3.42Å; I69-L75 HydrophobicContact CG2-CB 4.14Å; D71-L75 PolarHBondContact O-N 3.22Å; P72-L75 WeakPolarHBondContact CA-O 3.18Å; L75-L95 HydrophobicContact CD1-CB 4.15Å; L75-L95 HydrophobicContact CD2-CD1 4.23Å; L75-T97 HydrophobicContact CD1-CG2 3.67Å; L75-T103 HydrophobicContact CB-CG2 3.98Å; L75-T103 HydrophobicContact CD2-CG2 4.04Å; L75-V105 HydrophobicContact CD2-CG2 3.81Å; L75-V128 HydrophobicContact CD2-CB 4.35Å; L75-V128 HydrophobicContact CD2-CG1 4.11Å; L75-V128 HydrophobicContact CD2-CG2 4.35Å; L75-V130 HydrophobicContact CD1-CG2 4.35Å |
| 76 | Q | 58.5 | Low | 60 | Low | 96 Ų | 96 | 76.4 Ų | 76.4 | 45% | 0.449 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 138 | 176.6 | -63.5 | -168.3 | 17.6 | 0 | 0 | 111.1 | P72 L95 V96 D98 | P72-Q76 WeakPolarHBondContact O-CG 3.4Å; Q76-L95 WeakPolarHBondContact O-CA 3.4Å; Q76-V96 PolarHBondContact N-O 3.21Å; Q76-V96 PolarHBondContact O-N 2.95Å; Q76-D98 VanDerWaalsContact CD-OD2 3.3Å; Q76-D98 PolarHBondContact NE2-OD2 2.7Å |
| 77 | M | 56.8 | Low | 59.3 | Low | 80 Ų | 80 | 78.7 Ų | 78.7 | 39% | 0.394 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 126.9 | 174.4 | -170.2 | -94.6 | -82.4 | 0 | 0 | 110.2 | I69 V80 I93 L95 | I69-M77 HydrophobicContact CD1-CB 3.97Å; M77-V80 HydrophobicContact CE-CG2 4.08Å; M77-V80 HydrophobicContact SD-CG2 4.04Å; M77-I93 HydrophobicContact CG-CG2 4.19Å; M77-L95 HydrophobicContact CB-CD2 3.97Å; M77-L95 HydrophobicContact CG-CD2 4.02Å |
| 78 | V | 58.2 | Low | 58.6 | Low | 89 Ų | 89 | 79.7 Ų | 79.7 | 54% | 0.539 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -52.2 | -179.3 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | N94 V96 | V78-N94 HydrophobicContact CB-CB 4.42Å; V78-N94 PolarHBondContact N-O 2.89Å; V78-V96 HydrophobicContact CG2-CB 4.11Å; V78-V96 HydrophobicContact CG2-CG2 3.34Å |
| 79 | N | 55.3 | Low | 58.2 | Low | 69 Ų | 69 | 74.4 Ų | 74.4 | 37% | 0.369 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 164.6 | 175.6 | 58 | 17.7 | 0 | 0 | 0 | 111.5 | N94 | N79-N94 PolarHBondContact O-N 3.47Å; N79-N94 VanDerWaalsContact OD1-CB 3.32Å; N79-N94 WeakPolarHBondContact OD1-CB 3.45Å; N79-N94 PolarHBondContact OD1-ND2 3.04Å |
| 80 | V | 59.6 | Low | 58 | Low | 45 Ų | 45 | 75.3 Ų | 75.3 | 27% | 0.273 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 128.3 | 170.2 | -176.7 | 0 | 0 | 0 | 0 | 107.8 | L65 V67 M77 F91 I93 | L65-V80 HydrophobicContact CB-CG1 4.31Å; V67-V80 HydrophobicContact CG2-CG2 4.25Å; M77-V80 HydrophobicContact CE-CG2 4.08Å; M77-V80 HydrophobicContact SD-CG2 4.04Å; V80-F91 HydrophobicContact CG1-CB 4.48Å; V80-F91 HydrophobicContact CG1-CD1 4.29Å; V80-I93 HydrophobicContact CG1-CG1 4.37Å; V80-I93 HydrophobicContact CG2-CG1 4.31Å; V80-I93 HydrophobicContact CG2-CG2 4.39Å |
| 81 | T | 62.8 | Low | 57.8 | Low | 57 Ų | 57 | 70.4 Ų | 70.4 | 35% | 0.35 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 128.5 | 178.7 | 46.3 | 0 | 0 | 0 | 0 | 110.3 | T92 | T81-T92 PolarHBondContact N-O 2.97Å; T81-T92 PolarHBondContact O-N 3.48Å; T81-T92 WeakPolarHBondContact OG1-CB 3.47Å; T81-T92 PolarHBondContact OG1-O 2.93Å |
| 82 | K | 61.1 | Low | 57.5 | Low | 52 Ų | 52 | 68.7 Ų | 68.7 | 23% | 0.226 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 127.5 | 177.7 | 179.9 | 173.1 | 170.1 | 161.9 | 0 | 109.4 | D57 S63 I84 T89 F91 | D57-K82 IonicContact OD1-NZ 3.65Å; D57-K82 IonicContact OD2-NZ 2.77Å; D57-K82 PolarHBondContact OD2-NZ 3.04Å; S63-K82 PolarHBondContact O-NZ 3.3Å; S63-K82 PolarHBondContact OG-NZ 3.37Å; K82-I84 HydrophobicContact CG-CG1 4.47Å; K82-T89 HydrophobicContact CD-CG2 4.01Å; K82-T89 VanDerWaalsContact CE-CG2 3.48Å; K82-T89 HydrophobicContact CG-CG2 3.77Å; K82-F91 HydrophobicContact CB-CD1 4.05Å; K82-F91 HydrophobicContact CB-CE1 3.98Å; K82-F91 HydrophobicContact CD-CE1 3.71Å; K82-F91 HydrophobicContact CD-CZ 3.98Å; K82-F91 HydrophobicContact CG-CD1 4.26Å; K82-F91 HydrophobicContact CG-CE1 3.87Å; K82-F91 HydrophobicContact CG-CZ 4.3Å |
| 83 | K | 59.2 | Low | 57.8 | Low | 146 Ų | 146 | 64.9 Ų | 64.9 | 64% | 0.635 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 119.3 | 169.6 | -76.3 | -175 | 178.7 | 178.6 | 0 | 108.8 | N90 | K83-N90 PolarHBondContact N-O 3.38Å; K83-N90 PolarHBondContact O-N 2.74Å |
| 84 | I | 57.5 | Low | 57.9 | Low | 117 Ų | 117 | 60 Ų | 60 | 60% | 0.6 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 119.7 | 176.4 | -58.1 | 168.6 | 0 | 0 | 0 | 107.2 | K82 | K82-I84 HydrophobicContact CG-CG1 4.47Å |
| 85 | S | 52.3 | Low | 58.5 | Low | 54 Ų | 54 | 59.3 Ų | 59.3 | 38% | 0.378 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 163.1 | 170.4 | 67.4 | 0 | 0 | 0 | 0 | 109.5 | D87 A88 | S85-D87 PolarHBondContact O-N 3.29Å; S85-A88 PolarHBondContact N-O 2.94Å; S85-A88 PolarHBondContact O-N 3.46Å; S85-A88 PolarHBondContact OG-O 3.29Å |
| 86 | S | 44.8 | Very low | 58.7 | Low | 122 Ų | 122 | 60.9 Ų | 60.9 | 85% | 0.853 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -25 | -171.7 | 47.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 87 | D | 47.7 | Very low | 59 | Low | 154 Ų | 154 | 57.3 Ų | 57.3 | 82% | 0.824 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.7 | -7.5 | -175.6 | -61.2 | -39.3 | 0 | 0 | 0 | 114.2 | S85 | S85-D87 PolarHBondContact O-N 3.29Š|
| 88 | A | 56.5 | Low | 59 | Low | 31 Ų | 31 | 57.5 Ų | 57.5 | 26% | 0.256 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 154.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S85 | S85-A88 PolarHBondContact N-O 2.94Å; S85-A88 PolarHBondContact O-N 3.46Å; S85-A88 PolarHBondContact OG-O 3.29Å |
| 89 | T | 58.9 | Low | 58.9 | Low | 12 Ų | 12 | 58.8 Ų | 58.8 | 7% | 0.074 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 114.8 | 171.8 | -58.7 | 0 | 0 | 0 | 0 | 109.9 | S53 K82 F91 | S53-T89 PolarHBondContact N-O 3.46Å; S53-T89 PolarHBondContact O-N 2.92Å; K82-T89 HydrophobicContact CD-CG2 4.01Å; K82-T89 VanDerWaalsContact CE-CG2 3.48Å; K82-T89 HydrophobicContact CG-CG2 3.77Å; T89-F91 HydrophobicContact CG2-CD2 4.26Å; T89-F91 HydrophobicContact CG2-CE2 3.65Å; T89-F91 HydrophobicContact CG2-CZ 3.85Å |
| 90 | N | 64.5 | Low | 59.2 | Low | 48 Ų | 48 | 58.6 Ų | 58.6 | 26% | 0.257 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 119.7 | 179.1 | -70.6 | -24.4 | 0 | 0 | 0 | 110.9 | S52 K83 | S52-N90 VanDerWaalsContact CB-OD1 3.26Å; S52-N90 WeakPolarHBondContact CB-OD1 3.33Å; K83-N90 PolarHBondContact N-O 3.38Å; K83-N90 PolarHBondContact O-N 2.74Å |
| 91 | F | 64.8 | Low | 59.4 | Low | 3 Ų | 3 | 57.5 Ų | 57.5 | 1% | 0.013 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 124.6 | 171.1 | -64.8 | -87.3 | 0 | 0 | 0 | 109.6 | V51 L65 V80 K82 T89 L109 | V51-F91 HydrophobicContact CB-CB 4.48Å; V51-F91 PolarHBondContact N-O 3.31Å; V51-F91 PolarHBondContact O-N 3.02Å; L65-F91 HydrophobicContact CB-CB 4.48Å; L65-F91 HydrophobicContact CB-CD1 3.82Å; L65-F91 HydrophobicContact CB-CE1 4.14Å; L65-F91 HydrophobicContact CB-CG 4.06Å; L65-F91 HydrophobicContact CD1-CB 3.73Å; L65-F91 HydrophobicContact CD1-CD1 4.45Å; L65-F91 HydrophobicContact CD1-CD2 4.04Å; L65-F91 HydrophobicContact CD1-CG 3.83Å; V80-F91 HydrophobicContact CG1-CB 4.48Å; V80-F91 HydrophobicContact CG1-CD1 4.29Å; K82-F91 HydrophobicContact CB-CD1 4.05Å; K82-F91 HydrophobicContact CB-CE1 3.98Å; K82-F91 HydrophobicContact CD-CE1 3.71Å; K82-F91 HydrophobicContact CD-CZ 3.98Å; K82-F91 HydrophobicContact CG-CD1 4.26Å; K82-F91 HydrophobicContact CG-CE1 3.87Å; K82-F91 HydrophobicContact CG-CZ 4.3Å; T89-F91 HydrophobicContact CG2-CD2 4.26Å; T89-F91 HydrophobicContact CG2-CE2 3.65Å; T89-F91 HydrophobicContact CG2-CZ 3.85Å; F91-L109 HydrophobicContact CE2-CD1 4.08Å; F91-L109 HydrophobicContact CZ-CD1 4.18Å |
| 92 | T | 60.6 | Low | 59.8 | Low | 25 Ų | 25 | 60.8 Ų | 60.8 | 15% | 0.153 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 109.4 | 178.8 | -58 | 0 | 0 | 0 | 0 | 108.4 | T48 I49 T81 | T48-T92 HydrophobicContact CG2-CG2 3.12Å; I49-T92 CarbonylContact O-C 3.44Å; I49-T92 WeakPolarHBondContact O-CA 3.29Å; T81-T92 PolarHBondContact N-O 2.97Å; T81-T92 PolarHBondContact O-N 3.48Å; T81-T92 WeakPolarHBondContact OG1-CB 3.47Å; T81-T92 PolarHBondContact OG1-O 2.93Å |
| 93 | I | 66.3 | Low | 60.3 | Low | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 116.6 | -180 | -53.2 | 164.3 | 0 | 0 | 0 | 107.6 | T48 I49 V51 L65 V67 M77 V80 L95 I107 | T48-I93 CarbonylContact C-O 3.6Å; T48-I93 WeakPolarHBondContact CA-O 3.15Å; I49-I93 HydrophobicContact CB-CB 4.34Å; I49-I93 PolarHBondContact N-O 3.46Å; I49-I93 PolarHBondContact O-N 3.03Å; V51-I93 HydrophobicContact CG2-CD1 3.7Å; L65-I93 HydrophobicContact CD2-CD1 3.87Å; L65-I93 HydrophobicContact CD2-CG1 4.26Å; V67-I93 HydrophobicContact CG2-CD1 3.73Å; V67-I93 HydrophobicContact CG2-CG1 4.15Å; V67-I93 HydrophobicContact CG2-CG2 4.15Å; M77-I93 HydrophobicContact CG-CG2 4.19Å; V80-I93 HydrophobicContact CG1-CG1 4.37Å; V80-I93 HydrophobicContact CG2-CG1 4.31Å; V80-I93 HydrophobicContact CG2-CG2 4.39Å; I93-L95 HydrophobicContact CG2-CD1 4.4Å; I93-L95 HydrophobicContact CG2-CD2 3.69Å; I93-L95 HydrophobicContact CG2-CG 3.94Å; I93-I107 HydrophobicContact CD1-CD1 4.27Å |
| 94 | N | 58.1 | Low | 61 | Low | 42 Ų | 42 | 53.8 Ų | 53.8 | 23% | 0.225 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 128 | 174.6 | -64.4 | -50.2 | 0 | 0 | 0 | 110.3 | T48 V78 N79 | T48-N94 VanDerWaalsContact CG2-OD1 3.27Å; T48-N94 WeakPolarHBondContact CG2-OD1 3.45Å; T48-N94 PolarHBondContact OG1-OD1 3.41Å; V78-N94 HydrophobicContact CB-CB 4.42Å; V78-N94 PolarHBondContact N-O 2.89Å; N79-N94 PolarHBondContact O-N 3.47Å; N79-N94 VanDerWaalsContact OD1-CB 3.32Å; N79-N94 WeakPolarHBondContact OD1-CB 3.45Å; N79-N94 PolarHBondContact OD1-ND2 3.04Å |
| 95 | L | 69.1 | Low | 61.6 | Low | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 145.4 | -173.7 | -58.7 | 171.6 | 0 | 0 | 0 | 110.4 | F42 E47 I49 I69 L75 Q76 M77 I93 | F42-L95 HydrophobicContact CE2-CB 4.47Å; F42-L95 HydrophobicContact CE2-CD1 3.61Å; F42-L95 HydrophobicContact CZ-CD1 3.83Å; E47-L95 PolarHBondContact N-O 2.97Å; E47-L95 PolarHBondContact O-N 2.97Å; E47-L95 VanDerWaalsContact O-O 3.13Å; I49-L95 HydrophobicContact CD1-CD1 3.4Å; I49-L95 VanDerWaalsContact CD1-CD1 3.4Å; I49-L95 HydrophobicContact CG1-CD1 3.77Å; I69-L95 HydrophobicContact CD1-CD2 4.28Å; L75-L95 HydrophobicContact CD1-CB 4.15Å; L75-L95 HydrophobicContact CD2-CD1 4.23Å; Q76-L95 WeakPolarHBondContact O-CA 3.4Å; M77-L95 HydrophobicContact CB-CD2 3.97Å; M77-L95 HydrophobicContact CG-CD2 4.02Å; I93-L95 HydrophobicContact CG2-CD1 4.4Å; I93-L95 HydrophobicContact CG2-CD2 3.69Å; I93-L95 HydrophobicContact CG2-CG 3.94Å |
| 96 | V | 60.5 | Low | 62.6 | Low | 33 Ų | 33 | 46.8 Ų | 46.8 | 20% | 0.2 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 137.2 | 172.6 | 168.9 | 0 | 0 | 0 | 0 | 108.6 | T45 K46 Q76 V78 | T45-V96 WeakPolarHBondContact O-CA 3.34Å; K46-V96 HydrophobicContact CG-CG2 4.01Å; Q76-V96 PolarHBondContact N-O 3.21Å; Q76-V96 PolarHBondContact O-N 2.95Å; V78-V96 HydrophobicContact CG2-CB 4.11Å; V78-V96 HydrophobicContact CG2-CG2 3.34Å |
| 97 | T | 64 | Low | 63.9 | Low | 21 Ų | 21 | 41 Ų | 41 | 13% | 0.129 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 126.6 | 178.4 | 53.8 | 0 | 0 | 0 | 0 | 109.7 | F42 K44 T45 L75 V130 | F42-T97 HydrophobicContact CB-CG2 4.14Å; F42-T97 HydrophobicContact CD2-CG2 4.04Å; K44-T97 PolarHBondContact O-OG1 3.34Å; T45-T97 WeakPolarHBondContact CA-OG1 3.48Å; T45-T97 PolarHBondContact O-N 2.89Å; L75-T97 HydrophobicContact CD1-CG2 3.67Å; T97-V130 HydrophobicContact CG2-CB 4.47Å; T97-V130 HydrophobicContact CG2-CG1 3.75Å; T97-V130 HydrophobicContact CG2-CG2 3.84Å |
| 98 | D | 56.9 | Low | 65.1 | Low | 83 Ų | 83 | 35 Ų | 35 | 44% | 0.444 | 20% | 0.2 | S | C | . | . | trans | -107.1 | -47.5 | -178.9 | -81.5 | -24.9 | 0 | 0 | 0 | 111.6 | K73 I74 Q76 | K73-D98 WeakPolarHBondContact O-CB 3.48Å; I74-D98 PolarHBondContact O-N 3.49Å; Q76-D98 VanDerWaalsContact CD-OD2 3.3Å; Q76-D98 PolarHBondContact NE2-OD2 2.7Å | ||
| 99 | E | 56.7 | Low | 65.7 | Low | 117 Ų | 117 | 33.6 Ų | 33.6 | 55% | 0.547 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -124.4 | 156.4 | -178.6 | -66 | -171.5 | 175.9 | 0 | 0 | 112.8 | ||
| 100 | A | 62.3 | Low | 66.2 | Low | 64 Ų | 64 | 35.8 Ų | 35.8 | 53% | 0.529 | 20% | 0.195 | S | C | . | . | trans | -83.3 | 124.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | K132 | A100-K132 HydrophobicContact CB-CB 4.02Å; A100-K132 HydrophobicContact CB-CD 4.41Å | ||
| 101 | G | 63.4 | Low | 66.5 | Low | 22 Ų | 22 | 33.7 Ų | 33.7 | 23% | 0.227 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.3 | 179.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V130 | G101-V130 PolarHBondContact O-N 3.1Å |
| 102 | E | 70.8 | Confident | 66.5 | Low | 127 Ų | 127 | 35.4 Ų | 35.4 | 59% | 0.593 | 20% | 0.196 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 128.1 | 172.9 | -68.5 | 179.3 | -172.6 | 0 | 0 | 108 | V128 K129 | E102-V128 WeakPolarHBondContact CA-O 3.36Å; E102-K129 HydrophobicContact CG-CB 4.27Å; E102-K129 HydrophobicContact CG-CD 4.08Å; E102-K129 HydrophobicContact CG-CG 3.9Å; E102-K129 WeakPolarHBondContact OE1-CD 3.22Å; E102-K129 WeakPolarHBondContact OE1-CE 3.3Å; E102-K129 IonicContact OE1-NZ 3.87Å; E102-K129 PolarHBondContact OE1-NZ 2.99Å |
| 103 | T | 71.8 | Confident | 66.4 | Low | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.043 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 149.2 | 176.1 | -166.9 | 0 | 0 | 0 | 0 | 109.9 | I69 D71 I74 L75 V128 | I69-T103 HydrophobicContact CG2-CG2 4.43Å; D71-T103 PolarHBondContact N-OG1 3.11Å; I74-T103 HydrophobicContact CG2-CG2 4.19Å; L75-T103 HydrophobicContact CB-CG2 3.98Å; L75-T103 HydrophobicContact CD2-CG2 4.04Å; T103-V128 HydrophobicContact CG2-CB 4.26Å; T103-V128 PolarHBondContact N-O 2.85Å; T103-V128 PolarHBondContact O-N 2.94Å |
| 104 | N | 72.8 | Confident | 66.2 | Low | 43 Ų | 43 | 41.4 Ų | 41.4 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 139.8 | 172.9 | -53.1 | -55 | 0 | 0 | 0 | 109.6 | E70 V126 K127 | E70-N104 HydrophobicContact CG-CB 4.35Å; E70-N104 PolarHBondContact N-O 2.9Å; E70-N104 WeakPolarHBondContact OE2-CB 3.42Å; E70-N104 PolarHBondContact OE2-ND2 3.15Å; N104-V126 WeakPolarHBondContact CA-O 3.27Å; N104-K127 WeakPolarHBondContact OD1-CG 3.41Å |
| 105 | V | 70.9 | Confident | 65.8 | Low | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 131.6 | 172.9 | -177.3 | 0 | 0 | 0 | 0 | 108.1 | V67 I69 L75 I107 V126 V128 | V67-V105 HydrophobicContact CG1-CG1 3.42Å; V67-V105 VanDerWaalsContact CG1-CG1 3.42Å; I69-V105 HydrophobicContact CG1-CG2 4.47Å; L75-V105 HydrophobicContact CD2-CG2 3.81Å; V105-I107 HydrophobicContact CG1-CG1 4.09Å; V105-V126 HydrophobicContact CB-CB 4.4Å; V105-V126 PolarHBondContact N-O 2.79Å; V105-V126 WeakPolarHBondContact O-CB 3.28Å; V105-V126 PolarHBondContact O-N 3.04Å; V105-V128 HydrophobicContact CB-CG2 4.34Å; V105-V128 HydrophobicContact CG2-CB 4.39Å; V105-V128 HydrophobicContact CG2-CG2 3.55Å |
| 106 | I | 72.9 | Confident | 64.9 | Low | 23 Ų | 23 | 59.2 Ų | 59.2 | 12% | 0.118 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 124 | 173.8 | -58.1 | 170.8 | 0 | 0 | 0 | 107 | K68 Q108 E122 | K68-I106 HydrophobicContact CB-CB 4.32Å; K68-I106 PolarHBondContact N-O 2.85Å; K68-I106 PolarHBondContact O-N 3.5Å; I106-Q108 HydrophobicContact CG2-CG 4.21Å; I106-E122 HydrophobicContact CG2-CG 4.03Å; I106-E122 WeakPolarHBondContact CG2-OE1 3.31Å |
| 107 | I | 71.7 | Confident | 65.2 | Low | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 122.8 | -179.5 | -64.6 | 170.3 | 0 | 0 | 0 | 108.1 | L32 I34 V51 L65 I93 V105 E122 I123 V126 | L32-I107 HydrophobicContact CD1-CG2 4.45Å; I34-I107 HydrophobicContact CD1-CD1 3.94Å; V51-I107 HydrophobicContact CG2-CD1 4.29Å; L65-I107 HydrophobicContact CD1-CG2 3.92Å; L65-I107 HydrophobicContact CD2-CG2 3.72Å; L65-I107 HydrophobicContact CG-CG2 3.9Å; I93-I107 HydrophobicContact CD1-CD1 4.27Å; V105-I107 HydrophobicContact CG1-CG1 4.09Å; I107-E122 WeakPolarHBondContact O-CA 3.36Å; I107-I123 HydrophobicContact CB-CB 4.49Å; I107-I123 PolarHBondContact N-O 3.49Å; I107-I123 PolarHBondContact O-N 3.25Å; I107-V126 HydrophobicContact CD1-CG2 4.41Å |
| 108 | Q | 72.7 | Confident | 65.4 | Low | 30 Ų | 30 | 70.7 Ų | 70.7 | 14% | 0.14 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 129.1 | -179.3 | -69.4 | 177.8 | -15.1 | 0 | 0 | 110.1 | L65 F66 I106 L119 E121 E122 | L65-Q108 WeakPolarHBondContact CA-O 3.15Å; F66-Q108 HydrophobicContact CB-CB 4.35Å; F66-Q108 PolarHBondContact N-O 3.48Å; F66-Q108 PolarHBondContact O-N 2.98Å; I106-Q108 HydrophobicContact CG2-CG 4.21Å; Q108-L119 HydrophobicContact CB-CD1 3.71Å; Q108-L119 HydrophobicContact CG-CD1 3.96Å; Q108-E121 WeakPolarHBondContact CA-O 3.44Å; Q108-E122 HydrophobicContact CG-CB 4.13Å; Q108-E122 HydrophobicContact CG-CG 3.77Å; Q108-E122 PolarHBondContact NE2-OE1 2.92Å |
| 109 | L | 69.2 | Low | 65.9 | Low | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 122.4 | 172.1 | -178.4 | 67.1 | 0 | 0 | 0 | 109.3 | L32 Y55 F91 I120 E121 | L32-L109 HydrophobicContact CD1-CB 3.99Å; L32-L109 HydrophobicContact CD2-CB 4.28Å; L32-L109 HydrophobicContact CD2-CD2 4.17Å; L32-L109 HydrophobicContact CG-CB 4.36Å; L32-L109 HydrophobicContact CG-CD2 4.35Å; Y55-L109 HydrophobicContact CG-CD2 4.48Å; F91-L109 HydrophobicContact CE2-CD1 4.08Å; F91-L109 HydrophobicContact CZ-CD1 4.18Å; L109-I120 HydrophobicContact CD2-CB 4.28Å; L109-I120 HydrophobicContact CD2-CD1 3.94Å; L109-I120 HydrophobicContact CD2-CG2 4.4Å; L109-I120 HydrophobicContact CG-CB 4.33Å; L109-I120 HydrophobicContact CG-CD1 3.88Å; L109-I120 PolarHBondContact O-N 2.97Å; L109-E121 PolarHBondContact N-O 3.31Å |
| 110 | W | 69.8 | Low | 66.3 | Low | 59 Ų | 59 | 66.5 Ų | 66.5 | 22% | 0.223 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 140.7 | -179.3 | -68.9 | 84.8 | 0 | 0 | 0 | 110.2 | S63 H64 E117 R118 L119 | S63-W110 VanDerWaalsContact CA-O 3.29Å; S63-W110 WeakPolarHBondContact CA-O 3.43Å; H64-W110 PolarHBondContact N-O 2.72Å; H64-W110 PolarHBondContact O-N 3.09Å; W110-E117 HydrophobicContact CE3-CB 3.87Å; W110-E117 HydrophobicContact CZ3-CB 4.13Å; W110-R118 WeakPolarHBondContact CA-O 3.41Å; W110-L119 HydrophobicContact CD2-CB 4.23Å; W110-L119 HydrophobicContact CD2-CD1 4.06Å; W110-L119 HydrophobicContact CE3-CB 4.05Å; W110-L119 HydrophobicContact CG-CD1 4.39Å; W110-L119 HydrophobicContact CH2-CB 3.93Å; W110-L119 HydrophobicContact CZ2-CB 4.09Å; W110-L119 HydrophobicContact CZ2-CD1 3.85Å; W110-L119 HydrophobicContact CZ2-CG 4.43Å; W110-L119 HydrophobicContact CZ3-CB 3.91Å |
| 111 | D | 72.1 | Confident | 66.5 | Low | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.016 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 139 | 169.3 | -165 | 16.6 | 0 | 0 | 0 | 110.2 | Y55 S62 R118 I120 | Y55-D111 PolarHBondContact OH-OD2 2.87Å; S62-D111 VanDerWaalsContact C-OD1 3.25Å; S62-D111 WeakPolarHBondContact CB-OD1 3.32Å; S62-D111 PolarHBondContact OG-OD1 3.44Å; D111-R118 PolarHBondContact N-O 3.16Å; D111-R118 PolarHBondContact O-N 2.71Å; D111-I120 HydrophobicContact CB-CD1 3.55Å; D111-I120 HydrophobicContact CB-CG1 3.99Å |
| 112 | S | 63.8 | Low | 66.5 | Low | 40 Ų | 40 | 67 Ų | 67 | 28% | 0.28 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 97.7 | -179.9 | 52.9 | 0 | 0 | 0 | 0 | 110.2 | S62 G114 | S62-S112 PolarHBondContact O-N 2.9Å; S62-S112 VanDerWaalsContact O-N 3.12Å; S62-S112 PolarHBondContact O-OG 3.21Å; S112-G114 PolarHBondContact O-N 3.35Å |
| 113 | E | 58.4 | Low | 66.3 | Low | 85 Ų | 85 | 62.7 Ų | 62.7 | 40% | 0.397 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 84.5 | 171 | -75.6 | -177.9 | 171 | 0 | 0 | 108.5 | K58 R115 Q116 | K58-E113 WeakPolarHBondContact CD-OE1 3.47Å; K58-E113 IonicContact NZ-OE1 2.7Å; K58-E113 PolarHBondContact NZ-OE1 2.86Å; E113-R115 PolarHBondContact O-N 3.35Å; E113-Q116 PolarHBondContact N-O 3.19Å; E113-Q116 PolarHBondContact O-N 3.36Å |
| 114 | G | 61.6 | Low | 65.7 | Low | 66 Ų | 66 | 68.3 Ų | 68.3 | 68% | 0.68 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | -116.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | S112 | S112-G114 PolarHBondContact O-N 3.35Š|
| 115 | R | 50.8 | Low | 64.9 | Low | 260 Ų | 260 | 71.6 Ų | 71.6 | 98% | 0.981 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 0 | 176.8 | -78 | -172.3 | -176.5 | 176.8 | 1.9 | 113.6 | E113 | E113-R115 PolarHBondContact O-N 3.35Š|
| 116 | Q | 50.1 | Low | 64.6 | Low | 159 Ų | 159 | 72.2 Ų | 72.2 | 74% | 0.743 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 126.1 | -178.6 | -72.5 | -173.1 | -26 | 0 | 0 | 110 | E113 | E113-Q116 PolarHBondContact N-O 3.19Å; E113-Q116 PolarHBondContact O-N 3.36Å |
| 117 | E | 66.2 | Low | 64.1 | Low | 134 Ų | 134 | 76.5 Ų | 76.5 | 63% | 0.626 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 126.7 | 174.2 | -65.6 | 177.3 | 175.6 | 0 | 0 | 108.8 | W110 | W110-E117 HydrophobicContact CE3-CB 3.87Å; W110-E117 HydrophobicContact CZ3-CB 4.13Å |
| 118 | R | 69.4 | Low | 63.7 | Low | 162 Ų | 162 | 76.5 Ų | 76.5 | 61% | 0.611 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 122.8 | 179.7 | -173.5 | 175.9 | 177.5 | 173.9 | -0.5 | 110 | W110 D111 I120 | W110-R118 WeakPolarHBondContact CA-O 3.41Å; D111-R118 PolarHBondContact N-O 3.16Å; D111-R118 PolarHBondContact O-N 2.71Å; R118-I120 PolarHBondContact O-N 2.85Å |
| 119 | L | 66.5 | Low | 63.3 | Low | 67 Ų | 67 | 78.4 Ų | 78.4 | 35% | 0.351 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 119.8 | 170.4 | -177.5 | 71 | 0 | 0 | 0 | 108.9 | Q108 W110 E122 | Q108-L119 HydrophobicContact CB-CD1 3.71Å; Q108-L119 HydrophobicContact CG-CD1 3.96Å; W110-L119 HydrophobicContact CD2-CB 4.23Å; W110-L119 HydrophobicContact CD2-CD1 4.06Å; W110-L119 HydrophobicContact CE3-CB 4.05Å; W110-L119 HydrophobicContact CG-CD1 4.39Å; W110-L119 HydrophobicContact CH2-CB 3.93Å; W110-L119 HydrophobicContact CZ2-CB 4.09Å; W110-L119 HydrophobicContact CZ2-CD1 3.85Å; W110-L119 HydrophobicContact CZ2-CG 4.43Å; W110-L119 HydrophobicContact CZ3-CB 3.91Å; L119-E122 HydrophobicContact CD2-CB 4.32Å |
| 120 | I | 65.3 | Low | 62.9 | Low | 45 Ų | 45 | 79 Ų | 79 | 23% | 0.231 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | -50 | 178.9 | -54.2 | 169.3 | 0 | 0 | 0 | 109.3 | F31 Y55 L109 D111 R118 | F31-I120 HydrophobicContact CD2-CG2 4.23Å; Y55-I120 HydrophobicContact CD1-CD1 3.87Å; Y55-I120 HydrophobicContact CD2-CD1 4.11Å; Y55-I120 HydrophobicContact CD2-CG2 4.08Å; Y55-I120 HydrophobicContact CE1-CD1 3.6Å; Y55-I120 HydrophobicContact CE2-CD1 3.86Å; Y55-I120 HydrophobicContact CE2-CG2 4.02Å; Y55-I120 HydrophobicContact CG-CD1 4.12Å; L109-I120 HydrophobicContact CD2-CB 4.28Å; L109-I120 HydrophobicContact CD2-CD1 3.94Å; L109-I120 HydrophobicContact CD2-CG2 4.4Å; L109-I120 HydrophobicContact CG-CB 4.33Å; L109-I120 HydrophobicContact CG-CD1 3.88Å; L109-I120 PolarHBondContact O-N 2.97Å; D111-I120 HydrophobicContact CB-CD1 3.55Å; D111-I120 HydrophobicContact CB-CG1 3.99Å; R118-I120 PolarHBondContact O-N 2.85Å |
| 121 | E | 65.7 | Low | 62.2 | Low | 33 Ų | 33 | 79.7 Ų | 79.7 | 15% | 0.154 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 144.1 | -174.2 | -168.4 | 173 | -175.1 | 0 | 0 | 111.2 | S30 F31 L32 Q108 L109 | S30-E121 WeakPolarHBondContact CA-OE1 3.24Å; S30-E121 WeakPolarHBondContact CB-OE1 3.44Å; F31-E121 VanDerWaalsContact CA-OE2 3.26Å; F31-E121 WeakPolarHBondContact CA-OE2 3.45Å; F31-E121 VanDerWaalsContact CB-OE2 3.29Å; F31-E121 WeakPolarHBondContact CB-OE2 3.42Å; F31-E121 PolarHBondContact N-OE2 2.9Å; L32-E121 HydrophobicContact CD1-CB 4.12Å; L32-E121 HydrophobicContact CD1-CG 4.16Å; L32-E121 PolarHBondContact N-OE2 3.44Å; Q108-E121 WeakPolarHBondContact CA-O 3.44Å; L109-E121 PolarHBondContact N-O 3.31Å |
| 122 | E | 63.9 | Low | 61.1 | Low | 62 Ų | 62 | 86 Ų | 86 | 29% | 0.29 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 117.8 | 177.8 | 178.1 | 175.8 | -156.5 | 0 | 0 | 109.7 | I106 I107 Q108 L119 K124 | I106-E122 HydrophobicContact CG2-CG 4.03Å; I106-E122 WeakPolarHBondContact CG2-OE1 3.31Å; I107-E122 WeakPolarHBondContact O-CA 3.36Å; Q108-E122 HydrophobicContact CG-CB 4.13Å; Q108-E122 HydrophobicContact CG-CG 3.77Å; Q108-E122 PolarHBondContact NE2-OE1 2.92Å; L119-E122 HydrophobicContact CD2-CB 4.32Å; E122-K124 HydrophobicContact CG-CG 3.91Å; E122-K124 WeakPolarHBondContact OE1-CE 3.26Å; E122-K124 IonicContact OE1-NZ 3.98Å; E122-K124 WeakPolarHBondContact OE2-CE 3.49Å; E122-K124 IonicContact OE2-NZ 3.15Å; E122-K124 PolarHBondContact OE2-NZ 3.26Å; E122-K124 VanDerWaalsContact OE2-NZ 3.15Å |
| 123 | I | 66.2 | Low | 60 | Low | 38 Ų | 38 | 91.4 Ų | 91.4 | 20% | 0.195 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 112.4 | 169.3 | -55.6 | 178.2 | 0 | 0 | 0 | 107.7 | L32 I34 I107 V126 | L32-I123 HydrophobicContact CB-CD1 3.64Å; L32-I123 HydrophobicContact CB-CG1 4.38Å; L32-I123 HydrophobicContact CD1-CD1 3.92Å; L32-I123 HydrophobicContact CD1-CG1 3.99Å; L32-I123 HydrophobicContact CG-CD1 4.45Å; I34-I123 HydrophobicContact CD1-CD1 3.91Å; I34-I123 HydrophobicContact CG1-CD1 4.25Å; I107-I123 HydrophobicContact CB-CB 4.49Å; I107-I123 PolarHBondContact N-O 3.49Å; I107-I123 PolarHBondContact O-N 3.25Å; I123-V126 HydrophobicContact CG2-CG2 3.58Å |
| 124 | K | 58.8 | Low | 59 | Low | 125 Ų | 125 | 95.5 Ų | 95.5 | 54% | 0.543 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 152.2 | 173.4 | -62.4 | -176.8 | -179.3 | 172.1 | 0 | 110.1 | E122 | E122-K124 HydrophobicContact CG-CG 3.91Å; E122-K124 WeakPolarHBondContact OE1-CE 3.26Å; E122-K124 IonicContact OE1-NZ 3.98Å; E122-K124 WeakPolarHBondContact OE2-CE 3.49Å; E122-K124 IonicContact OE2-NZ 3.15Å; E122-K124 PolarHBondContact OE2-NZ 3.26Å; E122-K124 VanDerWaalsContact OE2-NZ 3.15Å |
| 125 | N | 56.9 | Low | 57.8 | Low | 111 Ų | 111 | 96 Ų | 96 | 59% | 0.594 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 67.6 | 34.8 | 169.3 | -48.9 | -34.1 | 0 | 0 | 0 | 115.7 | K127 | N125-K127 PolarHBondContact O-N 3.2Å |
| 126 | V | 64.7 | Low | 56.9 | Low | 15 Ų | 15 | 86.7 Ų | 86.7 | 9% | 0.091 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 102.1 | 166.9 | -175.5 | 0 | 0 | 0 | 0 | 107.8 | I34 L40 N104 V105 I107 I123 V128 | I34-V126 HydrophobicContact CD1-CG2 4.02Å; L40-V126 HydrophobicContact CD1-CG1 3.87Å; L40-V126 HydrophobicContact CG-CG1 4.38Å; N104-V126 WeakPolarHBondContact CA-O 3.27Å; V105-V126 HydrophobicContact CB-CB 4.4Å; V105-V126 PolarHBondContact N-O 2.79Å; V105-V126 WeakPolarHBondContact O-CB 3.28Å; V105-V126 PolarHBondContact O-N 3.04Å; I107-V126 HydrophobicContact CD1-CG2 4.41Å; I123-V126 HydrophobicContact CG2-CG2 3.58Å; V126-V128 PolarHBondContact O-N 3.3Å |
| 127 | K | 63.3 | Low | 56.2 | Low | 112 Ų | 112 | 82.6 Ų | 82.6 | 49% | 0.487 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 120.2 | 179.3 | -75.5 | 179.9 | -165.6 | 174.6 | 0 | 109.5 | I39 L40 N104 N125 | I39-K127 CarbonylContact C-O 3.54Å; I39-K127 WeakPolarHBondContact CA-O 3.43Å; I39-K127 HydrophobicContact CG1-CB 4.28Å; L40-K127 PolarHBondContact N-O 3.14Å; N104-K127 WeakPolarHBondContact OD1-CG 3.41Å; N125-K127 PolarHBondContact O-N 3.2Å |
| 128 | V | 63.2 | Low | 54.8 | Low | 1 Ų | 1 | 78.5 Ų | 78.5 | 1% | 0.006 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 120 | 171.3 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | L40 F42 L75 E102 T103 V105 V126 V130 | L40-V128 HydrophobicContact CB-CG2 4.29Å; L40-V128 HydrophobicContact CD1-CG2 4.38Å; L40-V128 WeakPolarHBondContact O-CA 3.3Å; F42-V128 HydrophobicContact CD2-CG1 3.45Å; F42-V128 VanDerWaalsContact CD2-CG1 3.45Å; F42-V128 HydrophobicContact CE2-CG1 3.43Å; F42-V128 VanDerWaalsContact CE2-CG1 3.43Å; F42-V128 HydrophobicContact CE2-CG2 4.48Å; F42-V128 HydrophobicContact CG-CG1 4.05Å; F42-V128 HydrophobicContact CZ-CG1 4.01Å; L75-V128 HydrophobicContact CD2-CB 4.35Å; L75-V128 HydrophobicContact CD2-CG1 4.11Å; L75-V128 HydrophobicContact CD2-CG2 4.35Å; E102-V128 WeakPolarHBondContact CA-O 3.36Å; T103-V128 HydrophobicContact CG2-CB 4.26Å; T103-V128 PolarHBondContact N-O 2.85Å; T103-V128 PolarHBondContact O-N 2.94Å; V105-V128 HydrophobicContact CB-CG2 4.34Å; V105-V128 HydrophobicContact CG2-CB 4.39Å; V105-V128 HydrophobicContact CG2-CG2 3.55Å; V126-V128 PolarHBondContact O-N 3.3Å; V128-V130 HydrophobicContact CG1-CG2 4.19Å |
| 129 | K | 63.5 | Low | 53.1 | Low | 70 Ų | 70 | 77 Ų | 77 | 30% | 0.304 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 106.8 | 173.1 | -172.1 | 162.1 | -175.1 | 152.9 | 0 | 108.9 | I39 L40 F41 F42 E102 L131 | I39-K129 HydrophobicContact CG2-CB 4.26Å; L40-K129 PolarHBondContact O-N 2.77Å; F41-K129 WeakPolarHBondContact CA-O 3.44Å; F41-K129 HydrophobicContact CD1-CB 4.15Å; F41-K129 HydrophobicContact CD1-CD 4.48Å; F41-K129 HydrophobicContact CD1-CG 4.47Å; F41-K129 HydrophobicContact CE1-CB 4.3Å; F41-K129 HydrophobicContact CE1-CD 4.04Å; F41-K129 HydrophobicContact CE1-CG 4.5Å; F42-K129 PolarHBondContact N-O 3.33Å; E102-K129 HydrophobicContact CG-CB 4.27Å; E102-K129 HydrophobicContact CG-CD 4.08Å; E102-K129 HydrophobicContact CG-CG 3.9Å; E102-K129 WeakPolarHBondContact OE1-CD 3.22Å; E102-K129 WeakPolarHBondContact OE1-CE 3.3Å; E102-K129 IonicContact OE1-NZ 3.87Å; E102-K129 PolarHBondContact OE1-NZ 2.99Å; K129-L131 HydrophobicContact CD-CD2 4.33Å; K129-L131 HydrophobicContact CG-CD2 4.17Å; K129-L131 HydrophobicContact CG-CG 4.24Å; K129-L131 PolarHBondContact O-N 3.44Å; K129-L131 VanDerWaalsContact O-N 3.17Å |
| 130 | V | 61.8 | Low | 51.7 | Low | 12 Ų | 12 | 76.2 Ų | 76.2 | 7% | 0.073 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 96.8 | 174.2 | -177.3 | 0 | 0 | 0 | 0 | 107.6 | F42 I74 L75 T97 G101 V128 K132 | F42-V130 HydrophobicContact CB-CG2 4.47Å; F42-V130 HydrophobicContact CD2-CG2 4.48Å; I74-V130 HydrophobicContact CG2-CB 4.41Å; I74-V130 HydrophobicContact CG2-CG2 3.96Å; L75-V130 HydrophobicContact CD1-CG2 4.35Å; T97-V130 HydrophobicContact CG2-CB 4.47Å; T97-V130 HydrophobicContact CG2-CG1 3.75Å; T97-V130 HydrophobicContact CG2-CG2 3.84Å; G101-V130 PolarHBondContact O-N 3.1Å; V128-V130 HydrophobicContact CG1-CG2 4.19Å; V130-K132 PolarHBondContact O-N 3.5Å |
| 131 | L | 53.2 | Low | 50.4 | Low | 74 Ų | 74 | 76.1 Ų | 76.1 | 39% | 0.387 | 38% | 0.38 | S | S | . | . | trans | -82.5 | 100.8 | 170.7 | -68.3 | 174.6 | 0 | 0 | 0 | 107 | F41 F42 K129 Q133 | F41-L131 HydrophobicContact CD1-CD1 3.59Å; F41-L131 HydrophobicContact CD1-CG 4.18Å; F41-L131 HydrophobicContact CE1-CD1 4.23Å; F41-L131 HydrophobicContact CG-CD1 4.47Å; F42-L131 CarbonylContact O-C 3.59Å; F42-L131 PolarHBondContact O-N 3.37Å; F42-L131 VanDerWaalsContact O-O 3.05Å; K129-L131 HydrophobicContact CD-CD2 4.33Å; K129-L131 HydrophobicContact CG-CD2 4.17Å; K129-L131 HydrophobicContact CG-CG 4.24Å; K129-L131 PolarHBondContact O-N 3.44Å; K129-L131 VanDerWaalsContact O-N 3.17Å; L131-Q133 PolarHBondContact O-N 3.45Å | ||
| 132 | K | 50.9 | Low | 49.3 | Very low | 136 Ų | 136 | 78 Ų | 78 | 59% | 0.591 | 39% | 0.39 | S | S | * | . | trans | -53.6 | 122.1 | 161.2 | -135.1 | 174.3 | -176.5 | 170.4 | 0 | 106.4 | A100 V130 K134 | A100-K132 HydrophobicContact CB-CB 4.02Å; A100-K132 HydrophobicContact CB-CD 4.41Å; V130-K132 PolarHBondContact O-N 3.5Å; K132-K134 PolarHBondContact O-N 3.45Å; K132-K134 VanDerWaalsContact O-N 3.14Å | ||
| 133 | Q | 39.7 | Very low | 48.3 | Very low | 152 Ų | 152 | 80.2 Ų | 80.2 | 71% | 0.71 | 41% | 0.41 | S | S | * | . | trans | -42.8 | 129.4 | 167.4 | -175.1 | 169.2 | 5.1 | 0 | 0 | 106.4 | L131 D135 | L131-Q133 PolarHBondContact O-N 3.45Å; Q133-D135 PolarHBondContact O-N 3.17Å | ||
| 134 | K | 36.8 | Very low | 47.8 | Very low | 171 Ų | 171 | 82.2 Ų | 82.2 | 74% | 0.743 | 42% | 0.42 | S | S | * | . | trans | -57.5 | 79 | -171.3 | -112.8 | -168.9 | 170.8 | 170.7 | 0 | 110.5 | K132 S136 | K132-K134 PolarHBondContact O-N 3.45Å; K132-K134 VanDerWaalsContact O-N 3.14Å; K134-S136 WeakPolarHBondContact CD-OG 3.49Å; K134-S136 WeakPolarHBondContact CG-OG 3.49Å; K134-S136 PolarHBondContact O-N 3.01Å; K134-S136 VanDerWaalsContact O-N 3.08Å | ||
| 135 | D | 37.8 | Very low | 47.9 | Very low | 76 Ų | 76 | 81 Ų | 81 | 41% | 0.406 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -62.8 | -9.6 | 164.5 | -77.7 | -27.1 | 0 | 0 | 0 | 109.3 | Q133 L137 L138 Q139 | Q133-D135 PolarHBondContact O-N 3.17Å; D135-L137 PolarHBondContact O-N 2.68Å; D135-L138 CarbonylContact O-C 3.53Å; D135-L138 PolarHBondContact O-N 3.17Å; D135-Q139 VanDerWaalsContact O-CB 3.23Å; D135-Q139 WeakPolarHBondContact O-CB 3.33Å; D135-Q139 PolarHBondContact O-N 3.31Å |
| 136 | S | 31 | Very low | 48.5 | Very low | 65 Ų | 65 | 84.9 Ų | 84.9 | 46% | 0.455 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -54.5 | -22.1 | 175 | 65.9 | 0 | 0 | 0 | 0 | 114.6 | K134 | K134-S136 WeakPolarHBondContact CD-OG 3.49Å; K134-S136 WeakPolarHBondContact CG-OG 3.49Å; K134-S136 PolarHBondContact O-N 3.01Å; K134-S136 VanDerWaalsContact O-N 3.08Å |
| 137 | L | 36.2 | Very low | 48.8 | Very low | 74 Ų | 74 | 89.6 Ų | 89.6 | 39% | 0.387 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -87.8 | -24.6 | 174.4 | -78.8 | 171.3 | 0 | 0 | 0 | 113.6 | D135 T336 | D135-L137 PolarHBondContact O-N 2.68Å; L137-T336 HydrophobicContact CD1-CG2 4.34Å |
| 138 | L | 36.2 | Very low | 49.3 | Very low | 47 Ų | 47 | 87.8 Ų | 87.8 | 25% | 0.246 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -12.7 | 172.4 | -77.3 | 158.8 | 0 | 0 | 0 | 112.6 | D135 A140 F333 N399 L400 V403 | D135-L138 CarbonylContact O-C 3.53Å; D135-L138 PolarHBondContact O-N 3.17Å; L138-A140 PolarHBondContact O-N 3.03Å; L138-F333 HydrophobicContact CD2-CE1 4.33Å; L138-N399 PolarHBondContact O-ND2 3.24Å; L138-N399 VanDerWaalsContact O-ND2 3.17Å; L138-L400 HydrophobicContact CD1-CD2 3.56Å; L138-L400 HydrophobicContact CD2-CD2 4.35Å; L138-V403 HydrophobicContact CD2-CG2 3.68Å |
| 139 | Q | 33.8 | Very low | 49.7 | Very low | 131 Ų | 131 | 92 Ų | 92 | 61% | 0.612 | 47% | 0.468 | S | S | * | . | trans | -89.1 | 34.4 | 167.7 | -156.2 | 163.7 | 9.7 | 0 | 0 | 110.5 | D135 S141 | D135-Q139 VanDerWaalsContact O-CB 3.23Å; D135-Q139 WeakPolarHBondContact O-CB 3.33Å; D135-Q139 PolarHBondContact O-N 3.31Å; Q139-S141 PolarHBondContact O-N 3.47Å | ||
| 140 | A | 37.3 | Very low | 50.4 | Low | 50 Ų | 50 | 94.1 Ų | 94.1 | 41% | 0.413 | 48% | 0.48 | S | S | . | . | trans | -68.1 | 63.7 | 140.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | L138 M142 | L138-A140 PolarHBondContact O-N 3.03Å; A140-M142 PolarHBondContact O-N 2.92Å | ||
| 141 | S | 37.5 | Very low | 51.3 | Low | 43 Ų | 43 | 99.9 Ų | 99.9 | 30% | 0.301 | 51% | 0.509 | S | S | . | . | trans | -52.3 | 101.9 | 142.7 | -67.1 | 0 | 0 | 0 | 0 | 102.6 | Q139 P143 Q395 | Q139-S141 PolarHBondContact O-N 3.47Å; S141-P143 VanDerWaalsContact C-N 3.27Å; S141-P143 WeakPolarHBondContact O-CD 3.49Å; S141-Q395 PolarHBondContact OG-NE2 3.05Å; S141-Q395 VanDerWaalsContact OG-NE2 3.16Å | ||
| 142 | M | 42.2 | Very low | 52.6 | Low | 74 Ų | 74 | 99.5 Ų | 99.5 | 37% | 0.365 | 51% | 0.507 | S | S | . | . | trans | -54.3 | 109.6 | 160.7 | -71.4 | -146.9 | -108.6 | 0 | 0 | 102.9 | A140 I144 L325 V329 F406 | A140-M142 PolarHBondContact O-N 2.92Å; M142-I144 HydrophobicContact CB-CD1 4.37Å; M142-I144 HydrophobicContact CB-CG1 3.88Å; M142-I144 PolarHBondContact O-N 3.26Å; M142-L325 HydrophobicContact CE-CD2 3.91Å; M142-L325 HydrophobicContact CE-CG 4.18Å; M142-L325 HydrophobicContact SD-CD1 3.81Å; M142-L325 HydrophobicContact SD-CD2 3.93Å; M142-L325 HydrophobicContact SD-CG 4.02Å; M142-V329 HydrophobicContact CE-CG2 4.38Å; M142-V329 HydrophobicContact SD-CG2 4.12Å; M142-F406 HydrophobicContact CE-CE2 4.3Å | ||
| 143 | P | 44.3 | Very low | 54.2 | Low | 108 Ų | 108 | 96.3 Ų | 96.3 | 70% | 0.701 | 50% | 0.496 | S | S | * | . | trans | -76 | 75.6 | 176.2 | 29.9 | -20.5 | 0 | 0 | 0 | 102.8 | S141 D145 | S141-P143 VanDerWaalsContact C-N 3.27Å; S141-P143 WeakPolarHBondContact O-CD 3.49Å; P143-D145 PolarHBondContact O-N 2.93Å | ||
| 144 | I | 53.7 | Low | 56.4 | Low | 79 Ų | 79 | 92.6 Ų | 92.6 | 41% | 0.405 | 49% | 0.486 | S | S | . | . | trans | -71.5 | 94.1 | 167.1 | -58 | -178.8 | 0 | 0 | 0 | 101.9 | M142 R146 I148 L149 | M142-I144 HydrophobicContact CB-CD1 4.37Å; M142-I144 HydrophobicContact CB-CG1 3.88Å; M142-I144 PolarHBondContact O-N 3.26Å; I144-R146 PolarHBondContact O-N 2.97Å; I144-I148 HydrophobicContact CG2-CB 3.96Å; I144-I148 HydrophobicContact CG2-CG2 3.75Å; I144-L149 HydrophobicContact CG2-CB 3.97Å | ||
| 145 | D | 61.5 | Low | 58.7 | Low | 99 Ų | 99 | 87.1 Ų | 87.1 | 53% | 0.529 | 46% | 0.464 | S | S | . | . | trans | -44.6 | 139.5 | 175.4 | -77.3 | -35.5 | 0 | 0 | 0 | 108.5 | P143 N147 I148 L149 | P143-D145 PolarHBondContact O-N 2.93Å; D145-N147 CarbonylContact O-C 3.57Å; D145-N147 PolarHBondContact O-N 3.4Å; D145-I148 HydrophobicContact CB-CB 4.38Å; D145-I148 HydrophobicContact CB-CD1 3.99Å; D145-I148 HydrophobicContact CB-CG1 4.01Å; D145-I148 WeakPolarHBondContact O-CA 3.28Å; D145-I148 WeakPolarHBondContact O-CB 3.46Å; D145-I148 PolarHBondContact O-N 3Å; D145-L149 PolarHBondContact O-N 2.84Å | ||
| 146 | R | 69.4 | Low | 60.8 | Low | 194 Ų | 194 | 86.8 Ų | 86.8 | 73% | 0.732 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -50 | -33 | 178.8 | -171.1 | 171 | 70.9 | -123.2 | 4.1 | 111.3 | I144 L149 M150 | I144-R146 PolarHBondContact O-N 2.97Å; R146-L149 PolarHBondContact O-N 3.4Å; R146-M150 HydrophobicContact CG-CE 4.48Å; R146-M150 WeakPolarHBondContact O-CB 3.37Å; R146-M150 VanDerWaalsContact O-CG 3.27Å; R146-M150 WeakPolarHBondContact O-CG 3.22Å; R146-M150 PolarHBondContact O-N 3.19Å |
| 147 | N | 71.5 | Confident | 63.6 | Low | 113 Ų | 113 | 86.2 Ų | 86.2 | 60% | 0.604 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -65.6 | -42.5 | 174.8 | -64.2 | -4.6 | 0 | 0 | 0 | 113.2 | D145 M150 L151 | D145-N147 CarbonylContact O-C 3.57Å; D145-N147 PolarHBondContact O-N 3.4Å; N147-M150 PolarHBondContact O-N 3.43Å; N147-M150 WeakPolarHBondContact OD1-CE 3.14Å; N147-L151 PolarHBondContact O-N 3.46Å |
| 148 | I | 74.4 | Confident | 66 | Low | 75 Ų | 75 | 86.3 Ų | 86.3 | 39% | 0.385 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 175 | -63.6 | 172.2 | 0 | 0 | 0 | 109.9 | I144 D145 M150 L151 I152 | I144-I148 HydrophobicContact CG2-CB 3.96Å; I144-I148 HydrophobicContact CG2-CG2 3.75Å; D145-I148 HydrophobicContact CB-CB 4.38Å; D145-I148 HydrophobicContact CB-CD1 3.99Å; D145-I148 HydrophobicContact CB-CG1 4.01Å; D145-I148 WeakPolarHBondContact O-CA 3.28Å; D145-I148 WeakPolarHBondContact O-CB 3.46Å; D145-I148 PolarHBondContact O-N 3Å; I148-M150 PolarHBondContact O-N 2.92Å; I148-L151 PolarHBondContact O-N 3.1Å; I148-L151 VanDerWaalsContact O-N 3.12Å; I148-I152 HydrophobicContact CG2-CD1 3.45Å; I148-I152 VanDerWaalsContact CG2-CD1 3.45Å; I148-I152 HydrophobicContact CG2-CG1 4.08Å; I148-I152 WeakPolarHBondContact O-CB 3.38Å; I148-I152 WeakPolarHBondContact O-CG1 3.18Å; I148-I152 PolarHBondContact O-N 2.93Å |
| 149 | L | 71.6 | Confident | 68.4 | Low | 90 Ų | 90 | 85.8 Ų | 85.8 | 47% | 0.471 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 177 | -176.2 | 63.8 | 0 | 0 | 0 | 111.7 | I144 D145 R146 L151 I152 L153 | I144-L149 HydrophobicContact CG2-CB 3.97Å; D145-L149 PolarHBondContact O-N 2.84Å; R146-L149 PolarHBondContact O-N 3.4Å; L149-L151 PolarHBondContact O-N 3.22Å; L149-I152 PolarHBondContact O-N 2.82Å; L149-L153 VanDerWaalsContact O-CB 3.3Å; L149-L153 WeakPolarHBondContact O-CB 3.3Å; L149-L153 PolarHBondContact O-N 2.76Å |
| 150 | M | 77.7 | Confident | 71 | Confident | 113 Ų | 113 | 81.5 Ų | 81.5 | 56% | 0.557 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.8 | -28.4 | 175.4 | -74.8 | -171.6 | -61.6 | 0 | 0 | 112.8 | R146 N147 I148 P154 | R146-M150 HydrophobicContact CG-CE 4.48Å; R146-M150 WeakPolarHBondContact O-CB 3.37Å; R146-M150 VanDerWaalsContact O-CG 3.27Å; R146-M150 WeakPolarHBondContact O-CG 3.22Å; R146-M150 PolarHBondContact O-N 3.19Å; N147-M150 PolarHBondContact O-N 3.43Å; N147-M150 WeakPolarHBondContact OD1-CE 3.14Å; I148-M150 PolarHBondContact O-N 2.92Å; M150-P154 WeakPolarHBondContact O-CD 3.46Å; M150-P154 WeakPolarHBondContact O-CG 3.22Å |
| 151 | L | 80.8 | Confident | 73.4 | Confident | 133 Ų | 133 | 79.9 Ų | 79.9 | 70% | 0.696 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -81.7 | -41.4 | 175.9 | -172.7 | 70.3 | 0 | 0 | 0 | 112.7 | N147 I148 L149 | N147-L151 PolarHBondContact O-N 3.46Å; I148-L151 PolarHBondContact O-N 3.1Å; I148-L151 VanDerWaalsContact O-N 3.12Å; L149-L151 PolarHBondContact O-N 3.22Å |
| 152 | I | 80.3 | Confident | 75.8 | Confident | 66 Ų | 66 | 77.9 Ų | 77.9 | 34% | 0.338 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -75.6 | -37.8 | -175 | -68.9 | 177.7 | 0 | 0 | 0 | 111.6 | I148 L149 L155 I156 | I148-I152 HydrophobicContact CG2-CD1 3.45Å; I148-I152 VanDerWaalsContact CG2-CD1 3.45Å; I148-I152 HydrophobicContact CG2-CG1 4.08Å; I148-I152 WeakPolarHBondContact O-CB 3.38Å; I148-I152 WeakPolarHBondContact O-CG1 3.18Å; I148-I152 PolarHBondContact O-N 2.93Å; L149-I152 PolarHBondContact O-N 2.82Å; I152-L155 WeakPolarHBondContact O-CA 3.42Å; I152-L155 VanDerWaalsContact O-CB 3.26Å; I152-L155 WeakPolarHBondContact O-CB 3.36Å; I152-L155 PolarHBondContact O-N 3.4Å; I152-L155 VanDerWaalsContact O-N 3.09Å; I152-I156 HydrophobicContact CG2-CD1 3.59Å; I152-I156 HydrophobicContact CG2-CG1 3.96Å; I152-I156 WeakPolarHBondContact O-CG1 3.48Å; I152-I156 PolarHBondContact O-N 3.37Å |
| 153 | L | 84.2 | Confident | 77.8 | Confident | 69 Ų | 69 | 75.3 Ų | 75.3 | 36% | 0.361 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.5 | -48.4 | -173.8 | -170.1 | 71.2 | 0 | 0 | 0 | 113.3 | L149 L155 I156 L157 F285 | L149-L153 VanDerWaalsContact O-CB 3.3Å; L149-L153 WeakPolarHBondContact O-CB 3.3Å; L149-L153 PolarHBondContact O-N 2.76Å; L153-L155 PolarHBondContact O-N 3.4Å; L153-I156 PolarHBondContact O-N 3.36Å; L153-L157 WeakPolarHBondContact O-CG 3.43Å; L153-L157 PolarHBondContact O-N 3.38Å; L153-F285 HydrophobicContact CD1-CE1 3.98Å; L153-F285 HydrophobicContact CD1-CZ 3.5Å; L153-F285 VanDerWaalsContact CD1-CZ 3.5Å; L153-F285 HydrophobicContact CD2-CZ 4.4Å; L153-F285 HydrophobicContact CG-CZ 4.08Å |
| 154 | P | 86.7 | Confident | 79.9 | Confident | 75 Ų | 75 | 70.2 Ų | 70.2 | 49% | 0.487 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.4 | -35.5 | 174.2 | -22.6 | 34.2 | 0 | 0 | 0 | 112.3 | M150 L157 L158 | M150-P154 WeakPolarHBondContact O-CD 3.46Å; M150-P154 WeakPolarHBondContact O-CG 3.22Å; P154-L157 PolarHBondContact O-N 2.95Å; P154-L158 WeakPolarHBondContact O-CB 3.41Å; P154-L158 PolarHBondContact O-N 3.43Å |
| 155 | L | 84.4 | Confident | 81.5 | Confident | 56 Ų | 56 | 66.4 Ų | 66.4 | 29% | 0.293 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.1 | -40.6 | 179.9 | -158.3 | 64.4 | 0 | 0 | 0 | 111.8 | I152 L153 N159 L314 L318 | I152-L155 WeakPolarHBondContact O-CA 3.42Å; I152-L155 VanDerWaalsContact O-CB 3.26Å; I152-L155 WeakPolarHBondContact O-CB 3.36Å; I152-L155 PolarHBondContact O-N 3.4Å; I152-L155 VanDerWaalsContact O-N 3.09Å; L153-L155 PolarHBondContact O-N 3.4Å; L155-N159 VanDerWaalsContact O-CB 3.25Å; L155-N159 WeakPolarHBondContact O-CB 3.17Å; L155-N159 PolarHBondContact O-N 3.35Å; L155-L314 HydrophobicContact CD1-CD1 3.79Å; L155-L314 HydrophobicContact CD1-CD2 3.45Å; L155-L314 VanDerWaalsContact CD1-CD2 3.45Å; L155-L314 HydrophobicContact CD1-CG 4.17Å; L155-L314 HydrophobicContact CD2-CD1 4.07Å; L155-L314 HydrophobicContact CG-CD1 4.1Å; L155-L314 HydrophobicContact CG-CD2 4.13Å; L155-L318 HydrophobicContact CD2-CD2 3.74Å; L155-L318 HydrophobicContact CD2-CG 4.44Å; L155-L318 HydrophobicContact CG-CD1 4.21Å; L155-L318 HydrophobicContact CG-CD2 4.27Å |
| 156 | I | 82.9 | Confident | 82.5 | Confident | 69 Ų | 69 | 64 Ų | 64 | 35% | 0.354 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.3 | -48.3 | 173.1 | -67.5 | 172.7 | 0 | 0 | 0 | 110.3 | I152 L153 L158 N159 K160 | I152-I156 HydrophobicContact CG2-CD1 3.59Å; I152-I156 HydrophobicContact CG2-CG1 3.96Å; I152-I156 WeakPolarHBondContact O-CG1 3.48Å; I152-I156 PolarHBondContact O-N 3.37Å; L153-I156 PolarHBondContact O-N 3.36Å; I156-L158 VanDerWaalsContact C-N 3.34Å; I156-L158 PolarHBondContact O-N 2.96Å; I156-N159 WeakPolarHBondContact O-CB 3.47Å; I156-N159 PolarHBondContact O-N 2.91Å; I156-K160 HydrophobicContact CG2-CG 4.47Å; I156-K160 WeakPolarHBondContact O-CG 3.44Å; I156-K160 PolarHBondContact O-N 2.94Å |
| 157 | L | 88.6 | Confident | 83.2 | Confident | 53 Ų | 53 | 54.9 Ų | 54.9 | 28% | 0.277 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 179.5 | -71.9 | 175.5 | 0 | 0 | 0 | 111.7 | L153 P154 N159 K160 C161 F285 P289 | L153-L157 WeakPolarHBondContact O-CG 3.43Å; L153-L157 PolarHBondContact O-N 3.38Å; P154-L157 PolarHBondContact O-N 2.95Å; L157-N159 VanDerWaalsContact C-N 3.33Å; L157-N159 PolarHBondContact O-N 2.54Å; L157-K160 PolarHBondContact O-N 2.77Å; L157-C161 WeakPolarHBondContact O-CB 3.32Å; L157-C161 PolarHBondContact O-N 3.41Å; L157-F285 HydrophobicContact CD1-CE2 4.32Å; L157-F285 HydrophobicContact CD1-CZ 4.06Å; L157-F285 HydrophobicContact CD2-CD1 4.43Å; L157-F285 HydrophobicContact CD2-CE1 3.78Å; L157-F285 HydrophobicContact CD2-CE2 3.93Å; L157-F285 HydrophobicContact CD2-CZ 3.47Å; L157-F285 VanDerWaalsContact CD2-CZ 3.47Å; L157-F285 HydrophobicContact CG-CE1 4.44Å; L157-F285 HydrophobicContact CG-CZ 3.89Å; L157-P289 HydrophobicContact CD2-CB 4.37Å; L157-P289 HydrophobicContact CD2-CG 3.84Å |
| 158 | L | 87.9 | Confident | 83.6 | Confident | 76 Ų | 76 | 54.1 Ų | 54.1 | 40% | 0.398 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 175.8 | -174.9 | 62.7 | 0 | 0 | 0 | 111 | P154 I156 K160 C161 A162 L307 I311 | P154-L158 WeakPolarHBondContact O-CB 3.41Å; P154-L158 PolarHBondContact O-N 3.43Å; I156-L158 VanDerWaalsContact C-N 3.34Å; I156-L158 PolarHBondContact O-N 2.96Å; L158-K160 PolarHBondContact O-N 3.48Å; L158-C161 WeakPolarHBondContact O-CB 3.41Å; L158-C161 PolarHBondContact O-N 3.39Å; L158-A162 PolarHBondContact O-N 3.25Å; L158-L307 HydrophobicContact CD1-CD1 4.19Å; L158-I311 HydrophobicContact CD1-CD1 3.81Å; L158-I311 HydrophobicContact CD2-CD1 4.19Å; L158-I311 HydrophobicContact CG-CD1 3.57Å; L158-I311 HydrophobicContact CG-CG1 4.42Å |
| 159 | N | 86.2 | Confident | 83.7 | Confident | 36 Ų | 36 | 54.1 Ų | 54.1 | 19% | 0.193 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 175.4 | -173.8 | 55.7 | 0 | 0 | 0 | 112.6 | L155 I156 L157 A162 F163 S315 L318 | L155-N159 VanDerWaalsContact O-CB 3.25Å; L155-N159 WeakPolarHBondContact O-CB 3.17Å; L155-N159 PolarHBondContact O-N 3.35Å; I156-N159 WeakPolarHBondContact O-CB 3.47Å; I156-N159 PolarHBondContact O-N 2.91Å; L157-N159 VanDerWaalsContact C-N 3.33Å; L157-N159 PolarHBondContact O-N 2.54Å; N159-A162 PolarHBondContact O-N 2.95Å; N159-F163 PolarHBondContact O-N 2.82Å; N159-S315 WeakPolarHBondContact OD1-CB 3.3Å; N159-S315 PolarHBondContact OD1-OG 3.28Å; N159-L318 HydrophobicContact CB-CD1 3.92Å |
| 160 | K | 87.6 | Confident | 83.9 | Confident | 41 Ų | 41 | 56.8 Ų | 56.8 | 18% | 0.178 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.1 | -38.5 | 174.2 | -68.4 | -59.4 | -175.6 | 180 | 0 | 112.1 | I156 L157 L158 F163 G164 I286 P289 V290 | I156-K160 HydrophobicContact CG2-CG 4.47Å; I156-K160 WeakPolarHBondContact O-CG 3.44Å; I156-K160 PolarHBondContact O-N 2.94Å; L157-K160 PolarHBondContact O-N 2.77Å; L158-K160 PolarHBondContact O-N 3.48Å; K160-F163 WeakPolarHBondContact O-CB 3.23Å; K160-F163 PolarHBondContact O-N 3.04Å; K160-G164 PolarHBondContact O-N 3.28Å; K160-I286 HydrophobicContact CD-CG2 4.01Å; K160-I286 HydrophobicContact CG-CG2 4.41Å; K160-P289 HydrophobicContact CB-CB 4.09Å; K160-P289 HydrophobicContact CB-CG 3.84Å; K160-V290 HydrophobicContact CB-CG2 4.1Å; K160-V290 WeakPolarHBondContact O-CG2 3.48Å |
| 161 | C | 89.1 | Confident | 83.8 | Confident | 15 Ų | 15 | 52.6 Ų | 52.6 | 10% | 0.101 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 172.9 | -174 | 0 | 0 | 0 | 0 | 111.6 | L157 L158 F163 G164 C165 P289 G293 | L157-C161 WeakPolarHBondContact O-CB 3.32Å; L157-C161 PolarHBondContact O-N 3.41Å; L158-C161 WeakPolarHBondContact O-CB 3.41Å; L158-C161 PolarHBondContact O-N 3.39Å; C161-F163 VanDerWaalsContact C-N 3.3Å; C161-F163 PolarHBondContact O-N 2.97Å; C161-G164 WeakPolarHBondContact O-CA 3.48Å; C161-G164 PolarHBondContact O-N 3.43Å; C161-C165 PolarHBondContact O-N 3.35Å; C161-P289 VanDerWaalsContact CA-O 3.29Å; C161-P289 WeakPolarHBondContact CA-O 3.32Å; C161-P289 HydrophobicContact CB-CB 4.3Å; C161-G293 VanDerWaalsContact O-CA 3.31Å; C161-G293 WeakPolarHBondContact O-CA 3.11Å |
| 162 | A | 86.6 | Confident | 83.7 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.9 | -37.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L158 N159 G164 C165 K166 I311 | L158-A162 PolarHBondContact O-N 3.25Å; N159-A162 PolarHBondContact O-N 2.95Å; A162-G164 VanDerWaalsContact C-N 3.29Å; A162-C165 WeakPolarHBondContact O-CB 3.39Å; A162-C165 PolarHBondContact O-N 3.11Å; A162-K166 PolarHBondContact O-N 2.76Å; A162-I311 HydrophobicContact CB-CB 3.59Å; A162-I311 HydrophobicContact CB-CD1 3.4Å; A162-I311 HydrophobicContact CB-CG1 4.08Å; A162-I311 HydrophobicContact CB-CG2 3.28Å |
| 163 | F | 84.8 | Confident | 83.5 | Confident | 21 Ų | 21 | 51.3 Ų | 51.3 | 9% | 0.092 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59 | -44.5 | 172.1 | 176.4 | -97.2 | 0 | 0 | 0 | 110.6 | N159 K160 C161 C165 K166 I167 Y227 I241 T244 V290 | N159-F163 PolarHBondContact O-N 2.82Å; K160-F163 WeakPolarHBondContact O-CB 3.23Å; K160-F163 PolarHBondContact O-N 3.04Å; C161-F163 VanDerWaalsContact C-N 3.3Å; C161-F163 PolarHBondContact O-N 2.97Å; F163-C165 VanDerWaalsContact C-N 3.28Å; F163-C165 PolarHBondContact O-N 2.96Å; F163-K166 WeakPolarHBondContact O-CB 3.38Å; F163-K166 PolarHBondContact O-N 3.41Å; F163-K166 VanDerWaalsContact O-N 3.13Å; F163-I167 HydrophobicContact CD1-CD1 4.48Å; F163-I167 HydrophobicContact CE1-CD1 4.1Å; F163-Y227 HydrophobicContact CD2-CD1 4.18Å; F163-Y227 AromaticContact CD2-CE1 3.68Å; F163-Y227 HydrophobicContact CD2-CE1 3.68Å; F163-Y227 AromaticContact CE2-CD1 3.61Å; F163-Y227 HydrophobicContact CE2-CD1 3.61Å; F163-Y227 AromaticContact CE2-CE1 3.62Å; F163-Y227 HydrophobicContact CE2-CE1 3.62Å; F163-I241 HydrophobicContact CE2-CG1 4.42Å; F163-I241 HydrophobicContact CZ-CG2 4.23Å; F163-T244 HydrophobicContact CZ-CG2 4.22Å; F163-V290 HydrophobicContact CD1-CG1 4.27Å; F163-V290 HydrophobicContact CD1-CG2 4.22Å |
| 164 | G | 87.1 | Confident | 83 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.7 | -36.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K160 C161 A162 K166 I167 V290 G293 I294 | K160-G164 PolarHBondContact O-N 3.28Å; C161-G164 WeakPolarHBondContact O-CA 3.48Å; C161-G164 PolarHBondContact O-N 3.43Å; A162-G164 VanDerWaalsContact C-N 3.29Å; G164-K166 PolarHBondContact O-N 3.42Å; G164-I167 WeakPolarHBondContact O-CB 3.41Å; G164-I167 PolarHBondContact O-N 3.15Å; G164-I167 VanDerWaalsContact O-N 3.11Å; G164-V290 WeakPolarHBondContact CA-O 3.45Å; G164-G293 VanDerWaalsContact C-C 3.49Å; G164-I294 WeakPolarHBondContact O-CG1 3.39Å; G164-I294 PolarHBondContact O-N 3.48Å |
| 165 | C | 87.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.9 | -26.4 | 177.3 | -67.1 | 0 | 0 | 0 | 0 | 113.8 | C161 A162 F163 I167 G293 K297 A304 E308 | C161-C165 PolarHBondContact O-N 3.35Å; A162-C165 WeakPolarHBondContact O-CB 3.39Å; A162-C165 PolarHBondContact O-N 3.11Å; F163-C165 VanDerWaalsContact C-N 3.28Å; F163-C165 PolarHBondContact O-N 2.96Å; C165-I167 PolarHBondContact O-N 3.43Å; C165-G293 PolarHBondContact SG-O 3.36Å; C165-K297 WeakPolarHBondContact O-CD 3.48Å; C165-K297 WeakPolarHBondContact O-CE 3.37Å; C165-K297 VanDerWaalsContact O-CG 3.23Å; C165-K297 WeakPolarHBondContact O-CG 3.46Å; C165-A304 HydrophobicContact CB-CB 4.17Å; C165-E308 HydrophobicContact CB-CG 3.93Å |
| 166 | K | 83.4 | Confident | 82.3 | Confident | 48 Ų | 48 | 57 Ų | 57 | 21% | 0.209 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -11.4 | 176.8 | -60.2 | 177 | -174.2 | -179.6 | 0 | 113.2 | A162 F163 G164 Y227 I241 E308 | A162-K166 PolarHBondContact O-N 2.76Å; F163-K166 WeakPolarHBondContact O-CB 3.38Å; F163-K166 PolarHBondContact O-N 3.41Å; F163-K166 VanDerWaalsContact O-N 3.13Å; G164-K166 PolarHBondContact O-N 3.42Å; K166-Y227 PolarHBondContact NZ-OH 3.29Å; K166-I241 HydrophobicContact CB-CD1 4.37Å; K166-E308 HydrophobicContact CG-CG 4.16Å |
| 167 | I | 84 | Confident | 82.4 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.015 | 29% | 0.29 | C | S | . | . | trans | -92.7 | 112.4 | -174.9 | -53 | 178.9 | 0 | 0 | 0 | 108.8 | F163 G164 C165 F172 I241 C245 V290 I294 | F163-I167 HydrophobicContact CD1-CD1 4.48Å; F163-I167 HydrophobicContact CE1-CD1 4.1Å; G164-I167 WeakPolarHBondContact O-CB 3.41Å; G164-I167 PolarHBondContact O-N 3.15Å; G164-I167 VanDerWaalsContact O-N 3.11Å; C165-I167 PolarHBondContact O-N 3.43Å; I167-F172 HydrophobicContact CG2-CD2 4.32Å; I167-F172 HydrophobicContact CG2-CE2 3.58Å; I167-F172 HydrophobicContact CG2-CZ 4.36Å; I167-I241 HydrophobicContact CD1-CG2 4.19Å; I167-I241 HydrophobicContact CG1-CG2 3.56Å; I167-C245 HydrophobicContact CD1-CB 4.01Å; I167-V290 HydrophobicContact CD1-CG1 4.25Å; I167-I294 HydrophobicContact CB-CG1 4.02Å; I167-I294 HydrophobicContact CD1-CD1 4.03Å; I167-I294 HydrophobicContact CD1-CG1 4.13Å; I167-I294 HydrophobicContact CG2-CD1 4.47Å; I167-I294 HydrophobicContact CG2-CG1 4.36Å | ||
| 168 | E | 81.1 | Confident | 82.2 | Confident | 96 Ų | 96 | 68 Ų | 68 | 45% | 0.449 | 31% | 0.311 | S | S | . | . | trans | -88.3 | 126.2 | 171.8 | -78.3 | 175.3 | -161.6 | 0 | 0 | 110.5 | Q170 V171 | E168-Q170 PolarHBondContact O-N 2.89Å; E168-Q170 VanDerWaalsContact O-N 3.14Å; E168-V171 HydrophobicContact CB-CG2 3.64Å; E168-V171 VanDerWaalsContact O-CB 3.31Å; E168-V171 WeakPolarHBondContact O-CB 3.28Å; E168-V171 PolarHBondContact O-N 3.23Å | ||
| 169 | L | 76.2 | Confident | 82.4 | Confident | 76 Ų | 76 | 67.1 Ų | 67.1 | 40% | 0.398 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58 | -29.7 | 178.9 | -92.2 | 113.8 | 0 | 0 | 0 | 113.2 | V171 F172 I294 R298 | L169-V171 PolarHBondContact O-N 2.99Å; L169-F172 WeakPolarHBondContact O-CB 3.45Å; L169-F172 PolarHBondContact O-N 3.34Å; L169-I294 HydrophobicContact CD1-CG2 3.67Å; L169-I294 HydrophobicContact CG-CG2 4.3Å; L169-R298 HydrophobicContact CD1-CB 3.92Å; L169-R298 HydrophobicContact CD1-CG 4.07Å |
| 170 | Q | 75.8 | Confident | 82.8 | Confident | 145 Ų | 145 | 69.1 Ų | 69.1 | 68% | 0.678 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -64.1 | -29.1 | 177.2 | -63.7 | 179.8 | -0.1 | 0 | 0 | 111.5 | E168 F172 Q173 | E168-Q170 PolarHBondContact O-N 2.89Å; E168-Q170 VanDerWaalsContact O-N 3.14Å; Q170-F172 VanDerWaalsContact C-N 3.29Å; Q170-F172 PolarHBondContact O-N 3.22Å; Q170-Q173 WeakPolarHBondContact O-CB 3.3Å; Q170-Q173 WeakPolarHBondContact O-CG 3.49Å; Q170-Q173 PolarHBondContact O-N 3.25Å |
| 171 | V | 74.7 | Confident | 83.1 | Confident | 26 Ų | 26 | 67.6 Ų | 67.6 | 16% | 0.158 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -72 | -24.9 | 179.5 | -170.1 | 0 | 0 | 0 | 0 | 111.2 | E168 L169 Q173 T174 V175 T238 L242 | E168-V171 HydrophobicContact CB-CG2 3.64Å; E168-V171 VanDerWaalsContact O-CB 3.31Å; E168-V171 WeakPolarHBondContact O-CB 3.28Å; E168-V171 PolarHBondContact O-N 3.23Å; L169-V171 PolarHBondContact O-N 2.99Å; V171-Q173 PolarHBondContact O-N 2.84Å; V171-T174 WeakPolarHBondContact O-CA 3.31Å; V171-T174 WeakPolarHBondContact O-CB 3.25Å; V171-T174 PolarHBondContact O-N 2.9Å; V171-T174 PolarHBondContact O-OG1 3.24Å; V171-V175 PolarHBondContact O-N 2.97Å; V171-T238 HydrophobicContact CB-CG2 4.39Å; V171-T238 HydrophobicContact CG1-CG2 3.17Å; V171-T238 HydrophobicContact CG2-CG2 4.32Å; V171-L242 HydrophobicContact CB-CD1 4.49Å; V171-L242 HydrophobicContact CB-CD2 4.38Å; V171-L242 HydrophobicContact CG1-CD1 3.43Å; V171-L242 VanDerWaalsContact CG1-CD1 3.43Å; V171-L242 HydrophobicContact CG1-CD2 4.08Å; V171-L242 HydrophobicContact CG1-CG 3.89Å |
| 172 | F | 78.3 | Confident | 83.4 | Confident | 53 Ų | 53 | 67.7 Ų | 67.7 | 23% | 0.232 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.6 | -27.2 | 169.1 | -82.3 | -83 | 0 | 0 | 0 | 112.5 | I167 L169 Q170 T174 V175 W176 L242 T246 | I167-F172 HydrophobicContact CG2-CD2 4.32Å; I167-F172 HydrophobicContact CG2-CE2 3.58Å; I167-F172 HydrophobicContact CG2-CZ 4.36Å; L169-F172 WeakPolarHBondContact O-CB 3.45Å; L169-F172 PolarHBondContact O-N 3.34Å; Q170-F172 VanDerWaalsContact C-N 3.29Å; Q170-F172 PolarHBondContact O-N 3.22Å; F172-T174 PolarHBondContact O-N 2.93Å; F172-V175 WeakPolarHBondContact O-CB 3.45Å; F172-V175 PolarHBondContact O-N 3.29Å; F172-V175 VanDerWaalsContact O-N 3.1Å; F172-W176 VanDerWaalsContact O-CD1 3.23Å; F172-W176 PolarHBondContact O-N 2.99Å; F172-L242 HydrophobicContact CD1-CD2 4.11Å; F172-L242 HydrophobicContact CD2-CD2 4.25Å; F172-L242 HydrophobicContact CE1-CD2 4.24Å; F172-L242 HydrophobicContact CE2-CD2 4.39Å; F172-L242 HydrophobicContact CG-CD2 4.13Å; F172-L242 HydrophobicContact CZ-CD2 4.39Å; F172-T246 HydrophobicContact CE1-CG2 3.94Å |
| 173 | Q | 76.8 | Confident | 83.8 | Confident | 119 Ų | 119 | 72 Ų | 72 | 56% | 0.556 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.9 | -29.1 | 172.5 | -57.1 | -179.8 | -11.2 | 0 | 0 | 111.7 | Q170 V171 V175 W176 K177 | Q170-Q173 WeakPolarHBondContact O-CB 3.3Å; Q170-Q173 WeakPolarHBondContact O-CG 3.49Å; Q170-Q173 PolarHBondContact O-N 3.25Å; V171-Q173 PolarHBondContact O-N 2.84Å; Q173-V175 VanDerWaalsContact C-N 3.29Å; Q173-V175 PolarHBondContact O-N 3.3Å; Q173-W176 PolarHBondContact O-N 3.39Å; Q173-K177 WeakPolarHBondContact O-CG 3.31Å; Q173-K177 PolarHBondContact O-N 3.43Å; Q173-K177 VanDerWaalsContact O-N 3.07Å |
| 174 | T | 72.8 | Confident | 84.3 | Confident | 75 Ų | 75 | 72.1 Ų | 72.1 | 46% | 0.46 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.1 | -34.8 | 173.4 | -49.2 | 0 | 0 | 0 | 0 | 111.4 | V171 F172 K177 R178 | V171-T174 WeakPolarHBondContact O-CA 3.31Å; V171-T174 WeakPolarHBondContact O-CB 3.25Å; V171-T174 PolarHBondContact O-N 2.9Å; V171-T174 PolarHBondContact O-OG1 3.24Å; F172-T174 PolarHBondContact O-N 2.93Å; T174-K177 PolarHBondContact O-N 2.91Å; T174-R178 PolarHBondContact O-N 3.5Å |
| 175 | V | 79.1 | Confident | 84.7 | Confident | 21 Ų | 21 | 72.1 Ų | 72.1 | 13% | 0.127 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 173.1 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | V171 F172 Q173 K177 R178 P179 V182 L242 | V171-V175 PolarHBondContact O-N 2.97Å; F172-V175 WeakPolarHBondContact O-CB 3.45Å; F172-V175 PolarHBondContact O-N 3.29Å; F172-V175 VanDerWaalsContact O-N 3.1Å; Q173-V175 VanDerWaalsContact C-N 3.29Å; Q173-V175 PolarHBondContact O-N 3.3Å; V175-K177 VanDerWaalsContact C-N 3.27Å; V175-K177 PolarHBondContact O-N 3.36Å; V175-R178 CarbonylContact O-C 3.54Å; V175-R178 PolarHBondContact O-N 2.97Å; V175-P179 WeakPolarHBondContact O-CA 3.26Å; V175-P179 WeakPolarHBondContact O-CB 3.45Å; V175-P179 WeakPolarHBondContact O-CD 3.36Å; V175-V182 HydrophobicContact CG1-CB 4.3Å; V175-V182 HydrophobicContact CG1-CG1 4.41Å; V175-V182 HydrophobicContact CG1-CG2 3.95Å; V175-V182 HydrophobicContact CG2-CG2 4.2Å; V175-L242 HydrophobicContact CG2-CB 4.15Å; V175-L242 HydrophobicContact CG2-CD1 3.54Å; V175-L242 HydrophobicContact CG2-CD2 3.91Å; V175-L242 HydrophobicContact CG2-CG 4.08Å |
| 176 | W | 78.5 | Confident | 85.1 | Confident | 222 Ų | 222 | 73 Ų | 73 | 84% | 0.841 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63 | -33.9 | 177 | -70.9 | 102.3 | 0 | 0 | 0 | 113 | F172 Q173 | F172-W176 VanDerWaalsContact O-CD1 3.23Å; F172-W176 PolarHBondContact O-N 2.99Å; Q173-W176 PolarHBondContact O-N 3.39Å |
| 177 | K | 84 | Confident | 85.8 | Confident | 165 Ų | 165 | 74 Ų | 74 | 72% | 0.717 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -76.7 | -30.1 | 176.9 | -69.5 | 176.5 | -179.5 | 178.5 | 0 | 113.2 | Q173 T174 V175 | Q173-K177 WeakPolarHBondContact O-CG 3.31Å; Q173-K177 PolarHBondContact O-N 3.43Å; Q173-K177 VanDerWaalsContact O-N 3.07Å; T174-K177 PolarHBondContact O-N 2.91Å; V175-K177 VanDerWaalsContact C-N 3.27Å; V175-K177 PolarHBondContact O-N 3.36Å |
| 178 | R | 84.8 | Confident | 86.4 | Confident | 190 Ų | 190 | 73.9 Ų | 73.9 | 72% | 0.717 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -141.9 | 72.5 | -177.7 | -64.3 | -174.5 | -179.7 | 176.2 | 0.1 | 110.3 | T174 V175 L180 P181 | T174-R178 PolarHBondContact O-N 3.5Å; V175-R178 CarbonylContact O-C 3.54Å; V175-R178 PolarHBondContact O-N 2.97Å; R178-L180 VanDerWaalsContact C-N 3.31Å; R178-L180 PolarHBondContact O-N 3.18Å; R178-P181 VanDerWaalsContact O-CD 3.3Å; R178-P181 WeakPolarHBondContact O-CD 3.44Å |
| 179 | P | 92.4 | Very high | 87.1 | Confident | 57 Ų | 57 | 69.3 Ų | 69.3 | 37% | 0.37 | 33% | 0.333 | S | S | . | . | trans | -78 | -19.1 | -172.8 | 30.4 | -35.9 | 0 | 0 | 0 | 113 | V175 V182 I183 | V175-P179 WeakPolarHBondContact O-CA 3.26Å; V175-P179 WeakPolarHBondContact O-CB 3.45Å; V175-P179 WeakPolarHBondContact O-CD 3.36Å; P179-V182 PolarHBondContact O-N 3.27Å; P179-I183 HydrophobicContact CB-CD1 3.94Å; P179-I183 HydrophobicContact CB-CG1 4.44Å; P179-I183 HydrophobicContact CG-CD1 4.4Å; P179-I183 WeakPolarHBondContact O-CG1 3.31Å; P179-I183 PolarHBondContact O-N 3Å | ||
| 180 | L | 94.6 | Very high | 88.1 | Confident | 77 Ų | 77 | 65.7 Ų | 65.7 | 40% | 0.403 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -52.4 | -47.2 | -171.4 | -175.1 | 61.9 | 0 | 0 | 0 | 114.1 | R178 V182 I183 L184 C363 L365 | R178-L180 VanDerWaalsContact C-N 3.31Å; R178-L180 PolarHBondContact O-N 3.18Å; L180-V182 VanDerWaalsContact C-N 3.31Å; L180-V182 PolarHBondContact O-N 3.22Å; L180-I183 PolarHBondContact O-N 3.44Å; L180-L184 HydrophobicContact CD1-CD1 4.41Å; L180-L184 HydrophobicContact CD1-CG 4.27Å; L180-L184 HydrophobicContact CG-CD1 4.18Å; L180-L184 HydrophobicContact CG-CG 4.48Å; L180-L184 WeakPolarHBondContact O-CB 3.35Å; L180-L184 VanDerWaalsContact O-CG 3.28Å; L180-L184 WeakPolarHBondContact O-CG 3.45Å; L180-L184 PolarHBondContact O-N 3.32Å; L180-C363 HydrophobicContact CD2-CB 4.02Å; L180-L365 HydrophobicContact CD2-CD2 4.22Å |
| 181 | P | 94.4 | Very high | 89 | Confident | 9 Ų | 9 | 64.5 Ų | 64.5 | 6% | 0.058 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.7 | -35.2 | 179.4 | -17.9 | 31.8 | 0 | 0 | 0 | 113 | R178 G185 L239 M243 L365 V369 V373 | R178-P181 VanDerWaalsContact O-CD 3.3Å; R178-P181 WeakPolarHBondContact O-CD 3.44Å; P181-G185 PolarHBondContact O-N 3.18Å; P181-L239 HydrophobicContact CB-CD1 4.12Å; P181-L239 HydrophobicContact CB-CD2 3.84Å; P181-L239 HydrophobicContact CG-CD2 4.35Å; P181-M243 WeakPolarHBondContact O-CE 3.39Å; P181-L365 HydrophobicContact CB-CD1 4.3Å; P181-L365 HydrophobicContact CG-CD1 4.03Å; P181-L365 HydrophobicContact CG-CD2 4.45Å; P181-V369 HydrophobicContact CB-CG1 3.91Å; P181-V369 HydrophobicContact CG-CG1 3.76Å; P181-V373 HydrophobicContact CB-CG2 3.84Å |
| 182 | V | 94.6 | Very high | 90.1 | Very high | 17 Ų | 17 | 65.2 Ų | 65.2 | 10% | 0.103 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.5 | -43.4 | 178.5 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | V175 P179 L180 G185 A186 L239 M243 T246 | V175-V182 HydrophobicContact CG1-CB 4.3Å; V175-V182 HydrophobicContact CG1-CG1 4.41Å; V175-V182 HydrophobicContact CG1-CG2 3.95Å; V175-V182 HydrophobicContact CG2-CG2 4.2Å; P179-V182 PolarHBondContact O-N 3.27Å; L180-V182 VanDerWaalsContact C-N 3.31Å; L180-V182 PolarHBondContact O-N 3.22Å; V182-G185 PolarHBondContact O-N 2.8Å; V182-A186 WeakPolarHBondContact O-CB 3.37Å; V182-A186 PolarHBondContact O-N 3.47Å; V182-L239 HydrophobicContact CG2-CD1 4.17Å; V182-M243 HydrophobicContact CG2-CG 4.11Å; V182-T246 HydrophobicContact CG1-CG2 4.21Å; V182-T246 WeakPolarHBondContact CG1-OG1 3.3Å |
| 183 | I | 95.4 | Very high | 91 | Very high | 93 Ų | 93 | 62.8 Ų | 62.8 | 48% | 0.477 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 175.3 | -65.8 | 169.9 | 0 | 0 | 0 | 110.3 | P179 L180 G185 A186 V187 | P179-I183 HydrophobicContact CB-CD1 3.94Å; P179-I183 HydrophobicContact CB-CG1 4.44Å; P179-I183 HydrophobicContact CG-CD1 4.4Å; P179-I183 WeakPolarHBondContact O-CG1 3.31Å; P179-I183 PolarHBondContact O-N 3Å; L180-I183 PolarHBondContact O-N 3.44Å; I183-G185 VanDerWaalsContact C-N 3.34Å; I183-G185 PolarHBondContact O-N 3.08Å; I183-A186 PolarHBondContact O-N 3.05Å; I183-V187 HydrophobicContact CG2-CG2 4.29Å; I183-V187 WeakPolarHBondContact O-CG2 3.37Å; I183-V187 PolarHBondContact O-N 3.45Å |
| 184 | L | 96 | Very high | 91.9 | Very high | 23 Ų | 23 | 57.1 Ų | 57.1 | 12% | 0.12 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.6 | -47.3 | 176.5 | -74.5 | 173.5 | 0 | 0 | 0 | 111.5 | L180 A186 V187 I188 F359 C363 L365 V373 | L180-L184 HydrophobicContact CD1-CD1 4.41Å; L180-L184 HydrophobicContact CD1-CG 4.27Å; L180-L184 HydrophobicContact CG-CD1 4.18Å; L180-L184 HydrophobicContact CG-CG 4.48Å; L180-L184 WeakPolarHBondContact O-CB 3.35Å; L180-L184 VanDerWaalsContact O-CG 3.28Å; L180-L184 WeakPolarHBondContact O-CG 3.45Å; L180-L184 PolarHBondContact O-N 3.32Å; L184-A186 PolarHBondContact O-N 3.35Å; L184-V187 PolarHBondContact O-N 3.02Å; L184-I188 WeakPolarHBondContact O-CD1 3.41Å; L184-I188 VanDerWaalsContact O-CG1 3.24Å; L184-I188 WeakPolarHBondContact O-CG1 3.35Å; L184-I188 PolarHBondContact O-N 2.97Å; L184-F359 HydrophobicContact CD2-CB 4.34Å; L184-C363 HydrophobicContact CD1-CB 4.19Å; L184-L365 HydrophobicContact CD1-CD1 3.93Å; L184-V373 HydrophobicContact CB-CG1 4.44Å |
| 185 | G | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.7 | -46.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P181 V182 I183 V187 I188 Q189 | P181-G185 PolarHBondContact O-N 3.18Å; V182-G185 PolarHBondContact O-N 2.8Å; I183-G185 VanDerWaalsContact C-N 3.34Å; I183-G185 PolarHBondContact O-N 3.08Å; G185-V187 PolarHBondContact O-N 3.29Å; G185-I188 PolarHBondContact O-N 3.11Å; G185-Q189 VanDerWaalsContact O-CB 3.3Å; G185-Q189 WeakPolarHBondContact O-CB 3.37Å; G185-Q189 VanDerWaalsContact O-CG 3.22Å; G185-Q189 WeakPolarHBondContact O-CG 3.43Å; G185-Q189 PolarHBondContact O-N 3.28Å |
| 186 | A | 95.6 | Very high | 93.9 | Very high | 19 Ų | 19 | 58 Ų | 58 | 16% | 0.157 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V182 I183 L184 F190 L250 | V182-A186 WeakPolarHBondContact O-CB 3.37Å; V182-A186 PolarHBondContact O-N 3.47Å; I183-A186 PolarHBondContact O-N 3.05Å; L184-A186 PolarHBondContact O-N 3.35Å; A186-F190 WeakPolarHBondContact O-CB 3.45Å; A186-F190 WeakPolarHBondContact O-CD2 3.41Å; A186-F190 PolarHBondContact O-N 2.92Å; A186-L250 HydrophobicContact CB-CD2 3.71Å |
| 187 | V | 96.9 | Very high | 94.7 | Very high | 68 Ų | 68 | 47.5 Ų | 47.5 | 41% | 0.412 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.1 | -45 | 176.9 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | I183 L184 G185 F191 L192 | I183-V187 HydrophobicContact CG2-CG2 4.29Å; I183-V187 WeakPolarHBondContact O-CG2 3.37Å; I183-V187 PolarHBondContact O-N 3.45Å; L184-V187 PolarHBondContact O-N 3.02Å; G185-V187 PolarHBondContact O-N 3.29Å; V187-F191 VanDerWaalsContact O-CB 3.32Å; V187-F191 WeakPolarHBondContact O-CB 3.4Å; V187-F191 PolarHBondContact O-N 3.11Å; V187-L192 PolarHBondContact O-N 3.22Å |
| 188 | I | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -65.7 | -49.7 | 179.5 | -65 | 165.3 | 0 | 0 | 0 | 110.4 | L184 G185 F190 L192 M193 F355 F359 | L184-I188 WeakPolarHBondContact O-CD1 3.41Å; L184-I188 VanDerWaalsContact O-CG1 3.24Å; L184-I188 WeakPolarHBondContact O-CG1 3.35Å; L184-I188 PolarHBondContact O-N 2.97Å; G185-I188 PolarHBondContact O-N 3.11Å; I188-F190 PolarHBondContact O-N 3.44Å; I188-L192 HydrophobicContact CG1-CD2 4.43Å; I188-L192 HydrophobicContact CG2-CD2 4.49Å; I188-L192 PolarHBondContact O-N 3.29Å; I188-M193 HydrophobicContact CG2-CG 3.96Å; I188-M193 WeakPolarHBondContact O-CB 3.41Å; I188-M193 VanDerWaalsContact O-CG 3.3Å; I188-M193 WeakPolarHBondContact O-CG 3.23Å; I188-M193 PolarHBondContact O-N 3.49Å; I188-F355 HydrophobicContact CG2-CB 4.3Å; I188-F359 HydrophobicContact CD1-CB 4.38Å; I188-F359 HydrophobicContact CD1-CD2 3.87Å; I188-F359 HydrophobicContact CD1-CG 4.48Å; I188-F359 HydrophobicContact CG1-CD2 3.9Å; I188-F359 HydrophobicContact CG1-CE2 4.29Å |
| 189 | Q | 96.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -67.1 | -37.7 | -175.5 | -72.3 | 170.2 | -10.7 | 0 | 0 | 113.7 | G185 P194 S247 E376 L380 | G185-Q189 VanDerWaalsContact O-CB 3.3Å; G185-Q189 WeakPolarHBondContact O-CB 3.37Å; G185-Q189 VanDerWaalsContact O-CG 3.22Å; G185-Q189 WeakPolarHBondContact O-CG 3.43Å; G185-Q189 PolarHBondContact O-N 3.28Å; Q189-P194 VanDerWaalsContact O-CD 3.27Å; Q189-P194 WeakPolarHBondContact O-CD 3.45Å; Q189-S247 PolarHBondContact OE1-OG 3.19Å; Q189-E376 PolarHBondContact NE2-O 3.33Å; Q189-L380 HydrophobicContact CG-CD2 4.1Å |
| 190 | F | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -107.3 | -8.2 | -171.9 | -63.1 | -64.7 | 0 | 0 | 0 | 115 | A186 I188 T219 P221 S247 L250 A251 M254 M255 N258 | A186-F190 WeakPolarHBondContact O-CB 3.45Å; A186-F190 WeakPolarHBondContact O-CD2 3.41Å; A186-F190 PolarHBondContact O-N 2.92Å; I188-F190 PolarHBondContact O-N 3.44Å; F190-T219 WeakPolarHBondContact CE1-O 3.27Å; F190-P221 HydrophobicContact CZ-CB 4.07Å; F190-S247 VanDerWaalsContact CZ-O 3.3Å; F190-S247 WeakPolarHBondContact CZ-O 3.32Å; F190-L250 HydrophobicContact CD2-CD2 3.62Å; F190-L250 HydrophobicContact CD2-CG 4.01Å; F190-L250 HydrophobicContact CE2-CB 3.98Å; F190-L250 HydrophobicContact CE2-CD2 3.7Å; F190-L250 HydrophobicContact CE2-CG 3.84Å; F190-L250 HydrophobicContact CZ-CB 4.47Å; F190-A251 HydrophobicContact CE1-CB 4.01Å; F190-A251 HydrophobicContact CZ-CB 3.91Å; F190-M254 HydrophobicContact CB-CB 3.98Å; F190-M254 HydrophobicContact CB-CE 3.76Å; F190-M254 HydrophobicContact CB-CG 4.13Å; F190-M254 HydrophobicContact CD1-CB 3.45Å; F190-M254 VanDerWaalsContact CD1-CB 3.45Å; F190-M254 HydrophobicContact CD1-CG 4.24Å; F190-M254 HydrophobicContact CD2-CB 4.33Å; F190-M254 HydrophobicContact CD2-CG 4.26Å; F190-M254 HydrophobicContact CE1-CB 3.97Å; F190-M254 HydrophobicContact CG-CB 3.65Å; F190-M254 HydrophobicContact CG-CG 3.95Å; F190-M255 HydrophobicContact CE1-CG 4.41Å; F190-N258 PolarHBondContact O-ND2 3.32Å |
| 191 | F | 96.2 | Very high | 95.8 | Very high | 120 Ų | 120 | 30.1 Ų | 30.1 | 53% | 0.526 | 16% | 0.155 | S | C | . | . | I | π-helix | trans | -121.9 | -56.7 | 175.3 | -61.8 | -95.7 | 0 | 0 | 0 | 111.5 | V187 F195 M254 | V187-F191 VanDerWaalsContact O-CB 3.32Å; V187-F191 WeakPolarHBondContact O-CB 3.4Å; V187-F191 PolarHBondContact O-N 3.11Å; F191-F195 VanDerWaalsContact O-CB 3.27Å; F191-F195 WeakPolarHBondContact O-CB 3.28Å; F191-F195 PolarHBondContact O-N 3.17Å; F191-M254 HydrophobicContact CD2-CE 4.13Å; F191-M254 HydrophobicContact CE1-CE 4.1Å; F191-M254 HydrophobicContact CE2-CE 3.33Å; F191-M254 HydrophobicContact CZ-CE 3.32Å |
| 192 | L | 96.9 | Very high | 95.7 | Very high | 41 Ų | 41 | 34.5 Ų | 34.5 | 22% | 0.215 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -70.5 | -48.1 | -173.3 | -169.1 | 62.4 | 0 | 0 | 0 | 112.2 | V187 I188 F195 C196 F355 F359 | V187-L192 PolarHBondContact O-N 3.22Å; I188-L192 HydrophobicContact CG1-CD2 4.43Å; I188-L192 HydrophobicContact CG2-CD2 4.49Å; I188-L192 PolarHBondContact O-N 3.29Å; L192-F195 PolarHBondContact O-N 2.97Å; L192-C196 WeakPolarHBondContact O-CB 3.15Å; L192-C196 PolarHBondContact O-N 2.67Å; L192-C196 PolarHBondContact O-SG 2.95Å; L192-F355 HydrophobicContact CD2-CB 3.76Å; L192-F355 HydrophobicContact CD2-CD1 4.01Å; L192-F355 HydrophobicContact CD2-CD2 3.41Å; L192-F355 VanDerWaalsContact CD2-CD2 3.41Å; L192-F355 HydrophobicContact CD2-CE1 4.47Å; L192-F355 HydrophobicContact CD2-CE2 3.92Å; L192-F355 HydrophobicContact CD2-CG 3.46Å; L192-F355 VanDerWaalsContact CD2-CG 3.46Å; L192-F355 HydrophobicContact CD2-CZ 4.42Å; L192-F355 HydrophobicContact CG-CD2 3.92Å; L192-F355 HydrophobicContact CG-CE2 4.05Å; L192-F355 HydrophobicContact CG-CG 4.44Å; L192-F359 HydrophobicContact CD2-CE2 3.73Å; L192-F359 HydrophobicContact CD2-CZ 3.98Å |
| 193 | M | 97.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.1 | -47.9 | -178.7 | -73.5 | -58.1 | -68 | 0 | 0 | 112.5 | I188 F195 C196 G197 C218 V348 G352 L380 | I188-M193 HydrophobicContact CG2-CG 3.96Å; I188-M193 WeakPolarHBondContact O-CB 3.41Å; I188-M193 VanDerWaalsContact O-CG 3.3Å; I188-M193 WeakPolarHBondContact O-CG 3.23Å; I188-M193 PolarHBondContact O-N 3.49Å; M193-F195 VanDerWaalsContact C-N 3.29Å; M193-F195 PolarHBondContact O-N 2.98Å; M193-C196 PolarHBondContact O-N 3.35Å; M193-G197 PolarHBondContact O-N 3.28Å; M193-C218 HydrophobicContact CB-CB 4.4Å; M193-C218 WeakPolarHBondContact CB-O 3.46Å; M193-C218 VanDerWaalsContact O-CB 3.28Å; M193-C218 WeakPolarHBondContact O-CB 3.44Å; M193-V348 HydrophobicContact CE-CG1 3.73Å; M193-V348 VanDerWaalsContact CE-O 3.3Å; M193-V348 WeakPolarHBondContact CE-O 3.44Å; M193-G352 VanDerWaalsContact SD-CA 3.56Å; M193-L380 HydrophobicContact CB-CD1 4.37Å; M193-L380 HydrophobicContact CE-CD1 3.74Å; M193-L380 HydrophobicContact CG-CD1 4.47Å |
| 194 | P | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58 | -42 | 174.9 | -28.1 | 36.9 | 0 | 0 | 0 | 112.5 | Q189 G197 F198 C218 T219 Y262 | Q189-P194 VanDerWaalsContact O-CD 3.27Å; Q189-P194 WeakPolarHBondContact O-CD 3.45Å; P194-G197 PolarHBondContact O-N 3.41Å; P194-F198 WeakPolarHBondContact O-CB 3.5Å; P194-F198 PolarHBondContact O-N 3.17Å; P194-C218 WeakPolarHBondContact CD-O 3.22Å; P194-C218 WeakPolarHBondContact CG-O 3.46Å; P194-T219 HydrophobicContact CB-CG2 3.91Å; P194-T219 HydrophobicContact CG-CG2 3.86Å; P194-Y262 HydrophobicContact CB-CD2 4.14Å; P194-Y262 HydrophobicContact CB-CE2 3.38Å |
| 195 | F | 96.4 | Very high | 95.1 | Very high | 99 Ų | 99 | 39.5 Ų | 39.5 | 43% | 0.434 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64 | -45.4 | 178.2 | 179 | -110.6 | 0 | 0 | 0 | 111.6 | F191 L192 M193 F198 L199 Y262 | F191-F195 VanDerWaalsContact O-CB 3.27Å; F191-F195 WeakPolarHBondContact O-CB 3.28Å; F191-F195 PolarHBondContact O-N 3.17Å; L192-F195 PolarHBondContact O-N 2.97Å; M193-F195 VanDerWaalsContact C-N 3.29Å; M193-F195 PolarHBondContact O-N 2.98Å; F195-F198 PolarHBondContact O-N 3.13Å; F195-L199 HydrophobicContact CD1-CD1 3.95Å; F195-L199 HydrophobicContact CE1-CD1 3.34Å; F195-L199 HydrophobicContact CE1-CG 4.17Å; F195-L199 HydrophobicContact CE2-CD1 4.14Å; F195-L199 HydrophobicContact CE2-CD2 4.41Å; F195-L199 HydrophobicContact CE2-CG 4.16Å; F195-L199 HydrophobicContact CZ-CD1 3.46Å; F195-L199 VanDerWaalsContact CZ-CD1 3.46Å; F195-L199 HydrophobicContact CZ-CD2 4.32Å; F195-L199 HydrophobicContact CZ-CG 3.98Å; F195-L199 WeakPolarHBondContact O-CG 3.35Å; F195-L199 PolarHBondContact O-N 3.13Å; F195-Y262 WeakPolarHBondContact CA-OH 3.5Å; F195-Y262 WeakPolarHBondContact CB-OH 3.05Å; F195-Y262 PolarHBondContact N-OH 3.05Å; F195-Y262 VanDerWaalsContact N-OH 3.11Å |
| 196 | C | 96.2 | Very high | 94.7 | Very high | 17 Ų | 17 | 40.2 Ų | 40.2 | 12% | 0.115 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.2 | -42.4 | 174.4 | -70 | 0 | 0 | 0 | 0 | 112 | L192 M193 F198 L199 L200 L351 F355 | L192-C196 WeakPolarHBondContact O-CB 3.15Å; L192-C196 PolarHBondContact O-N 2.67Å; L192-C196 PolarHBondContact O-SG 2.95Å; M193-C196 PolarHBondContact O-N 3.35Å; C196-F198 VanDerWaalsContact C-N 3.31Å; C196-F198 PolarHBondContact O-N 2.8Å; C196-L199 PolarHBondContact O-N 3.13Å; C196-L200 VanDerWaalsContact O-CB 3.29Å; C196-L200 WeakPolarHBondContact O-CB 3.27Å; C196-L200 VanDerWaalsContact O-CG 3.22Å; C196-L200 WeakPolarHBondContact O-CG 3.36Å; C196-L200 PolarHBondContact O-N 3.43Å; C196-L351 HydrophobicContact CB-CD1 4.48Å; C196-F355 VanDerWaalsContact SG-CE2 3.55Å |
| 197 | G | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.1 | -43.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | M193 P194 S201 | M193-G197 PolarHBondContact O-N 3.28Å; P194-G197 PolarHBondContact O-N 3.41Å; G197-S201 WeakPolarHBondContact O-CB 3.5Å; G197-S201 PolarHBondContact O-N 2.8Å |
| 198 | F | 95.6 | Very high | 94 | Very high | 31 Ų | 31 | 46.7 Ų | 46.7 | 14% | 0.136 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.8 | -54.7 | 173.9 | 168.3 | -102 | 0 | 0 | 0 | 111.4 | P194 F195 C196 L200 S201 Q202 V215 Y262 I265 L266 | P194-F198 WeakPolarHBondContact O-CB 3.5Å; P194-F198 PolarHBondContact O-N 3.17Å; F195-F198 PolarHBondContact O-N 3.13Å; C196-F198 VanDerWaalsContact C-N 3.31Å; C196-F198 PolarHBondContact O-N 2.8Å; F198-L200 PolarHBondContact O-N 2.92Å; F198-S201 PolarHBondContact O-N 2.9Å; F198-S201 VanDerWaalsContact O-N 3.13Å; F198-S201 PolarHBondContact O-OG 3.34Å; F198-Q202 HydrophobicContact CD2-CG 4.37Å; F198-Q202 HydrophobicContact CE1-CG 4.36Å; F198-Q202 HydrophobicContact CE2-CG 3.88Å; F198-Q202 HydrophobicContact CZ-CG 3.87Å; F198-Q202 WeakPolarHBondContact O-CG 3.43Å; F198-Q202 PolarHBondContact O-N 2.64Å; F198-Q202 VanDerWaalsContact O-N 3.13Å; F198-V215 HydrophobicContact CB-CG2 4.11Å; F198-Y262 HydrophobicContact CB-CD1 3.54Å; F198-Y262 HydrophobicContact CB-CE1 3.45Å; F198-Y262 VanDerWaalsContact CB-CE1 3.45Å; F198-Y262 HydrophobicContact CD1-CE1 4.25Å; F198-Y262 AromaticContact CD2-CD1 3.94Å; F198-Y262 HydrophobicContact CD2-CD1 3.94Å; F198-Y262 HydrophobicContact CD2-CE1 4.43Å; F198-Y262 AromaticContact CG-CD1 3.74Å; F198-Y262 HydrophobicContact CG-CD1 3.74Å; F198-Y262 AromaticContact CG-CE1 3.79Å; F198-Y262 HydrophobicContact CG-CE1 3.79Å; F198-I265 HydrophobicContact CD2-CG2 4.3Å; F198-I265 HydrophobicContact CE1-CG2 4.09Å; F198-I265 HydrophobicContact CE2-CB 4.33Å; F198-I265 HydrophobicContact CE2-CG2 3.45Å; F198-I265 VanDerWaalsContact CE2-CG2 3.45Å; F198-I265 HydrophobicContact CZ-CG2 3.32Å; F198-L266 HydrophobicContact CD2-CD2 3.68Å; F198-L266 HydrophobicContact CD2-CG 3.94Å; F198-L266 HydrophobicContact CE2-CD2 3.61Å; F198-L266 HydrophobicContact CE2-CG 3.99Å |
| 199 | L | 95.8 | Very high | 93.6 | Very high | 68 Ų | 68 | 46.7 Ų | 46.7 | 36% | 0.356 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.4 | -45.8 | -179.2 | -74.2 | -177.2 | 0 | 0 | 0 | 112.4 | F195 C196 S201 Q202 I203 | F195-L199 HydrophobicContact CD1-CD1 3.95Å; F195-L199 HydrophobicContact CE1-CD1 3.34Å; F195-L199 HydrophobicContact CE1-CG 4.17Å; F195-L199 HydrophobicContact CE2-CD1 4.14Å; F195-L199 HydrophobicContact CE2-CD2 4.41Å; F195-L199 HydrophobicContact CE2-CG 4.16Å; F195-L199 HydrophobicContact CZ-CD1 3.46Å; F195-L199 VanDerWaalsContact CZ-CD1 3.46Å; F195-L199 HydrophobicContact CZ-CD2 4.32Å; F195-L199 HydrophobicContact CZ-CG 3.98Å; F195-L199 WeakPolarHBondContact O-CG 3.35Å; F195-L199 PolarHBondContact O-N 3.13Å; C196-L199 PolarHBondContact O-N 3.13Å; L199-S201 VanDerWaalsContact C-N 3.3Å; L199-S201 PolarHBondContact O-N 3.37Å; L199-Q202 PolarHBondContact O-N 3.34Å; L199-Q202 VanDerWaalsContact O-N 3.15Å; L199-I203 VanDerWaalsContact O-CG1 3.27Å; L199-I203 WeakPolarHBondContact O-CG1 3.45Å; L199-I203 PolarHBondContact O-N 2.91Å |
| 200 | L | 94.4 | Very high | 93.3 | Very high | 24 Ų | 24 | 47.7 Ų | 47.7 | 13% | 0.126 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.6 | -40.3 | 177.9 | -72.5 | 175.8 | 0 | 0 | 0 | 111.6 | C196 F198 Q202 I203 V204 L344 L347 V348 L351 | C196-L200 VanDerWaalsContact O-CB 3.29Å; C196-L200 WeakPolarHBondContact O-CB 3.27Å; C196-L200 VanDerWaalsContact O-CG 3.22Å; C196-L200 WeakPolarHBondContact O-CG 3.36Å; C196-L200 PolarHBondContact O-N 3.43Å; F198-L200 PolarHBondContact O-N 2.92Å; L200-Q202 PolarHBondContact O-N 3.37Å; L200-I203 PolarHBondContact O-N 2.72Å; L200-V204 WeakPolarHBondContact O-CB 3.43Å; L200-V204 WeakPolarHBondContact O-CG2 3.43Å; L200-V204 PolarHBondContact O-N 3.33Å; L200-L344 HydrophobicContact CB-CD2 3.71Å; L200-L344 HydrophobicContact CB-CG 4.16Å; L200-L347 HydrophobicContact CD1-CB 4.18Å; L200-L347 HydrophobicContact CD2-CD1 4.17Å; L200-V348 HydrophobicContact CD1-CG2 4.38Å; L200-L351 HydrophobicContact CD1-CD1 3.72Å |
| 201 | S | 93.4 | Very high | 93 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62 | -33.8 | 177.2 | 76.7 | 0 | 0 | 0 | 0 | 112.5 | G197 F198 L199 A205 L206 | G197-S201 WeakPolarHBondContact O-CB 3.5Å; G197-S201 PolarHBondContact O-N 2.8Å; F198-S201 PolarHBondContact O-N 2.9Å; F198-S201 VanDerWaalsContact O-N 3.13Å; F198-S201 PolarHBondContact O-OG 3.34Å; L199-S201 VanDerWaalsContact C-N 3.3Å; L199-S201 PolarHBondContact O-N 3.37Å; S201-A205 PolarHBondContact O-N 2.62Å; S201-L206 PolarHBondContact O-N 3.27Å |
| 202 | Q | 92.7 | Very high | 92.8 | Very high | 101 Ų | 101 | 42.1 Ų | 42.1 | 47% | 0.472 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -77.7 | -44.3 | 177.4 | -62.6 | -56.6 | -70.9 | 0 | 0 | 112 | F198 L199 L200 V204 A205 | F198-Q202 HydrophobicContact CD2-CG 4.37Å; F198-Q202 HydrophobicContact CE1-CG 4.36Å; F198-Q202 HydrophobicContact CE2-CG 3.88Å; F198-Q202 HydrophobicContact CZ-CG 3.87Å; F198-Q202 WeakPolarHBondContact O-CG 3.43Å; F198-Q202 PolarHBondContact O-N 2.64Å; F198-Q202 VanDerWaalsContact O-N 3.13Å; L199-Q202 PolarHBondContact O-N 3.34Å; L199-Q202 VanDerWaalsContact O-N 3.15Å; L200-Q202 PolarHBondContact O-N 3.37Å; Q202-V204 VanDerWaalsContact C-N 3.28Å; Q202-V204 PolarHBondContact O-N 2.88Å; Q202-A205 PolarHBondContact O-N 3.37Å; Q202-A205 VanDerWaalsContact O-N 3.09Å |
| 203 | I | 93.8 | Very high | 92.6 | Very high | 133 Ų | 133 | 40.2 Ų | 40.2 | 68% | 0.682 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -61.1 | -40.6 | -179.7 | -69.9 | 164.3 | 0 | 0 | 0 | 111.1 | L199 L200 A205 | L199-I203 VanDerWaalsContact O-CG1 3.27Å; L199-I203 WeakPolarHBondContact O-CG1 3.45Å; L199-I203 PolarHBondContact O-N 2.91Å; L200-I203 PolarHBondContact O-N 2.72Å; I203-A205 VanDerWaalsContact C-N 3.29Å |
| 204 | V | 90.8 | Very high | 92.5 | Very high | 27 Ų | 27 | 40.2 Ų | 40.2 | 16% | 0.164 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -3.1 | -179.5 | -178.1 | 0 | 0 | 0 | 0 | 111.9 | L200 Q202 L206 E340 L344 | L200-V204 WeakPolarHBondContact O-CB 3.43Å; L200-V204 WeakPolarHBondContact O-CG2 3.43Å; L200-V204 PolarHBondContact O-N 3.33Å; Q202-V204 VanDerWaalsContact C-N 3.28Å; Q202-V204 PolarHBondContact O-N 2.88Å; V204-L206 VanDerWaalsContact C-N 3.34Å; V204-L206 HydrophobicContact CG1-CG 4.5Å; V204-L206 PolarHBondContact O-N 2.84Å; V204-E340 HydrophobicContact CG1-CB 3.47Å; V204-E340 VanDerWaalsContact CG1-CB 3.47Å; V204-E340 HydrophobicContact CG1-CG 3.55Å; V204-L344 HydrophobicContact CB-CD1 3.62Å; V204-L344 HydrophobicContact CG1-CD1 3.61Å; V204-L344 HydrophobicContact CG2-CD1 3.54Å |
| 205 | A | 88.5 | Confident | 92.5 | Very high | 79 Ų | 79 | 40.2 Ų | 40.2 | 65% | 0.653 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 43.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S201 Q202 I203 | S201-A205 PolarHBondContact O-N 2.62Å; Q202-A205 PolarHBondContact O-N 3.37Å; Q202-A205 VanDerWaalsContact O-N 3.09Å; I203-A205 VanDerWaalsContact C-N 3.29Å |
| 206 | L | 85.9 | Confident | 92.4 | Very high | 15 Ų | 15 | 35.5 Ų | 35.5 | 8% | 0.079 | 19% | 0.189 | C | C | . | . | trans | -62.7 | 147.7 | 180 | -77.5 | -179.3 | 0 | 0 | 0 | 112.4 | S201 V204 A211 V214 E340 V341 L344 | S201-L206 PolarHBondContact O-N 3.27Å; V204-L206 VanDerWaalsContact C-N 3.34Å; V204-L206 HydrophobicContact CG1-CG 4.5Å; V204-L206 PolarHBondContact O-N 2.84Å; L206-A211 HydrophobicContact CB-CB 4.1Å; L206-V214 HydrophobicContact CD1-CG2 3.92Å; L206-E340 HydrophobicContact CD2-CB 3.71Å; L206-V341 HydrophobicContact CD2-CG2 3.74Å; L206-L344 HydrophobicContact CD1-CD1 4.11Å; L206-L344 HydrophobicContact CD1-CD2 3.61Å; L206-L344 HydrophobicContact CD1-CG 4.39Å; L206-L344 HydrophobicContact CG-CD1 4.43Å | ||
| 207 | H | 87.9 | Confident | 92.4 | Very high | 121 Ų | 121 | 34.7 Ų | 34.7 | 56% | 0.56 | 18% | 0.183 | S | C | * | . | trans | -59.4 | 144.4 | 170.5 | -168.1 | -87 | 0 | 0 | 0 | 111.1 | A209 Q210 A211 | H207-A209 VanDerWaalsContact C-N 3.3Å; H207-A209 PolarHBondContact O-N 3.15Å; H207-A209 VanDerWaalsContact O-N 3.08Å; H207-Q210 PolarHBondContact O-N 3.41Å; H207-A211 PolarHBondContact O-N 3.08Å | ||
| 208 | E | 89.2 | Confident | 92.4 | Very high | 101 Ų | 101 | 34.8 Ų | 34.8 | 47% | 0.472 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -46 | -48.2 | -171.6 | -67.5 | -171.8 | 175.3 | 0 | 0 | 114.3 | Q210 A211 F212 L268 F272 | E208-Q210 PolarHBondContact O-N 2.89Å; E208-A211 PolarHBondContact O-N 3.24Å; E208-F212 WeakPolarHBondContact O-CB 3.27Å; E208-F212 PolarHBondContact O-N 3.4Å; E208-L268 HydrophobicContact CB-CD1 4.46Å; E208-L268 HydrophobicContact CB-CD2 3.61Å; E208-L268 HydrophobicContact CG-CD2 3.6Å; E208-L268 VanDerWaalsContact OE2-CD2 3.24Å; E208-L268 WeakPolarHBondContact OE2-CD2 3.26Å; E208-F272 HydrophobicContact CB-CE2 4.4Å |
| 209 | A | 88.6 | Confident | 92.4 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.1 | -45.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | H207 G213 F272 L400 A401 | H207-A209 VanDerWaalsContact C-N 3.3Å; H207-A209 PolarHBondContact O-N 3.15Å; H207-A209 VanDerWaalsContact O-N 3.08Å; A209-G213 PolarHBondContact O-N 2.84Å; A209-F272 VanDerWaalsContact CA-CZ 3.49Å; A209-F272 HydrophobicContact CB-CE1 4.09Å; A209-F272 HydrophobicContact CB-CE2 4.06Å; A209-F272 HydrophobicContact CB-CZ 3.41Å; A209-F272 VanDerWaalsContact CB-CZ 3.41Å; A209-L400 HydrophobicContact CB-CB 3.69Å; A209-A401 HydrophobicContact CB-CB 4.29Å; A209-A401 VanDerWaalsContact O-CA 3.23Å; A209-A401 WeakPolarHBondContact O-CA 3.33Å; A209-A401 VanDerWaalsContact O-CB 3.23Å; A209-A401 WeakPolarHBondContact O-CB 3.44Å |
| 210 | Q | 89.6 | Confident | 92.4 | Very high | 21 Ų | 21 | 30 Ų | 30 | 10% | 0.098 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -72.6 | -42.1 | -178.5 | -65.3 | 173.6 | -17.5 | 0 | 0 | 110.8 | H207 E208 F212 G213 V214 V341 | H207-Q210 PolarHBondContact O-N 3.41Å; E208-Q210 PolarHBondContact O-N 2.89Å; Q210-F212 VanDerWaalsContact C-N 3.29Å; Q210-F212 PolarHBondContact O-N 3.48Å; Q210-G213 PolarHBondContact O-N 3.24Å; Q210-G213 VanDerWaalsContact O-N 3.1Å; Q210-V214 WeakPolarHBondContact O-CG2 3.45Å; Q210-V214 PolarHBondContact O-N 3.12Å; Q210-V341 HydrophobicContact CB-CG2 4.37Å; Q210-V341 VanDerWaalsContact CD-CG2 3.47Å; Q210-V341 HydrophobicContact CG-CG2 4.24Å; Q210-V341 VanDerWaalsContact OE1-CG2 3.3Å |
| 211 | A | 92.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 2% | 0.017 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -55.6 | -47 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | L206 H207 E208 G213 V214 V215 | L206-A211 HydrophobicContact CB-CB 4.1Å; H207-A211 PolarHBondContact O-N 3.08Å; E208-A211 PolarHBondContact O-N 3.24Å; A211-G213 PolarHBondContact O-N 2.83Å; A211-V214 PolarHBondContact O-N 3.22Å; A211-V215 WeakPolarHBondContact O-CG2 3.29Å; A211-V215 PolarHBondContact O-N 3.01Å |
| 212 | F | 91.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.009 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 175 | -174 | -98.5 | 0 | 0 | 0 | 112.4 | E208 Q210 V214 V215 M216 L268 F272 I274 F393 | E208-F212 WeakPolarHBondContact O-CB 3.27Å; E208-F212 PolarHBondContact O-N 3.4Å; Q210-F212 VanDerWaalsContact C-N 3.29Å; Q210-F212 PolarHBondContact O-N 3.48Å; F212-V214 PolarHBondContact O-N 3.23Å; F212-V215 PolarHBondContact O-N 3.35Å; F212-M216 HydrophobicContact CD1-CG 3.93Å; F212-M216 HydrophobicContact CE1-CG 3.4Å; F212-M216 VanDerWaalsContact CE1-CG 3.4Å; F212-M216 HydrophobicContact CE1-SD 4.21Å; F212-M216 HydrophobicContact CE2-CG 4.17Å; F212-M216 HydrophobicContact CE2-SD 4.37Å; F212-M216 HydrophobicContact CZ-CG 3.54Å; F212-M216 HydrophobicContact CZ-SD 3.77Å; F212-M216 WeakPolarHBondContact O-CB 3.22Å; F212-M216 WeakPolarHBondContact O-CG 3.3Å; F212-M216 PolarHBondContact O-N 2.96Å; F212-L268 HydrophobicContact CB-CD1 3.95Å; F212-L268 HydrophobicContact CD2-CD1 4.22Å; F212-L268 HydrophobicContact CG-CD1 4.48Å; F212-F272 HydrophobicContact CB-CG 4.45Å; F212-F272 HydrophobicContact CD1-CB 4.2Å; F212-F272 HydrophobicContact CD1-CD1 4.01Å; F212-F272 HydrophobicContact CD1-CG 4.37Å; F212-F272 HydrophobicContact CD2-CB 4.03Å; F212-F272 HydrophobicContact CE1-CB 4.45Å; F212-F272 HydrophobicContact CE2-CB 4.3Å; F212-F272 HydrophobicContact CG-CB 3.98Å; F212-F272 HydrophobicContact CG-CD1 4.32Å; F212-F272 HydrophobicContact CG-CG 4.26Å; F212-I274 HydrophobicContact CE1-CD1 3.59Å; F212-I274 HydrophobicContact CE1-CG1 3.89Å; F212-I274 HydrophobicContact CZ-CD1 3.55Å; F212-I274 HydrophobicContact CZ-CG1 3.67Å; F212-F393 HydrophobicContact CD1-CE2 4.3Å; F212-F393 AromaticContact CE1-CE2 3.71Å; F212-F393 HydrophobicContact CE1-CE2 3.71Å; F212-F393 AromaticContact CE1-CZ 3.92Å; F212-F393 HydrophobicContact CE1-CZ 3.92Å; F212-F393 HydrophobicContact CZ-CZ 4.34Å |
| 213 | G | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.6 | -40.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A209 Q210 A211 T217 | A209-G213 PolarHBondContact O-N 2.84Å; Q210-G213 PolarHBondContact O-N 3.24Å; Q210-G213 VanDerWaalsContact O-N 3.1Å; A211-G213 PolarHBondContact O-N 2.83Å; G213-T217 WeakPolarHBondContact O-CB 3.46Å; G213-T217 PolarHBondContact O-N 3.34Å; G213-T217 PolarHBondContact O-OG1 3.45Å |
| 214 | V | 94.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.4 | -50.9 | 174.5 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | L206 Q210 A211 F212 M216 T217 C218 L344 V348 A404 | L206-V214 HydrophobicContact CD1-CG2 3.92Å; Q210-V214 WeakPolarHBondContact O-CG2 3.45Å; Q210-V214 PolarHBondContact O-N 3.12Å; A211-V214 PolarHBondContact O-N 3.22Å; F212-V214 PolarHBondContact O-N 3.23Å; V214-M216 VanDerWaalsContact C-N 3.35Å; V214-M216 PolarHBondContact O-N 2.84Å; V214-T217 VanDerWaalsContact O-CB 3.31Å; V214-T217 WeakPolarHBondContact O-CB 3.24Å; V214-T217 PolarHBondContact O-N 3.31Å; V214-T217 VanDerWaalsContact O-N 3.12Å; V214-C218 PolarHBondContact O-N 2.89Å; V214-C218 PolarHBondContact O-SG 2.86Å; V214-L344 HydrophobicContact CB-CD2 4.48Å; V214-L344 HydrophobicContact CG1-CD2 3.88Å; V214-L344 HydrophobicContact CG2-CD2 4.03Å; V214-V348 HydrophobicContact CG1-CG2 4.27Å; V214-A404 HydrophobicContact CB-CB 4.42Å; V214-A404 HydrophobicContact CG2-CB 3.55Å |
| 215 | V | 95.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.006 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59 | -47.9 | 179.7 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | F198 A211 F212 T217 C218 T219 Y262 L266 | F198-V215 HydrophobicContact CB-CG2 4.11Å; A211-V215 WeakPolarHBondContact O-CG2 3.29Å; A211-V215 PolarHBondContact O-N 3.01Å; F212-V215 PolarHBondContact O-N 3.35Å; V215-T217 VanDerWaalsContact C-N 3.25Å; V215-T217 PolarHBondContact O-N 3.23Å; V215-C218 CarbonylContact O-C 3.58Å; V215-C218 WeakPolarHBondContact O-CA 3.21Å; V215-C218 WeakPolarHBondContact O-CB 3.44Å; V215-C218 PolarHBondContact O-N 3.28Å; V215-T219 HydrophobicContact CG1-CG2 4.39Å; V215-T219 WeakPolarHBondContact O-CG2 3.23Å; V215-T219 PolarHBondContact O-N 3.37Å; V215-Y262 HydrophobicContact CG1-CD1 4.43Å; V215-Y262 HydrophobicContact CG1-CD2 4.02Å; V215-Y262 HydrophobicContact CG1-CG 3.75Å; V215-L266 HydrophobicContact CG2-CD1 4.19Å |
| 216 | M | 94.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.5 | -40.1 | 177.2 | -77.4 | -56.6 | -54.3 | 0 | 0 | 112.1 | F212 V214 C218 T219 C220 M255 S259 I274 A385 I388 I389 | F212-M216 HydrophobicContact CD1-CG 3.93Å; F212-M216 HydrophobicContact CE1-CG 3.4Å; F212-M216 VanDerWaalsContact CE1-CG 3.4Å; F212-M216 HydrophobicContact CE1-SD 4.21Å; F212-M216 HydrophobicContact CE2-CG 4.17Å; F212-M216 HydrophobicContact CE2-SD 4.37Å; F212-M216 HydrophobicContact CZ-CG 3.54Å; F212-M216 HydrophobicContact CZ-SD 3.77Å; F212-M216 WeakPolarHBondContact O-CB 3.22Å; F212-M216 WeakPolarHBondContact O-CG 3.3Å; F212-M216 PolarHBondContact O-N 2.96Å; V214-M216 VanDerWaalsContact C-N 3.35Å; V214-M216 PolarHBondContact O-N 2.84Å; M216-C218 VanDerWaalsContact C-N 3.35Å; M216-T219 PolarHBondContact O-N 3.29Å; M216-T219 PolarHBondContact O-OG1 3.41Å; M216-C220 PolarHBondContact O-N 3.41Å; M216-C220 PolarHBondContact O-SG 3.42Å; M216-M255 HydrophobicContact CE-CE 4.14Å; M216-S259 PolarHBondContact SD-OG 3.02Å; M216-I274 HydrophobicContact CE-CD1 3.71Å; M216-I274 HydrophobicContact CG-CD1 4.12Å; M216-I274 HydrophobicContact SD-CD1 3.77Å; M216-A385 HydrophobicContact CB-CB 4.41Å; M216-I388 HydrophobicContact CE-CG2 4.17Å; M216-I389 HydrophobicContact CB-CD1 4.21Å |
| 217 | T | 95.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.6 | -45.5 | 173.7 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | G213 V214 V215 T219 C220 L380 S382 P405 V408 | G213-T217 WeakPolarHBondContact O-CB 3.46Å; G213-T217 PolarHBondContact O-N 3.34Å; G213-T217 PolarHBondContact O-OG1 3.45Å; V214-T217 VanDerWaalsContact O-CB 3.31Å; V214-T217 WeakPolarHBondContact O-CB 3.24Å; V214-T217 PolarHBondContact O-N 3.31Å; V214-T217 VanDerWaalsContact O-N 3.12Å; V215-T217 VanDerWaalsContact C-N 3.25Å; V215-T217 PolarHBondContact O-N 3.23Å; T217-T219 PolarHBondContact O-N 2.94Å; T217-C220 WeakPolarHBondContact O-CB 3.26Å; T217-C220 PolarHBondContact O-N 3.17Å; T217-C220 VanDerWaalsContact O-N 3.13Å; T217-L380 WeakPolarHBondContact O-CD1 3.43Å; T217-S382 WeakPolarHBondContact CG2-OG 3.39Å; T217-P405 WeakPolarHBondContact OG1-CA 3.35Å; T217-P405 VanDerWaalsContact OG1-CB 3.25Å; T217-P405 WeakPolarHBondContact OG1-CB 3.34Å; T217-V408 HydrophobicContact CG2-CB 4Å; T217-V408 HydrophobicContact CG2-CG1 3.72Å; T217-V408 HydrophobicContact CG2-CG2 4.27Å |
| 218 | C | 96.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 11.3 Ų | 11.3 | 1% | 0.007 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -66.7 | -19.5 | 178.2 | -71.6 | 0 | 0 | 0 | 0 | 114.2 | M193 P194 V214 V215 M216 | M193-C218 HydrophobicContact CB-CB 4.4Å; M193-C218 WeakPolarHBondContact CB-O 3.46Å; M193-C218 VanDerWaalsContact O-CB 3.28Å; M193-C218 WeakPolarHBondContact O-CB 3.44Å; P194-C218 WeakPolarHBondContact CD-O 3.22Å; P194-C218 WeakPolarHBondContact CG-O 3.46Å; V214-C218 PolarHBondContact O-N 2.89Å; V214-C218 PolarHBondContact O-SG 2.86Å; V215-C218 CarbonylContact O-C 3.58Å; V215-C218 WeakPolarHBondContact O-CA 3.21Å; V215-C218 WeakPolarHBondContact O-CB 3.44Å; V215-C218 PolarHBondContact O-N 3.28Å; M216-C218 VanDerWaalsContact C-N 3.35Å |
| 219 | T | 95.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -9.4 | 174 | 66.3 | 0 | 0 | 0 | 0 | 114.1 | F190 P194 V215 M216 T217 M255 N258 | F190-T219 WeakPolarHBondContact CE1-O 3.27Å; P194-T219 HydrophobicContact CB-CG2 3.91Å; P194-T219 HydrophobicContact CG-CG2 3.86Å; V215-T219 HydrophobicContact CG1-CG2 4.39Å; V215-T219 WeakPolarHBondContact O-CG2 3.23Å; V215-T219 PolarHBondContact O-N 3.37Å; M216-T219 PolarHBondContact O-N 3.29Å; M216-T219 PolarHBondContact O-OG1 3.41Å; T217-T219 PolarHBondContact O-N 2.94Å; T219-M255 VanDerWaalsContact O-CG 3.23Å; T219-M255 WeakPolarHBondContact O-CG 3.24Å; T219-N258 HydrophobicContact CG2-CB 3.41Å; T219-N258 VanDerWaalsContact CG2-CB 3.41Å |
| 220 | C | 95.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 5% | 0.049 | C | C | . | . | S | Bend | trans | -70.5 | 149.4 | -177.6 | -75.9 | 0 | 0 | 0 | 0 | 112.4 | M216 T217 M255 N381 A385 | M216-C220 PolarHBondContact O-N 3.41Å; M216-C220 PolarHBondContact O-SG 3.42Å; T217-C220 WeakPolarHBondContact O-CB 3.26Å; T217-C220 PolarHBondContact O-N 3.17Å; T217-C220 VanDerWaalsContact O-N 3.13Å; C220-M255 VanDerWaalsContact SG-CE 3.56Å; C220-N381 HydrophobicContact CB-CB 4.21Å; C220-N381 PolarHBondContact SG-O 2.94Å; C220-N381 VanDerWaalsContact SG-O 3.38Å; C220-A385 VanDerWaalsContact SG-CB 3.56Å; C220-A385 PolarHBondContact SG-N 3.38Å |
| 221 | P | 95 | Very high | 89.8 | Confident | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 7% | 0.069 | C | C | . | . | trans | -63.3 | 174.2 | 166.4 | 30 | -36.6 | 0 | 0 | 0 | 111.5 | F190 A251 N381 L384 | F190-P221 HydrophobicContact CZ-CB 4.07Å; P221-A251 HydrophobicContact CB-CB 4.18Å; P221-A251 HydrophobicContact CG-CB 3.89Å; P221-N381 WeakPolarHBondContact O-CB 3.37Å; P221-N381 PolarHBondContact O-N 2.87Å; P221-L384 HydrophobicContact CG-CD2 3.92Å | ||
| 222 | G | 89.1 | Confident | 89.7 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | B | Isolated β-bridge | trans | -51.4 | 143.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | S247 | G222-S247 PolarHBondContact N-OG 2.72Å |
| 223 | G | 81.9 | Confident | 89.7 | Confident | 8 Ų | 8 | 14.1 Ų | 14.1 | 8% | 0.082 | 9% | 0.086 | C | C | . | . | trans | -79.4 | 141.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G225 G226 M379 | G223-G225 PolarHBondContact O-N 3.34Å; G223-G226 PolarHBondContact O-N 3.46Å; G223-M379 WeakPolarHBondContact CA-O 3.44Å; G223-M379 PolarHBondContact N-O 3.01Å | ||
| 224 | G | 67.8 | Low | 89.8 | Confident | 30 Ų | 30 | 17.5 Ų | 17.5 | 31% | 0.309 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y227 | G224-Y227 WeakPolarHBondContact O-CE1 3.32Š|
| 225 | G | 74.5 | Confident | 89.7 | Confident | 24 Ų | 24 | 18.1 Ų | 18.1 | 25% | 0.247 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -15.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G223 Y227 L228 F229 | G223-G225 PolarHBondContact O-N 3.34Å; G225-Y227 VanDerWaalsContact C-N 3.32Å; G225-Y227 PolarHBondContact O-N 3.34Å; G225-L228 WeakPolarHBondContact O-CB 3.28Å; G225-L228 PolarHBondContact O-N 2.97Å; G225-F229 VanDerWaalsContact O-CD2 3.27Å; G225-F229 WeakPolarHBondContact O-CD2 3.47Å; G225-F229 PolarHBondContact O-N 2.87Å |
| 226 | G | 85.4 | Confident | 89.6 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -56.5 | -40.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G223 L228 F229 A230 I375 E376 | G223-G226 PolarHBondContact O-N 3.46Å; G226-L228 VanDerWaalsContact C-N 3.26Å; G226-L228 PolarHBondContact O-N 3.41Å; G226-F229 PolarHBondContact O-N 2.94Å; G226-F229 VanDerWaalsContact O-N 3.12Å; G226-A230 PolarHBondContact O-N 2.89Å; G226-I375 WeakPolarHBondContact O-CG2 3.28Å; G226-E376 WeakPolarHBondContact CA-OE1 3.48Å |
| 227 | Y | 87.6 | Confident | 89.3 | Confident | 33 Ų | 33 | 25.5 Ų | 25.5 | 13% | 0.129 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.8 | -32.1 | 177.2 | 74.6 | -94.5 | 0 | 0 | 0 | 114.2 | F163 K166 G224 G225 L231 I241 | F163-Y227 HydrophobicContact CD2-CD1 4.18Å; F163-Y227 AromaticContact CD2-CE1 3.68Å; F163-Y227 HydrophobicContact CD2-CE1 3.68Å; F163-Y227 AromaticContact CE2-CD1 3.61Å; F163-Y227 HydrophobicContact CE2-CD1 3.61Å; F163-Y227 AromaticContact CE2-CE1 3.62Å; F163-Y227 HydrophobicContact CE2-CE1 3.62Å; K166-Y227 PolarHBondContact NZ-OH 3.29Å; G224-Y227 WeakPolarHBondContact O-CE1 3.32Å; G225-Y227 VanDerWaalsContact C-N 3.32Å; G225-Y227 PolarHBondContact O-N 3.34Å; Y227-L231 WeakPolarHBondContact O-CB 3.47Å; Y227-L231 PolarHBondContact O-N 3.27Å; Y227-I241 HydrophobicContact CG-CG1 4.14Å |
| 228 | L | 86.8 | Confident | 89 | Confident | 13 Ų | 13 | 27.8 Ų | 27.8 | 7% | 0.068 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -73.6 | -40.5 | 178.2 | 178.7 | 65.3 | 0 | 0 | 0 | 110.2 | G225 G226 A230 L231 L232 F316 M319 | G225-L228 WeakPolarHBondContact O-CB 3.28Å; G225-L228 PolarHBondContact O-N 2.97Å; G226-L228 VanDerWaalsContact C-N 3.26Å; G226-L228 PolarHBondContact O-N 3.41Å; L228-A230 VanDerWaalsContact C-N 3.34Å; L228-L231 HydrophobicContact CD1-CD2 4.47Å; L228-L231 WeakPolarHBondContact O-CB 3.37Å; L228-L231 PolarHBondContact O-N 2.98Å; L228-L232 HydrophobicContact CD1-CD1 4.48Å; L228-L232 HydrophobicContact CD1-CG 4.47Å; L228-L232 HydrophobicContact CG-CD1 4.13Å; L228-L232 WeakPolarHBondContact O-CB 3.4Å; L228-L232 VanDerWaalsContact O-CG 3.28Å; L228-L232 WeakPolarHBondContact O-CG 3.32Å; L228-L232 PolarHBondContact O-N 3.39Å; L228-F316 HydrophobicContact CD1-CE1 3.73Å; L228-F316 HydrophobicContact CD1-CZ 3.49Å; L228-F316 VanDerWaalsContact CD1-CZ 3.49Å; L228-F316 HydrophobicContact CD2-CD1 4.04Å; L228-F316 HydrophobicContact CD2-CE1 3.47Å; L228-F316 VanDerWaalsContact CD2-CE1 3.47Å; L228-F316 HydrophobicContact CD2-CZ 4.03Å; L228-F316 HydrophobicContact CG-CE1 4.23Å; L228-F316 HydrophobicContact CG-CZ 4.42Å; L228-M319 HydrophobicContact CD2-CE 3.55Å; L228-M319 HydrophobicContact CD2-SD 3.51Å; L228-M319 VanDerWaalsContact CD2-SD 3.51Å |
| 229 | F | 89.6 | Confident | 88.8 | Confident | 11 Ų | 11 | 28.6 Ų | 28.6 | 5% | 0.048 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.5 | -40.3 | 173.1 | -68.7 | -74.5 | 0 | 0 | 0 | 111.4 | G225 G226 L231 L232 L233 I375 M379 M416 I420 | G225-F229 VanDerWaalsContact O-CD2 3.27Å; G225-F229 WeakPolarHBondContact O-CD2 3.47Å; G225-F229 PolarHBondContact O-N 2.87Å; G226-F229 PolarHBondContact O-N 2.94Å; G226-F229 VanDerWaalsContact O-N 3.12Å; F229-L231 VanDerWaalsContact C-N 3.33Å; F229-L231 PolarHBondContact O-N 3.47Å; F229-L232 PolarHBondContact O-N 3.42Å; F229-L233 VanDerWaalsContact O-CB 3.32Å; F229-L233 WeakPolarHBondContact O-CB 3.26Å; F229-L233 WeakPolarHBondContact O-CG 3.35Å; F229-L233 PolarHBondContact O-N 3.33Å; F229-I375 HydrophobicContact CB-CG2 4.02Å; F229-M379 HydrophobicContact CB-SD 4.22Å; F229-M379 HydrophobicContact CD2-CE 3.71Å; F229-M379 HydrophobicContact CD2-SD 3.24Å; F229-M379 WeakPolarHBondContact CD2-SD 3.32Å; F229-M379 HydrophobicContact CE2-CE 3.55Å; F229-M379 HydrophobicContact CE2-SD 3.77Å; F229-M379 HydrophobicContact CG-SD 3.88Å; F229-M379 HydrophobicContact CZ-CE 4.42Å; F229-M416 HydrophobicContact CB-SD 4.37Å; F229-M416 HydrophobicContact CD1-CB 3.56Å; F229-M416 HydrophobicContact CD1-CG 4.04Å; F229-M416 HydrophobicContact CD1-SD 4.43Å; F229-M416 HydrophobicContact CD2-CG 4.37Å; F229-M416 HydrophobicContact CE1-CB 3.41Å; F229-M416 VanDerWaalsContact CE1-CB 3.41Å; F229-M416 HydrophobicContact CE1-CG 4.19Å; F229-M416 HydrophobicContact CE2-CB 4.44Å; F229-M416 HydrophobicContact CE2-CG 4.49Å; F229-M416 HydrophobicContact CG-CB 4.17Å; F229-M416 HydrophobicContact CG-CG 4.15Å; F229-M416 HydrophobicContact CG-SD 4.34Å; F229-M416 HydrophobicContact CZ-CB 3.88Å; F229-M416 HydrophobicContact CZ-CG 4.4Å; F229-I420 HydrophobicContact CD1-CD1 3.44Å; F229-I420 VanDerWaalsContact CD1-CD1 3.44Å; F229-I420 HydrophobicContact CD1-CG1 4.44Å; F229-I420 HydrophobicContact CE1-CD1 3.66Å |
| 230 | A | 92.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.1 | -46 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | G226 L228 L233 D234 G235 A240 I375 | G226-A230 PolarHBondContact O-N 2.89Å; L228-A230 VanDerWaalsContact C-N 3.34Å; A230-L233 PolarHBondContact O-N 2.88Å; A230-D234 PolarHBondContact O-N 3.5Å; A230-G235 WeakPolarHBondContact O-CA 3.43Å; A230-G235 PolarHBondContact O-N 3.18Å; A230-A240 HydrophobicContact CB-CB 3.95Å; A230-I375 HydrophobicContact CB-CD1 4.16Å |
| 231 | L | 89.9 | Confident | 88.4 | Confident | 99 Ų | 99 | 29.2 Ų | 29.2 | 52% | 0.518 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.6 | -45.9 | 174.9 | -179 | 66 | 0 | 0 | 0 | 112.4 | Y227 L228 F229 L233 D234 F237 | Y227-L231 WeakPolarHBondContact O-CB 3.47Å; Y227-L231 PolarHBondContact O-N 3.27Å; L228-L231 HydrophobicContact CD1-CD2 4.47Å; L228-L231 WeakPolarHBondContact O-CB 3.37Å; L228-L231 PolarHBondContact O-N 2.98Å; F229-L231 VanDerWaalsContact C-N 3.33Å; F229-L231 PolarHBondContact O-N 3.47Å; L231-L233 VanDerWaalsContact C-N 3.27Å; L231-L233 PolarHBondContact O-N 2.82Å; L231-D234 PolarHBondContact O-N 2.84Å; L231-F237 HydrophobicContact CB-CB 4.3Å; L231-F237 HydrophobicContact CD1-CB 4.46Å; L231-F237 HydrophobicContact CD1-CD1 4.47Å |
| 232 | L | 90.3 | Very high | 88.1 | Confident | 65 Ų | 65 | 29.5 Ų | 29.5 | 34% | 0.34 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -68.9 | -23.6 | -178.1 | -71.6 | 172.5 | 0 | 0 | 0 | 113.7 | L228 F229 I420 | L228-L232 HydrophobicContact CD1-CD1 4.48Å; L228-L232 HydrophobicContact CD1-CG 4.47Å; L228-L232 HydrophobicContact CG-CD1 4.13Å; L228-L232 WeakPolarHBondContact O-CB 3.4Å; L228-L232 VanDerWaalsContact O-CG 3.28Å; L228-L232 WeakPolarHBondContact O-CG 3.32Å; L228-L232 PolarHBondContact O-N 3.39Å; F229-L232 PolarHBondContact O-N 3.42Å; L232-I420 HydrophobicContact CB-CD1 4.13Å; L232-I420 HydrophobicContact CB-CG1 4.38Å; L232-I420 HydrophobicContact CD1-CD1 3.75Å |
| 233 | L | 93.6 | Very high | 88.3 | Confident | 10 Ų | 10 | 29.7 Ų | 29.7 | 5% | 0.052 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 15 | -179 | -67 | 172.4 | 0 | 0 | 0 | 113.2 | F229 A230 L231 G235 K371 I375 I419 I420 Y423 | F229-L233 VanDerWaalsContact O-CB 3.32Å; F229-L233 WeakPolarHBondContact O-CB 3.26Å; F229-L233 WeakPolarHBondContact O-CG 3.35Å; F229-L233 PolarHBondContact O-N 3.33Å; A230-L233 PolarHBondContact O-N 2.88Å; L231-L233 VanDerWaalsContact C-N 3.27Å; L231-L233 PolarHBondContact O-N 2.82Å; L233-G235 VanDerWaalsContact C-N 3.28Å; L233-G235 PolarHBondContact O-N 3.18Å; L233-K371 WeakPolarHBondContact O-CD 3.49Å; L233-K371 PolarHBondContact O-NZ 3.47Å; L233-I375 HydrophobicContact CB-CD1 4.4Å; L233-I375 HydrophobicContact CD1-CD1 3.8Å; L233-I375 HydrophobicContact CD1-CG1 4.47Å; L233-I419 HydrophobicContact CD1-CG2 3.81Å; L233-I419 HydrophobicContact CD2-CG2 3.97Å; L233-I420 HydrophobicContact CD1-CG1 4.45Å; L233-I420 HydrophobicContact CD2-CB 4.45Å; L233-I420 HydrophobicContact CD2-CG1 3.81Å; L233-I420 HydrophobicContact CG-CG1 4.04Å; L233-Y423 HydrophobicContact CD2-CD1 3.9Å; L233-Y423 HydrophobicContact CD2-CG 3.8Å |
| 234 | D | 93.8 | Very high | 88.8 | Confident | 71 Ų | 71 | 29.5 Ų | 29.5 | 38% | 0.38 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 43.1 | -176.6 | -55.5 | -48.5 | 0 | 0 | 0 | 112.2 | A230 L231 Y423 K427 | A230-D234 PolarHBondContact O-N 3.5Å; L231-D234 PolarHBondContact O-N 2.84Å; D234-Y423 WeakPolarHBondContact CB-OH 3.4Å; D234-Y423 VanDerWaalsContact OD2-CE1 3.32Å; D234-Y423 WeakPolarHBondContact OD2-CE1 3.42Å; D234-Y423 PolarHBondContact OD2-OH 2.7Å; D234-K427 IonicContact OD1-NZ 2.8Å; D234-K427 IonicContact OD2-NZ 2.82Å; D234-K427 PolarHBondContact OD2-NZ 3.39Å |
| 235 | G | 93.9 | Very high | 89.8 | Confident | 14 Ų | 14 | 28.2 Ų | 28.2 | 14% | 0.144 | 15% | 0.153 | C | C | . | . | trans | -92.7 | 175.9 | 169 | 0 | 0 | 0 | 0 | 0 | 112.3 | A230 L233 F237 P368 | A230-G235 WeakPolarHBondContact O-CA 3.43Å; A230-G235 PolarHBondContact O-N 3.18Å; L233-G235 VanDerWaalsContact C-N 3.28Å; L233-G235 PolarHBondContact O-N 3.18Å; G235-F237 PolarHBondContact O-N 3.46Å; G235-P368 WeakPolarHBondContact CA-O 3.3Å | ||
| 236 | D | 93.1 | Very high | 90.6 | Very high | 57 Ų | 57 | 28.7 Ų | 28.7 | 31% | 0.305 | 15% | 0.151 | S | C | . | . | trans | -79.6 | 98.3 | 172.7 | -171.6 | -25.8 | 0 | 0 | 0 | 110.1 | T238 L239 A240 P368 T372 | D236-T238 VanDerWaalsContact C-N 3.28Å; D236-T238 PolarHBondContact O-N 3.32Å; D236-T238 WeakPolarHBondContact OD1-CB 3.48Å; D236-T238 PolarHBondContact OD1-N 3.28Å; D236-L239 HydrophobicContact CB-CB 3.86Å; D236-L239 VanDerWaalsContact CG-CB 3.45Å; D236-L239 PolarHBondContact OD1-N 3.41Å; D236-A240 PolarHBondContact O-N 3.38Å; D236-A240 VanDerWaalsContact O-N 3.1Å; D236-P368 PolarHBondContact N-O 3.04Å; D236-T372 WeakPolarHBondContact CA-OG1 3.41Å; D236-T372 PolarHBondContact N-OG1 2.94Å; D236-T372 WeakPolarHBondContact O-CG2 3.49Å; D236-T372 PolarHBondContact O-OG1 3.46Å | ||
| 237 | F | 89 | Confident | 91 | Very high | 100 Ų | 100 | 28.8 Ų | 28.8 | 44% | 0.439 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -66.8 | -30.4 | -180 | 81.1 | -90.1 | 0 | 0 | 0 | 112.6 | L231 G235 A240 I241 | L231-F237 HydrophobicContact CB-CB 4.3Å; L231-F237 HydrophobicContact CD1-CB 4.46Å; L231-F237 HydrophobicContact CD1-CD1 4.47Å; G235-F237 PolarHBondContact O-N 3.46Å; F237-A240 PolarHBondContact O-N 3.07Å; F237-I241 HydrophobicContact CD2-CD1 4.09Å; F237-I241 WeakPolarHBondContact O-CG1 3.47Å; F237-I241 PolarHBondContact O-N 3.38Å; F237-I241 VanDerWaalsContact O-N 3.17Å |
| 238 | T | 89.3 | Confident | 91.2 | Very high | 47 Ų | 47 | 28 Ų | 28 | 29% | 0.288 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -71.5 | -43.2 | -178 | -65.7 | 0 | 0 | 0 | 0 | 109.3 | V171 D236 A240 I241 L242 | V171-T238 HydrophobicContact CB-CG2 4.39Å; V171-T238 HydrophobicContact CG1-CG2 3.17Å; V171-T238 HydrophobicContact CG2-CG2 4.32Å; D236-T238 VanDerWaalsContact C-N 3.28Å; D236-T238 PolarHBondContact O-N 3.32Å; D236-T238 WeakPolarHBondContact OD1-CB 3.48Å; D236-T238 PolarHBondContact OD1-N 3.28Å; T238-A240 VanDerWaalsContact C-N 3.34Å; T238-A240 PolarHBondContact O-N 3.44Å; T238-I241 PolarHBondContact O-N 2.89Å; T238-L242 WeakPolarHBondContact O-CG 3.46Å; T238-L242 PolarHBondContact O-N 2.96Å; T238-L242 VanDerWaalsContact O-N 3.16Å |
| 239 | L | 91.7 | Very high | 91.5 | Very high | 18 Ų | 18 | 31.6 Ų | 31.6 | 9% | 0.094 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.6 | -40.6 | 171.6 | 178.2 | 64 | 0 | 0 | 0 | 112 | P181 V182 D236 I241 L242 M243 V369 T372 | P181-L239 HydrophobicContact CB-CD1 4.12Å; P181-L239 HydrophobicContact CB-CD2 3.84Å; P181-L239 HydrophobicContact CG-CD2 4.35Å; V182-L239 HydrophobicContact CG2-CD1 4.17Å; D236-L239 HydrophobicContact CB-CB 3.86Å; D236-L239 VanDerWaalsContact CG-CB 3.45Å; D236-L239 PolarHBondContact OD1-N 3.41Å; L239-I241 PolarHBondContact O-N 3.45Å; L239-L242 WeakPolarHBondContact O-CB 3.35Å; L239-L242 PolarHBondContact O-N 3.43Å; L239-M243 HydrophobicContact CD1-CG 3.99Å; L239-M243 HydrophobicContact CD1-SD 4.16Å; L239-M243 HydrophobicContact CD2-SD 4.28Å; L239-M243 HydrophobicContact CG-CG 4.18Å; L239-M243 HydrophobicContact CG-SD 3.89Å; L239-M243 WeakPolarHBondContact O-CB 3.44Å; L239-M243 WeakPolarHBondContact O-CG 3.29Å; L239-M243 PolarHBondContact O-N 2.83Å; L239-V369 HydrophobicContact CD2-CB 4.24Å; L239-V369 HydrophobicContact CD2-CG1 3.66Å; L239-V369 HydrophobicContact CD2-CG2 4.18Å; L239-T372 HydrophobicContact CB-CG2 4.04Å; L239-T372 HydrophobicContact CD2-CG2 3.94Å; L239-T372 HydrophobicContact CG-CG2 3.85Å |
| 240 | A | 92.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.2 | -49 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | A230 D236 F237 T238 L242 M243 T244 T372 E376 | A230-A240 HydrophobicContact CB-CB 3.95Å; D236-A240 PolarHBondContact O-N 3.38Å; D236-A240 VanDerWaalsContact O-N 3.1Å; F237-A240 PolarHBondContact O-N 3.07Å; T238-A240 VanDerWaalsContact C-N 3.34Å; T238-A240 PolarHBondContact O-N 3.44Å; A240-L242 VanDerWaalsContact C-N 3.31Å; A240-L242 PolarHBondContact O-N 2.86Å; A240-M243 PolarHBondContact O-N 3.47Å; A240-T244 PolarHBondContact O-N 2.94Å; A240-T244 PolarHBondContact O-OG1 3.21Å; A240-T372 HydrophobicContact CB-CG2 3.7Å; A240-E376 HydrophobicContact CB-CG 4.25Å |
| 241 | I | 89.1 | Confident | 91.8 | Very high | 13 Ų | 13 | 34.1 Ų | 34.1 | 7% | 0.067 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.1 | -43.7 | 177 | -67.5 | 169.3 | 0 | 0 | 0 | 111.4 | F163 K166 I167 Y227 F237 T238 L239 C245 | F163-I241 HydrophobicContact CE2-CG1 4.42Å; F163-I241 HydrophobicContact CZ-CG2 4.23Å; K166-I241 HydrophobicContact CB-CD1 4.37Å; I167-I241 HydrophobicContact CD1-CG2 4.19Å; I167-I241 HydrophobicContact CG1-CG2 3.56Å; Y227-I241 HydrophobicContact CG-CG1 4.14Å; F237-I241 HydrophobicContact CD2-CD1 4.09Å; F237-I241 WeakPolarHBondContact O-CG1 3.47Å; F237-I241 PolarHBondContact O-N 3.38Å; F237-I241 VanDerWaalsContact O-N 3.17Å; T238-I241 PolarHBondContact O-N 2.89Å; L239-I241 PolarHBondContact O-N 3.45Å; I241-C245 VanDerWaalsContact O-CB 3.26Å; I241-C245 WeakPolarHBondContact O-CB 3.23Å; I241-C245 PolarHBondContact O-N 3.5Å |
| 242 | L | 90.1 | Very high | 92.1 | Very high | 7 Ų | 7 | 31.7 Ų | 31.7 | 4% | 0.037 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.9 | -44.9 | 177.2 | -74.5 | 171.7 | 0 | 0 | 0 | 112.2 | V171 F172 V175 T238 L239 A240 C245 T246 | V171-L242 HydrophobicContact CB-CD1 4.49Å; V171-L242 HydrophobicContact CB-CD2 4.38Å; V171-L242 HydrophobicContact CG1-CD1 3.43Å; V171-L242 VanDerWaalsContact CG1-CD1 3.43Å; V171-L242 HydrophobicContact CG1-CD2 4.08Å; V171-L242 HydrophobicContact CG1-CG 3.89Å; F172-L242 HydrophobicContact CD1-CD2 4.11Å; F172-L242 HydrophobicContact CD2-CD2 4.25Å; F172-L242 HydrophobicContact CE1-CD2 4.24Å; F172-L242 HydrophobicContact CE2-CD2 4.39Å; F172-L242 HydrophobicContact CG-CD2 4.13Å; F172-L242 HydrophobicContact CZ-CD2 4.39Å; V175-L242 HydrophobicContact CG2-CB 4.15Å; V175-L242 HydrophobicContact CG2-CD1 3.54Å; V175-L242 HydrophobicContact CG2-CD2 3.91Å; V175-L242 HydrophobicContact CG2-CG 4.08Å; T238-L242 WeakPolarHBondContact O-CG 3.46Å; T238-L242 PolarHBondContact O-N 2.96Å; T238-L242 VanDerWaalsContact O-N 3.16Å; L239-L242 WeakPolarHBondContact O-CB 3.35Å; L239-L242 PolarHBondContact O-N 3.43Å; A240-L242 VanDerWaalsContact C-N 3.31Å; A240-L242 PolarHBondContact O-N 2.86Å; L242-C245 PolarHBondContact O-N 3.1Å; L242-T246 WeakPolarHBondContact O-CB 3.39Å; L242-T246 VanDerWaalsContact O-CG2 3.28Å; L242-T246 WeakPolarHBondContact O-CG2 3.42Å; L242-T246 PolarHBondContact O-N 3.49Å; L242-T246 PolarHBondContact O-OG1 2.92Å |
| 243 | M | 92.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.7 | -46.1 | 178.1 | -72.4 | -178.5 | 71.3 | 0 | 0 | 111.4 | P181 V182 L239 A240 C245 T246 S247 T372 V373 E376 | P181-M243 WeakPolarHBondContact O-CE 3.39Å; V182-M243 HydrophobicContact CG2-CG 4.11Å; L239-M243 HydrophobicContact CD1-CG 3.99Å; L239-M243 HydrophobicContact CD1-SD 4.16Å; L239-M243 HydrophobicContact CD2-SD 4.28Å; L239-M243 HydrophobicContact CG-CG 4.18Å; L239-M243 HydrophobicContact CG-SD 3.89Å; L239-M243 WeakPolarHBondContact O-CB 3.44Å; L239-M243 WeakPolarHBondContact O-CG 3.29Å; L239-M243 PolarHBondContact O-N 2.83Å; A240-M243 PolarHBondContact O-N 3.47Å; M243-C245 VanDerWaalsContact C-N 3.34Å; M243-C245 PolarHBondContact O-N 3.49Å; M243-T246 WeakPolarHBondContact CA-OG1 3.29Å; M243-T246 PolarHBondContact O-OG1 2.86Å; M243-T246 VanDerWaalsContact O-OG1 3.09Å; M243-S247 VanDerWaalsContact O-CB 3.24Å; M243-S247 WeakPolarHBondContact O-CB 3.46Å; M243-S247 PolarHBondContact O-N 3.42Å; M243-S247 PolarHBondContact O-OG 3.13Å; M243-T372 HydrophobicContact SD-CG2 4.12Å; M243-V373 HydrophobicContact CE-CB 4.37Å; M243-V373 HydrophobicContact CE-CG1 4.32Å; M243-V373 HydrophobicContact CE-CG2 4.07Å; M243-V373 HydrophobicContact SD-CG2 4.01Å; M243-E376 HydrophobicContact CB-CB 4.39Å; M243-E376 HydrophobicContact CB-CG 4.01Å; M243-E376 HydrophobicContact CE-CB 3.98Å; M243-E376 HydrophobicContact SD-CB 4.38Å; M243-E376 HydrophobicContact SD-CG 4.31Å |
| 244 | T | 91.7 | Very high | 92.4 | Very high | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.9 | -45.5 | 175 | -48 | 0 | 0 | 0 | 0 | 111.2 | F163 A240 S247 T248 E376 | F163-T244 HydrophobicContact CZ-CG2 4.22Å; A240-T244 PolarHBondContact O-N 2.94Å; A240-T244 PolarHBondContact O-OG1 3.21Å; T244-S247 WeakPolarHBondContact CA-OG 3.49Å; T244-S247 PolarHBondContact O-OG 3.47Å; T244-T248 WeakPolarHBondContact O-CB 3.07Å; T244-T248 PolarHBondContact O-N 3.48Å; T244-T248 PolarHBondContact O-OG1 3.48Å; T244-E376 PolarHBondContact N-OE2 3.36Å; T244-E376 VanDerWaalsContact OG1-CD 3.28Å; T244-E376 PolarHBondContact OG1-OE1 2.72Å; T244-E376 PolarHBondContact OG1-OE2 3.37Å |
| 245 | C | 89.8 | Confident | 92.5 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.02 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.8 | -51.9 | -178.3 | -172.8 | 0 | 0 | 0 | 0 | 111.6 | I167 I241 L242 M243 S247 T248 F249 | I167-C245 HydrophobicContact CD1-CB 4.01Å; I241-C245 VanDerWaalsContact O-CB 3.26Å; I241-C245 WeakPolarHBondContact O-CB 3.23Å; I241-C245 PolarHBondContact O-N 3.5Å; L242-C245 PolarHBondContact O-N 3.1Å; M243-C245 VanDerWaalsContact C-N 3.34Å; M243-C245 PolarHBondContact O-N 3.49Å; C245-S247 PolarHBondContact O-N 3.02Å; C245-T248 PolarHBondContact O-N 3.01Å; C245-F249 VanDerWaalsContact O-CD2 3.31Å; C245-F249 WeakPolarHBondContact O-CD2 3.23Å; C245-F249 PolarHBondContact O-N 3.38Å; C245-F249 VanDerWaalsContact O-N 3.08Å |
| 246 | T | 90.7 | Very high | 92.5 | Very high | 33 Ų | 33 | 31.7 Ų | 31.7 | 20% | 0.202 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.4 | -43.5 | 179.5 | 50.7 | 0 | 0 | 0 | 0 | 112.1 | F172 V182 L242 M243 T248 F249 L250 | F172-T246 HydrophobicContact CE1-CG2 3.94Å; V182-T246 HydrophobicContact CG1-CG2 4.21Å; V182-T246 WeakPolarHBondContact CG1-OG1 3.3Å; L242-T246 WeakPolarHBondContact O-CB 3.39Å; L242-T246 VanDerWaalsContact O-CG2 3.28Å; L242-T246 WeakPolarHBondContact O-CG2 3.42Å; L242-T246 PolarHBondContact O-N 3.49Å; L242-T246 PolarHBondContact O-OG1 2.92Å; M243-T246 WeakPolarHBondContact CA-OG1 3.29Å; M243-T246 PolarHBondContact O-OG1 2.86Å; M243-T246 VanDerWaalsContact O-OG1 3.09Å; T246-T248 VanDerWaalsContact C-N 3.35Å; T246-T248 PolarHBondContact O-N 2.94Å; T246-F249 PolarHBondContact O-N 3.26Å; T246-L250 WeakPolarHBondContact O-CB 3.23Å; T246-L250 PolarHBondContact O-N 3.06Å |
| 247 | S | 93.8 | Very high | 92.5 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.3 | -37.9 | 174.8 | 58.9 | 0 | 0 | 0 | 0 | 112.3 | Q189 F190 G222 M243 T244 C245 F249 L250 A251 | Q189-S247 PolarHBondContact OE1-OG 3.19Å; F190-S247 VanDerWaalsContact CZ-O 3.3Å; F190-S247 WeakPolarHBondContact CZ-O 3.32Å; G222-S247 PolarHBondContact N-OG 2.72Å; M243-S247 VanDerWaalsContact O-CB 3.24Å; M243-S247 WeakPolarHBondContact O-CB 3.46Å; M243-S247 PolarHBondContact O-N 3.42Å; M243-S247 PolarHBondContact O-OG 3.13Å; T244-S247 WeakPolarHBondContact CA-OG 3.49Å; T244-S247 PolarHBondContact O-OG 3.47Å; C245-S247 PolarHBondContact O-N 3.02Å; S247-F249 VanDerWaalsContact C-N 3.34Å; S247-F249 PolarHBondContact O-N 3.13Å; S247-L250 CarbonylContact O-C 3.51Å; S247-L250 PolarHBondContact O-N 3.33Å; S247-A251 WeakPolarHBondContact O-CB 3.46Å; S247-A251 PolarHBondContact O-N 2.98Å |
| 248 | T | 92.3 | Very high | 92.8 | Very high | 17 Ų | 17 | 27.9 Ų | 27.9 | 10% | 0.104 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.2 | -37.9 | 176.8 | -55.4 | 0 | 0 | 0 | 0 | 112 | T244 C245 T246 A251 L287 | T244-T248 WeakPolarHBondContact O-CB 3.07Å; T244-T248 PolarHBondContact O-N 3.48Å; T244-T248 PolarHBondContact O-OG1 3.48Å; C245-T248 PolarHBondContact O-N 3.01Å; T246-T248 VanDerWaalsContact C-N 3.35Å; T246-T248 PolarHBondContact O-N 2.94Å; T248-A251 WeakPolarHBondContact O-CB 3.29Å; T248-L287 HydrophobicContact CG2-CD2 3.66Å; T248-L287 HydrophobicContact CG2-CG 3.94Å |
| 249 | F | 91.8 | Very high | 92.9 | Very high | 87 Ų | 87 | 25.9 Ų | 25.9 | 38% | 0.382 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -66.9 | -44.6 | 171.5 | -82 | -75.4 | 0 | 0 | 0 | 111.8 | C245 T246 S247 A251 L252 L287 | C245-F249 VanDerWaalsContact O-CD2 3.31Å; C245-F249 WeakPolarHBondContact O-CD2 3.23Å; C245-F249 PolarHBondContact O-N 3.38Å; C245-F249 VanDerWaalsContact O-N 3.08Å; T246-F249 PolarHBondContact O-N 3.26Å; S247-F249 VanDerWaalsContact C-N 3.34Å; S247-F249 PolarHBondContact O-N 3.13Å; F249-A251 PolarHBondContact O-N 2.9Å; F249-L252 WeakPolarHBondContact O-CB 3.46Å; F249-L252 PolarHBondContact O-N 3.42Å; F249-L287 HydrophobicContact CD1-CD1 4.43Å; F249-L287 HydrophobicContact CD1-CD2 3.99Å; F249-L287 HydrophobicContact CD2-CD2 4.16Å; F249-L287 HydrophobicContact CE1-CD2 3.88Å; F249-L287 HydrophobicContact CE2-CD2 4.04Å; F249-L287 HydrophobicContact CG-CD2 4.13Å; F249-L287 HydrophobicContact CZ-CD2 3.9Å |
| 250 | L | 94.4 | Very high | 92.9 | Very high | 64 Ų | 64 | 31.9 Ų | 31.9 | 34% | 0.335 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.2 | -30.7 | 178.9 | -176 | 57.8 | 0 | 0 | 0 | 112.4 | A186 F190 T246 S247 L252 I253 M254 | A186-L250 HydrophobicContact CB-CD2 3.71Å; F190-L250 HydrophobicContact CD2-CD2 3.62Å; F190-L250 HydrophobicContact CD2-CG 4.01Å; F190-L250 HydrophobicContact CE2-CB 3.98Å; F190-L250 HydrophobicContact CE2-CD2 3.7Å; F190-L250 HydrophobicContact CE2-CG 3.84Å; F190-L250 HydrophobicContact CZ-CB 4.47Å; T246-L250 WeakPolarHBondContact O-CB 3.23Å; T246-L250 PolarHBondContact O-N 3.06Å; S247-L250 CarbonylContact O-C 3.51Å; S247-L250 PolarHBondContact O-N 3.33Å; L250-L252 PolarHBondContact O-N 2.84Å; L250-I253 PolarHBondContact O-N 3.31Å; L250-I253 VanDerWaalsContact O-N 3.11Å; L250-M254 HydrophobicContact CD1-CG 3.71Å; L250-M254 HydrophobicContact CD1-SD 4.46Å; L250-M254 HydrophobicContact CD2-CG 4.31Å; L250-M254 HydrophobicContact CG-CG 3.61Å; L250-M254 WeakPolarHBondContact O-CG 3.31Å; L250-M254 PolarHBondContact O-N 3.04Å |
| 251 | A | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.9 | -27 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | F190 P221 S247 T248 F249 I253 M255 P256 L283 | F190-A251 HydrophobicContact CE1-CB 4.01Å; F190-A251 HydrophobicContact CZ-CB 3.91Å; P221-A251 HydrophobicContact CB-CB 4.18Å; P221-A251 HydrophobicContact CG-CB 3.89Å; S247-A251 WeakPolarHBondContact O-CB 3.46Å; S247-A251 PolarHBondContact O-N 2.98Å; T248-A251 WeakPolarHBondContact O-CB 3.29Å; F249-A251 PolarHBondContact O-N 2.9Å; A251-I253 PolarHBondContact O-N 3.16Å; A251-I253 VanDerWaalsContact O-N 3.15Å; A251-M255 HydrophobicContact CB-CG 3.9Å; A251-M255 HydrophobicContact CB-SD 3.92Å; A251-M255 VanDerWaalsContact O-CB 3.26Å; A251-M255 WeakPolarHBondContact O-CB 3.26Å; A251-M255 PolarHBondContact O-N 3.46Å; A251-P256 WeakPolarHBondContact O-CD 3.29Å; A251-L283 HydrophobicContact CB-CD1 4.12Å; A251-L283 HydrophobicContact CB-CD2 3.9Å; A251-L283 WeakPolarHBondContact O-CD1 3.28Å |
| 252 | L | 94.5 | Very high | 93 | Very high | 48 Ų | 48 | 35.6 Ų | 35.6 | 25% | 0.251 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -56 | -31.5 | 176.1 | -74.6 | 172.6 | 0 | 0 | 0 | 112.7 | F249 L250 P256 V280 L283 L284 L287 | F249-L252 WeakPolarHBondContact O-CB 3.46Å; F249-L252 PolarHBondContact O-N 3.42Å; L250-L252 PolarHBondContact O-N 2.84Å; L252-P256 WeakPolarHBondContact O-CD 3.35Å; L252-P256 WeakPolarHBondContact O-CG 3.29Å; L252-V280 HydrophobicContact CD2-CG1 4.43Å; L252-L283 HydrophobicContact CD2-CB 3.65Å; L252-L283 HydrophobicContact CD2-CD1 4.08Å; L252-L283 HydrophobicContact CD2-CG 4.5Å; L252-L284 HydrophobicContact CD2-CD2 4.48Å; L252-L284 HydrophobicContact CD2-CG 4.45Å; L252-L287 HydrophobicContact CD1-CD1 3.61Å; L252-L287 HydrophobicContact CD2-CD1 3.9Å; L252-L287 HydrophobicContact CG-CD1 3.72Å |
| 253 | I | 94.9 | Very high | 92.9 | Very high | 115 Ų | 115 | 35.6 Ų | 35.6 | 59% | 0.59 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -102.1 | -47.9 | 179.9 | -58.2 | 173.5 | 0 | 0 | 0 | 109.8 | L250 A251 P256 V257 | L250-I253 PolarHBondContact O-N 3.31Å; L250-I253 VanDerWaalsContact O-N 3.11Å; A251-I253 PolarHBondContact O-N 3.16Å; A251-I253 VanDerWaalsContact O-N 3.15Å; I253-P256 WeakPolarHBondContact O-CD 3.43Å; I253-V257 HydrophobicContact CG2-CG2 4.48Å; I253-V257 VanDerWaalsContact O-CG2 3.23Å; I253-V257 WeakPolarHBondContact O-CG2 3.45Å; I253-V257 PolarHBondContact O-N 3.28Å |
| 254 | M | 96.2 | Very high | 92.7 | Very high | 30 Ų | 30 | 41.6 Ų | 41.6 | 15% | 0.148 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -72.2 | -33.7 | -171 | -61.6 | -58.4 | -87.8 | 0 | 0 | 113.3 | F190 F191 L250 N258 | F190-M254 HydrophobicContact CB-CB 3.98Å; F190-M254 HydrophobicContact CB-CE 3.76Å; F190-M254 HydrophobicContact CB-CG 4.13Å; F190-M254 HydrophobicContact CD1-CB 3.45Å; F190-M254 VanDerWaalsContact CD1-CB 3.45Å; F190-M254 HydrophobicContact CD1-CG 4.24Å; F190-M254 HydrophobicContact CD2-CB 4.33Å; F190-M254 HydrophobicContact CD2-CG 4.26Å; F190-M254 HydrophobicContact CE1-CB 3.97Å; F190-M254 HydrophobicContact CG-CB 3.65Å; F190-M254 HydrophobicContact CG-CG 3.95Å; F191-M254 HydrophobicContact CD2-CE 4.13Å; F191-M254 HydrophobicContact CE1-CE 4.1Å; F191-M254 HydrophobicContact CE2-CE 3.33Å; F191-M254 HydrophobicContact CZ-CE 3.32Å; L250-M254 HydrophobicContact CD1-CG 3.71Å; L250-M254 HydrophobicContact CD1-SD 4.46Å; L250-M254 HydrophobicContact CD2-CG 4.31Å; L250-M254 HydrophobicContact CG-CG 3.61Å; L250-M254 WeakPolarHBondContact O-CG 3.31Å; L250-M254 PolarHBondContact O-N 3.04Å; M254-N258 VanDerWaalsContact O-CB 3.31Å; M254-N258 WeakPolarHBondContact O-CB 3.27Å; M254-N258 PolarHBondContact O-N 3.21Å; M254-N258 PolarHBondContact O-ND2 3Å |
| 255 | M | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.4 | -49.1 | 178.8 | -72.5 | -173.1 | 72.5 | 0 | 0 | 112.5 | F190 M216 T219 C220 A251 V257 N258 S259 I279 L283 L384 I388 | F190-M255 HydrophobicContact CE1-CG 4.41Å; M216-M255 HydrophobicContact CE-CE 4.14Å; T219-M255 VanDerWaalsContact O-CG 3.23Å; T219-M255 WeakPolarHBondContact O-CG 3.24Å; C220-M255 VanDerWaalsContact SG-CE 3.56Å; A251-M255 HydrophobicContact CB-CG 3.9Å; A251-M255 HydrophobicContact CB-SD 3.92Å; A251-M255 VanDerWaalsContact O-CB 3.26Å; A251-M255 WeakPolarHBondContact O-CB 3.26Å; A251-M255 PolarHBondContact O-N 3.46Å; M255-V257 VanDerWaalsContact C-N 3.32Å; M255-V257 PolarHBondContact O-N 3.12Å; M255-N258 PolarHBondContact O-N 2.85Å; M255-S259 VanDerWaalsContact O-CB 3.23Å; M255-S259 WeakPolarHBondContact O-CB 3.42Å; M255-S259 PolarHBondContact O-N 2.94Å; M255-I279 HydrophobicContact CB-CG2 3.84Å; M255-L283 HydrophobicContact SD-CD1 4.15Å; M255-L283 HydrophobicContact SD-CD2 4.27Å; M255-L384 HydrophobicContact SD-CD2 3.99Å; M255-I388 HydrophobicContact CE-CD1 3.47Å; M255-I388 VanDerWaalsContact CE-CD1 3.47Å; M255-I388 HydrophobicContact SD-CD1 4.41Å |
| 256 | P | 93.7 | Very high | 92.4 | Very high | 15 Ų | 15 | 47.1 Ų | 47.1 | 10% | 0.097 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.8 | -43.2 | 173.9 | -27 | 35.3 | 0 | 0 | 0 | 113.3 | A251 L252 I253 S259 Y260 V276 I279 V280 | A251-P256 WeakPolarHBondContact O-CD 3.29Å; L252-P256 WeakPolarHBondContact O-CD 3.35Å; L252-P256 WeakPolarHBondContact O-CG 3.29Å; I253-P256 WeakPolarHBondContact O-CD 3.43Å; P256-S259 PolarHBondContact O-N 3.01Å; P256-Y260 WeakPolarHBondContact O-CB 3.27Å; P256-Y260 PolarHBondContact O-N 2.92Å; P256-V276 HydrophobicContact CB-CG1 3.94Å; P256-V276 HydrophobicContact CB-CG2 4.27Å; P256-V276 HydrophobicContact CG-CG1 4.14Å; P256-I279 HydrophobicContact CG-CB 4.3Å; P256-I279 HydrophobicContact CG-CD1 4.49Å; P256-I279 HydrophobicContact CG-CG2 3.84Å; P256-V280 HydrophobicContact CG-CG2 4.29Å |
| 257 | V | 94.7 | Very high | 92 | Very high | 68 Ų | 68 | 48.6 Ų | 48.6 | 41% | 0.412 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.8 | -50.5 | 179.3 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | I253 M255 S259 Y260 I261 | I253-V257 HydrophobicContact CG2-CG2 4.48Å; I253-V257 VanDerWaalsContact O-CG2 3.23Å; I253-V257 WeakPolarHBondContact O-CG2 3.45Å; I253-V257 PolarHBondContact O-N 3.28Å; M255-V257 VanDerWaalsContact C-N 3.32Å; M255-V257 PolarHBondContact O-N 3.12Å; V257-S259 PolarHBondContact O-N 3.03Å; V257-Y260 PolarHBondContact O-N 2.95Å; V257-I261 HydrophobicContact CG1-CD1 3.72Å; V257-I261 VanDerWaalsContact O-CG1 3.3Å; V257-I261 WeakPolarHBondContact O-CG1 3.31Å; V257-I261 PolarHBondContact O-N 3.09Å |
| 258 | N | 94.8 | Very high | 91.4 | Very high | 10 Ų | 10 | 48.6 Ų | 48.6 | 5% | 0.053 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 178.3 | -78.6 | -36.3 | 0 | 0 | 0 | 112.1 | F190 T219 M254 M255 Y260 I261 Y262 | F190-N258 PolarHBondContact O-ND2 3.32Å; T219-N258 HydrophobicContact CG2-CB 3.41Å; T219-N258 VanDerWaalsContact CG2-CB 3.41Å; M254-N258 VanDerWaalsContact O-CB 3.31Å; M254-N258 WeakPolarHBondContact O-CB 3.27Å; M254-N258 PolarHBondContact O-N 3.21Å; M254-N258 PolarHBondContact O-ND2 3Å; M255-N258 PolarHBondContact O-N 2.85Å; N258-Y260 VanDerWaalsContact C-N 3.3Å; N258-Y260 PolarHBondContact O-N 3.01Å; N258-I261 PolarHBondContact O-N 3.27Å; N258-Y262 HydrophobicContact CB-CD2 4.22Å; N258-Y262 HydrophobicContact CB-CE2 4.4Å; N258-Y262 VanDerWaalsContact O-CD2 3.25Å; N258-Y262 WeakPolarHBondContact O-CD2 3.38Å; N258-Y262 PolarHBondContact O-N 3.34Å |
| 259 | S | 91.8 | Very high | 90.1 | Very high | 5 Ų | 5 | 50.8 Ų | 50.8 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58 | -45 | 177.2 | -172.7 | 0 | 0 | 0 | 0 | 111.2 | M216 M255 P256 V257 S263 | M216-S259 PolarHBondContact SD-OG 3.02Å; M255-S259 VanDerWaalsContact O-CB 3.23Å; M255-S259 WeakPolarHBondContact O-CB 3.42Å; M255-S259 PolarHBondContact O-N 2.94Å; P256-S259 PolarHBondContact O-N 3.01Å; V257-S259 PolarHBondContact O-N 3.03Å; S259-S263 WeakPolarHBondContact O-CB 3.29Å; S259-S263 PolarHBondContact O-N 3.02Å |
| 260 | Y | 91.2 | Very high | 88.8 | Confident | 144 Ų | 144 | 50.4 Ų | 50.4 | 57% | 0.565 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.5 | -49.6 | 176.2 | 177.6 | -99.6 | 0 | 0 | 0 | 112.4 | P256 V257 N258 K264 | P256-Y260 WeakPolarHBondContact O-CB 3.27Å; P256-Y260 PolarHBondContact O-N 2.92Å; V257-Y260 PolarHBondContact O-N 2.95Å; N258-Y260 VanDerWaalsContact C-N 3.3Å; N258-Y260 PolarHBondContact O-N 3.01Å; Y260-K264 WeakPolarHBondContact O-CB 3.36Å; Y260-K264 PolarHBondContact O-N 3Å |
| 261 | I | 93 | Very high | 87.6 | Confident | 70 Ų | 70 | 50.1 Ų | 50.1 | 36% | 0.359 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.4 | -54 | -178.6 | -70.3 | 168.9 | 0 | 0 | 0 | 110.6 | V257 N258 K264 I265 | V257-I261 HydrophobicContact CG1-CD1 3.72Å; V257-I261 VanDerWaalsContact O-CG1 3.3Å; V257-I261 WeakPolarHBondContact O-CG1 3.31Å; V257-I261 PolarHBondContact O-N 3.09Å; N258-I261 PolarHBondContact O-N 3.27Å; I261-K264 WeakPolarHBondContact O-CB 3.43Å; I261-K264 PolarHBondContact O-N 3.4Å; I261-I265 HydrophobicContact CG2-CD1 3.57Å; I261-I265 HydrophobicContact CG2-CG1 4.4Å; I261-I265 VanDerWaalsContact O-CG1 3.31Å; I261-I265 WeakPolarHBondContact O-CG1 3.36Å; I261-I265 PolarHBondContact O-N 3.38Å |
| 262 | Y | 91.4 | Very high | 86.6 | Confident | 21 Ų | 21 | 50.7 Ų | 50.7 | 8% | 0.082 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -76.2 | -30.1 | -173.6 | -72.2 | -74.5 | 0 | 0 | 0 | 113.4 | P194 F195 F198 V215 N258 K264 I265 L266 | P194-Y262 HydrophobicContact CB-CD2 4.14Å; P194-Y262 HydrophobicContact CB-CE2 3.38Å; F195-Y262 WeakPolarHBondContact CA-OH 3.5Å; F195-Y262 WeakPolarHBondContact CB-OH 3.05Å; F195-Y262 PolarHBondContact N-OH 3.05Å; F195-Y262 VanDerWaalsContact N-OH 3.11Å; F198-Y262 HydrophobicContact CB-CD1 3.54Å; F198-Y262 HydrophobicContact CB-CE1 3.45Å; F198-Y262 VanDerWaalsContact CB-CE1 3.45Å; F198-Y262 HydrophobicContact CD1-CE1 4.25Å; F198-Y262 AromaticContact CD2-CD1 3.94Å; F198-Y262 HydrophobicContact CD2-CD1 3.94Å; F198-Y262 HydrophobicContact CD2-CE1 4.43Å; F198-Y262 AromaticContact CG-CD1 3.74Å; F198-Y262 HydrophobicContact CG-CD1 3.74Å; F198-Y262 AromaticContact CG-CE1 3.79Å; F198-Y262 HydrophobicContact CG-CE1 3.79Å; V215-Y262 HydrophobicContact CG1-CD1 4.43Å; V215-Y262 HydrophobicContact CG1-CD2 4.02Å; V215-Y262 HydrophobicContact CG1-CG 3.75Å; N258-Y262 HydrophobicContact CB-CD2 4.22Å; N258-Y262 HydrophobicContact CB-CE2 4.4Å; N258-Y262 VanDerWaalsContact O-CD2 3.25Å; N258-Y262 WeakPolarHBondContact O-CD2 3.38Å; N258-Y262 PolarHBondContact O-N 3.34Å; Y262-K264 PolarHBondContact O-N 3.5Å; Y262-I265 HydrophobicContact CD1-CD1 4.41Å; Y262-I265 PolarHBondContact O-N 3.22Å; Y262-L266 VanDerWaalsContact O-CB 3.29Å; Y262-L266 WeakPolarHBondContact O-CB 3.46Å; Y262-L266 VanDerWaalsContact O-CG 3.27Å; Y262-L266 WeakPolarHBondContact O-CG 3.44Å; Y262-L266 PolarHBondContact O-N 2.92Å |
| 263 | S | 87.8 | Confident | 85.9 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.9 | -39.2 | 169.5 | 177 | 0 | 0 | 0 | 0 | 110.9 | S259 G267 L268 F272 | S259-S263 WeakPolarHBondContact O-CB 3.29Å; S259-S263 PolarHBondContact O-N 3.02Å; S263-G267 PolarHBondContact O-N 3.04Å; S263-L268 PolarHBondContact O-N 3.43Å; S263-F272 PolarHBondContact OG-O 3.05Å |
| 264 | K | 88.9 | Confident | 85.3 | Confident | 130 Ų | 130 | 48.2 Ų | 48.2 | 57% | 0.565 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -70.6 | -45.3 | 176.4 | -168.6 | 176.6 | -177.5 | 178.8 | 0 | 113.1 | Y260 I261 Y262 L266 G267 S269 | Y260-K264 WeakPolarHBondContact O-CB 3.36Å; Y260-K264 PolarHBondContact O-N 3Å; I261-K264 WeakPolarHBondContact O-CB 3.43Å; I261-K264 PolarHBondContact O-N 3.4Å; Y262-K264 PolarHBondContact O-N 3.5Å; K264-L266 VanDerWaalsContact C-N 3.3Å; K264-L266 PolarHBondContact O-N 3.46Å; K264-G267 PolarHBondContact O-N 2.9Å; K264-G267 VanDerWaalsContact O-N 3.07Å; K264-S269 VanDerWaalsContact CA-OG 3.32Å; K264-S269 WeakPolarHBondContact CA-OG 3.42Å |
| 265 | I | 88.6 | Confident | 84.8 | Confident | 97 Ų | 97 | 48.8 Ų | 48.8 | 50% | 0.497 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.6 | -36.9 | 179.8 | -64.7 | 169.7 | 0 | 0 | 0 | 111.2 | F198 I261 Y262 G267 | F198-I265 HydrophobicContact CD2-CG2 4.3Å; F198-I265 HydrophobicContact CE1-CG2 4.09Å; F198-I265 HydrophobicContact CE2-CB 4.33Å; F198-I265 HydrophobicContact CE2-CG2 3.45Å; F198-I265 VanDerWaalsContact CE2-CG2 3.45Å; F198-I265 HydrophobicContact CZ-CG2 3.32Å; I261-I265 HydrophobicContact CG2-CD1 3.57Å; I261-I265 HydrophobicContact CG2-CG1 4.4Å; I261-I265 VanDerWaalsContact O-CG1 3.31Å; I261-I265 WeakPolarHBondContact O-CG1 3.36Å; I261-I265 PolarHBondContact O-N 3.38Å; Y262-I265 HydrophobicContact CD1-CD1 4.41Å; Y262-I265 PolarHBondContact O-N 3.22Å; I265-G267 PolarHBondContact O-N 3.19Å |
| 266 | L | 86.1 | Confident | 84.6 | Confident | 27 Ų | 27 | 52.6 Ų | 52.6 | 14% | 0.141 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -3.7 | 175.7 | -71.2 | 168.7 | 0 | 0 | 0 | 113.7 | F198 V215 Y262 K264 L268 | F198-L266 HydrophobicContact CD2-CD2 3.68Å; F198-L266 HydrophobicContact CD2-CG 3.94Å; F198-L266 HydrophobicContact CE2-CD2 3.61Å; F198-L266 HydrophobicContact CE2-CG 3.99Å; V215-L266 HydrophobicContact CG2-CD1 4.19Å; Y262-L266 VanDerWaalsContact O-CB 3.29Å; Y262-L266 WeakPolarHBondContact O-CB 3.46Å; Y262-L266 VanDerWaalsContact O-CG 3.27Å; Y262-L266 WeakPolarHBondContact O-CG 3.44Å; Y262-L266 PolarHBondContact O-N 2.92Å; K264-L266 VanDerWaalsContact C-N 3.3Å; K264-L266 PolarHBondContact O-N 3.46Å; L266-L268 HydrophobicContact CB-CB 4.48Å; L266-L268 HydrophobicContact CB-CD1 3.7Å; L266-L268 HydrophobicContact CB-CG 3.69Å; L266-L268 HydrophobicContact CD1-CD1 3.92Å; L266-L268 HydrophobicContact CG-CD1 4.43Å; L266-L268 PolarHBondContact O-N 3.26Å |
| 267 | G | 82.5 | Confident | 84.4 | Confident | 64 Ų | 64 | 55.2 Ų | 55.2 | 66% | 0.66 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 14.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S263 K264 I265 | S263-G267 PolarHBondContact O-N 3.04Å; K264-G267 PolarHBondContact O-N 2.9Å; K264-G267 VanDerWaalsContact O-N 3.07Å; I265-G267 PolarHBondContact O-N 3.19Å |
| 268 | L | 79.7 | Confident | 84.2 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | trans | -95.9 | 11.2 | -171.8 | -55.7 | 176.8 | 0 | 0 | 0 | 113.9 | E208 F212 S263 L266 G270 T271 F272 | E208-L268 HydrophobicContact CB-CD1 4.46Å; E208-L268 HydrophobicContact CB-CD2 3.61Å; E208-L268 HydrophobicContact CG-CD2 3.6Å; E208-L268 VanDerWaalsContact OE2-CD2 3.24Å; E208-L268 WeakPolarHBondContact OE2-CD2 3.26Å; F212-L268 HydrophobicContact CB-CD1 3.95Å; F212-L268 HydrophobicContact CD2-CD1 4.22Å; F212-L268 HydrophobicContact CG-CD1 4.48Å; S263-L268 PolarHBondContact O-N 3.43Å; L266-L268 HydrophobicContact CB-CB 4.48Å; L266-L268 HydrophobicContact CB-CD1 3.7Å; L266-L268 HydrophobicContact CB-CG 3.69Å; L266-L268 HydrophobicContact CD1-CD1 3.92Å; L266-L268 HydrophobicContact CG-CD1 4.43Å; L266-L268 PolarHBondContact O-N 3.26Å; L268-G270 PolarHBondContact O-N 2.84Å; L268-T271 PolarHBondContact O-N 3Å; L268-T271 PolarHBondContact O-OG1 3.47Å; L268-F272 HydrophobicContact CB-CB 4.09Å; L268-F272 HydrophobicContact CD1-CB 4.39Å; L268-F272 HydrophobicContact CD1-CD2 4.29Å; L268-F272 HydrophobicContact CD2-CD2 4.35Å; L268-F272 CarbonylContact O-C 3.47Å; L268-F272 PolarHBondContact O-N 3.18Å | ||
| 269 | S | 66.2 | Low | 84 | Confident | 63 Ų | 63 | 53.5 Ų | 53.5 | 44% | 0.441 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -22.7 | -173.1 | -57.1 | 0 | 0 | 0 | 0 | 114.3 | K264 | K264-S269 VanDerWaalsContact CA-OG 3.32Å; K264-S269 WeakPolarHBondContact CA-OG 3.42Å |
| 270 | G | 63.9 | Low | 84 | Confident | 79 Ų | 79 | 55.3 Ų | 55.3 | 81% | 0.814 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -20.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L268 | L268-G270 PolarHBondContact O-N 2.84Š|
| 271 | T | 68.9 | Low | 84 | Confident | 59 Ų | 59 | 51.8 Ų | 51.8 | 36% | 0.362 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -38.7 | -170.7 | 49.6 | 0 | 0 | 0 | 0 | 113.6 | L268 K397 | L268-T271 PolarHBondContact O-N 3Å; L268-T271 PolarHBondContact O-OG1 3.47Å; T271-K397 PolarHBondContact O-NZ 3.37Å |
| 272 | F | 73.9 | Confident | 83.9 | Confident | 11 Ų | 11 | 49 Ų | 49 | 5% | 0.048 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -127.1 | 71.6 | 177.8 | -70.5 | -87.6 | 0 | 0 | 0 | 110.7 | E208 A209 F212 S263 L268 F393 K397 A401 | E208-F272 HydrophobicContact CB-CE2 4.4Å; A209-F272 VanDerWaalsContact CA-CZ 3.49Å; A209-F272 HydrophobicContact CB-CE1 4.09Å; A209-F272 HydrophobicContact CB-CE2 4.06Å; A209-F272 HydrophobicContact CB-CZ 3.41Å; A209-F272 VanDerWaalsContact CB-CZ 3.41Å; F212-F272 HydrophobicContact CB-CG 4.45Å; F212-F272 HydrophobicContact CD1-CB 4.2Å; F212-F272 HydrophobicContact CD1-CD1 4.01Å; F212-F272 HydrophobicContact CD1-CG 4.37Å; F212-F272 HydrophobicContact CD2-CB 4.03Å; F212-F272 HydrophobicContact CE1-CB 4.45Å; F212-F272 HydrophobicContact CE2-CB 4.3Å; F212-F272 HydrophobicContact CG-CB 3.98Å; F212-F272 HydrophobicContact CG-CD1 4.32Å; F212-F272 HydrophobicContact CG-CG 4.26Å; S263-F272 PolarHBondContact OG-O 3.05Å; L268-F272 HydrophobicContact CB-CB 4.09Å; L268-F272 HydrophobicContact CD1-CB 4.39Å; L268-F272 HydrophobicContact CD1-CD2 4.29Å; L268-F272 HydrophobicContact CD2-CD2 4.35Å; L268-F272 CarbonylContact O-C 3.47Å; L268-F272 PolarHBondContact O-N 3.18Å; F272-F393 HydrophobicContact CB-CE1 4.31Å; F272-F393 HydrophobicContact CB-CZ 4.02Å; F272-F393 HydrophobicContact CD1-CD1 4.41Å; F272-F393 HydrophobicContact CD1-CD2 4.36Å; F272-F393 HydrophobicContact CD1-CE1 4.03Å; F272-F393 AromaticContact CD1-CE2 3.95Å; F272-F393 HydrophobicContact CD1-CE2 3.95Å; F272-F393 AromaticContact CD1-CZ 3.76Å; F272-F393 HydrophobicContact CD1-CZ 3.76Å; F272-F393 HydrophobicContact CG-CZ 4.37Å; F272-K397 HydrophobicContact CE1-CB 4.18Å; F272-K397 HydrophobicContact CZ-CB 4.37Å; F272-A401 HydrophobicContact CE1-CB 4.19Å |
| 273 | H | 80.2 | Confident | 83.9 | Confident | 106 Ų | 106 | 48 Ų | 48 | 49% | 0.491 | 30% | 0.304 | S | S | . | . | trans | -102.8 | 113.2 | 169.8 | 177.6 | -87.9 | 0 | 0 | 0 | 109.7 | ||||
| 274 | I | 82.4 | Confident | 84.1 | Confident | 6 Ų | 6 | 51.6 Ų | 51.6 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | trans | -84.3 | 124.9 | 173 | -63.6 | -178 | 0 | 0 | 0 | 109.2 | F212 M216 V276 N278 I279 I388 S392 F393 | F212-I274 HydrophobicContact CE1-CD1 3.59Å; F212-I274 HydrophobicContact CE1-CG1 3.89Å; F212-I274 HydrophobicContact CZ-CD1 3.55Å; F212-I274 HydrophobicContact CZ-CG1 3.67Å; M216-I274 HydrophobicContact CE-CD1 3.71Å; M216-I274 HydrophobicContact CG-CD1 4.12Å; M216-I274 HydrophobicContact SD-CD1 3.77Å; I274-V276 PolarHBondContact O-N 3.45Å; I274-N278 HydrophobicContact CG2-CB 4.48Å; I274-I279 HydrophobicContact CB-CD1 4.23Å; I274-I279 HydrophobicContact CG2-CD1 3.71Å; I274-I279 HydrophobicContact CG2-CG1 3.5Å; I274-I388 HydrophobicContact CD1-CG2 3.69Å; I274-I388 HydrophobicContact CG2-CG2 3.98Å; I274-S392 WeakPolarHBondContact CG2-OG 3.27Å; I274-F393 HydrophobicContact CD1-CE2 4.11Å; I274-F393 HydrophobicContact CD1-CZ 4.41Å; I274-F393 HydrophobicContact CG1-CE2 3.6Å; I274-F393 HydrophobicContact CG1-CZ 3.47Å; I274-F393 VanDerWaalsContact CG1-CZ 3.47Å | ||
| 275 | P | 86.6 | Confident | 84.2 | Confident | 42 Ų | 42 | 49.8 Ų | 49.8 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | trans | -58.8 | 128.3 | 169.8 | -21.8 | 33.5 | 0 | 0 | 0 | 110.9 | S277 N278 I279 | P275-S277 WeakPolarHBondContact CB-OG 3.33Å; P275-S277 PolarHBondContact O-N 3.26Å; P275-S277 VanDerWaalsContact O-N 3.13Å; P275-N278 HydrophobicContact CB-CB 4.48Å; P275-N278 WeakPolarHBondContact O-CB 3.1Å; P275-N278 PolarHBondContact O-N 2.93Å; P275-I279 PolarHBondContact O-N 3.21Å | ||
| 276 | V | 89.7 | Confident | 84.1 | Confident | 79 Ų | 79 | 46.4 Ų | 46.4 | 48% | 0.479 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -54.1 | -35.9 | 176.6 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | P256 I274 N278 I279 V280 | P256-V276 HydrophobicContact CB-CG1 3.94Å; P256-V276 HydrophobicContact CB-CG2 4.27Å; P256-V276 HydrophobicContact CG-CG1 4.14Å; I274-V276 PolarHBondContact O-N 3.45Å; V276-N278 PolarHBondContact O-N 3.1Å; V276-I279 PolarHBondContact O-N 3.01Å; V276-V280 HydrophobicContact CG1-CG2 4.01Å; V276-V280 WeakPolarHBondContact O-CG2 3.47Å; V276-V280 PolarHBondContact O-N 3.5Å |
| 277 | S | 89.8 | Confident | 84.3 | Confident | 70 Ų | 70 | 45.4 Ų | 45.4 | 49% | 0.49 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -54.9 | -38.3 | 175.1 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | P275 S281 | P275-S277 WeakPolarHBondContact CB-OG 3.33Å; P275-S277 PolarHBondContact O-N 3.26Å; P275-S277 VanDerWaalsContact O-N 3.13Å; S277-S281 WeakPolarHBondContact O-CB 3.4Å; S277-S281 PolarHBondContact O-N 2.9Å; S277-S281 PolarHBondContact O-OG 2.91Å |
| 278 | N | 90.1 | Very high | 84.8 | Confident | 42 Ų | 42 | 46.5 Ų | 46.5 | 23% | 0.225 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -72.6 | -45.3 | -178.2 | -67.7 | 1.9 | 0 | 0 | 0 | 110.6 | I274 P275 V276 V280 S281 T282 L391 S392 | I274-N278 HydrophobicContact CG2-CB 4.48Å; P275-N278 HydrophobicContact CB-CB 4.48Å; P275-N278 WeakPolarHBondContact O-CB 3.1Å; P275-N278 PolarHBondContact O-N 2.93Å; V276-N278 PolarHBondContact O-N 3.1Å; N278-V280 PolarHBondContact O-N 2.67Å; N278-S281 PolarHBondContact O-N 3.45Å; N278-T282 WeakPolarHBondContact O-CB 2.96Å; N278-T282 PolarHBondContact O-N 3.36Å; N278-T282 PolarHBondContact O-OG1 3.45Å; N278-L391 PolarHBondContact ND2-O 2.88Å; N278-S392 WeakPolarHBondContact CB-OG 3.49Å; N278-S392 WeakPolarHBondContact ND2-CA 3.33Å; N278-S392 PolarHBondContact ND2-OG 3.3Å |
| 279 | I | 91.2 | Very high | 85.4 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.3 | -51.8 | 175.6 | -62.3 | 169.7 | 0 | 0 | 0 | 110.1 | M255 P256 I274 P275 V276 S281 T282 L283 I388 | M255-I279 HydrophobicContact CB-CG2 3.84Å; P256-I279 HydrophobicContact CG-CB 4.3Å; P256-I279 HydrophobicContact CG-CD1 4.49Å; P256-I279 HydrophobicContact CG-CG2 3.84Å; I274-I279 HydrophobicContact CB-CD1 4.23Å; I274-I279 HydrophobicContact CG2-CD1 3.71Å; I274-I279 HydrophobicContact CG2-CG1 3.5Å; P275-I279 PolarHBondContact O-N 3.21Å; V276-I279 PolarHBondContact O-N 3.01Å; I279-S281 PolarHBondContact O-N 3.47Å; I279-T282 PolarHBondContact O-N 2.94Å; I279-L283 HydrophobicContact CG2-CD1 3.9Å; I279-L283 WeakPolarHBondContact O-CB 3.02Å; I279-L283 WeakPolarHBondContact O-CG 3.21Å; I279-L283 PolarHBondContact O-N 3.13Å; I279-I388 HydrophobicContact CG1-CG2 3.73Å; I279-I388 HydrophobicContact CG2-CD1 4.21Å |
| 280 | V | 92.4 | Very high | 86.5 | Confident | 42 Ų | 42 | 44.5 Ų | 44.5 | 26% | 0.255 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.6 | -43.6 | -178.6 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | L252 P256 V276 N278 L283 L284 | L252-V280 HydrophobicContact CD2-CG1 4.43Å; P256-V280 HydrophobicContact CG-CG2 4.29Å; V276-V280 HydrophobicContact CG1-CG2 4.01Å; V276-V280 WeakPolarHBondContact O-CG2 3.47Å; V276-V280 PolarHBondContact O-N 3.5Å; N278-V280 PolarHBondContact O-N 2.67Å; V280-L283 PolarHBondContact O-N 3.31Å; V280-L284 HydrophobicContact CG1-CD1 3.87Å; V280-L284 HydrophobicContact CG1-CG 4.26Å; V280-L284 WeakPolarHBondContact O-CB 3.46Å; V280-L284 VanDerWaalsContact O-CG 3.29Å; V280-L284 WeakPolarHBondContact O-CG 3.39Å; V280-L284 PolarHBondContact O-N 3.42Å |
| 281 | S | 91.3 | Very high | 87.8 | Confident | 71 Ų | 71 | 42.7 Ų | 42.7 | 50% | 0.497 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.4 | -42.6 | 179.1 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | S277 N278 I279 L284 F285 | S277-S281 WeakPolarHBondContact O-CB 3.4Å; S277-S281 PolarHBondContact O-N 2.9Å; S277-S281 PolarHBondContact O-OG 2.91Å; N278-S281 PolarHBondContact O-N 3.45Å; I279-S281 PolarHBondContact O-N 3.47Å; S281-L284 PolarHBondContact O-N 3.43Å; S281-F285 WeakPolarHBondContact O-CB 3.3Å; S281-F285 PolarHBondContact O-N 2.86Å |
| 282 | T | 90.8 | Very high | 88.9 | Confident | 11 Ų | 11 | 43.1 Ų | 43.1 | 7% | 0.067 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.8 | -39.3 | 176.5 | -52.5 | 0 | 0 | 0 | 0 | 111.8 | N278 I279 F285 I286 L384 A387 I388 L391 | N278-T282 WeakPolarHBondContact O-CB 2.96Å; N278-T282 PolarHBondContact O-N 3.36Å; N278-T282 PolarHBondContact O-OG1 3.45Å; I279-T282 PolarHBondContact O-N 2.94Å; T282-F285 WeakPolarHBondContact O-CB 3.47Å; T282-F285 PolarHBondContact O-N 2.91Å; T282-I286 PolarHBondContact O-N 2.87Å; T282-L384 HydrophobicContact CG2-CD1 3.65Å; T282-A387 HydrophobicContact CG2-CB 3.98Å; T282-I388 HydrophobicContact CG2-CG1 3.93Å; T282-L391 HydrophobicContact CG2-CD1 4.49Å; T282-L391 WeakPolarHBondContact OG1-CD1 3.46Å |
| 283 | L | 91 | Very high | 89.7 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.4 | -44.4 | 174.5 | -80.6 | 167 | 0 | 0 | 0 | 111.8 | A251 L252 M255 I279 V280 F285 I286 L287 L384 | A251-L283 HydrophobicContact CB-CD1 4.12Å; A251-L283 HydrophobicContact CB-CD2 3.9Å; A251-L283 WeakPolarHBondContact O-CD1 3.28Å; L252-L283 HydrophobicContact CD2-CB 3.65Å; L252-L283 HydrophobicContact CD2-CD1 4.08Å; L252-L283 HydrophobicContact CD2-CG 4.5Å; M255-L283 HydrophobicContact SD-CD1 4.15Å; M255-L283 HydrophobicContact SD-CD2 4.27Å; I279-L283 HydrophobicContact CG2-CD1 3.9Å; I279-L283 WeakPolarHBondContact O-CB 3.02Å; I279-L283 WeakPolarHBondContact O-CG 3.21Å; I279-L283 PolarHBondContact O-N 3.13Å; V280-L283 PolarHBondContact O-N 3.31Å; L283-F285 VanDerWaalsContact C-N 3.3Å; L283-F285 PolarHBondContact O-N 3.47Å; L283-I286 PolarHBondContact O-N 2.93Å; L283-I286 VanDerWaalsContact O-N 3.1Å; L283-L287 WeakPolarHBondContact O-CB 3.33Å; L283-L287 WeakPolarHBondContact O-CG 3.39Å; L283-L287 PolarHBondContact O-N 2.89Å; L283-L384 HydrophobicContact CD2-CD1 4.38Å; L283-L384 HydrophobicContact CD2-CD2 3.64Å |
| 284 | L | 92 | Very high | 90.2 | Very high | 81 Ų | 81 | 38.6 Ų | 38.6 | 42% | 0.424 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.2 | -39.2 | 175.4 | -74.5 | 175 | 0 | 0 | 0 | 111.7 | L252 V280 S281 I286 L287 V288 | L252-L284 HydrophobicContact CD2-CD2 4.48Å; L252-L284 HydrophobicContact CD2-CG 4.45Å; V280-L284 HydrophobicContact CG1-CD1 3.87Å; V280-L284 HydrophobicContact CG1-CG 4.26Å; V280-L284 WeakPolarHBondContact O-CB 3.46Å; V280-L284 VanDerWaalsContact O-CG 3.29Å; V280-L284 WeakPolarHBondContact O-CG 3.39Å; V280-L284 PolarHBondContact O-N 3.42Å; S281-L284 PolarHBondContact O-N 3.43Å; L284-I286 PolarHBondContact O-N 3Å; L284-L287 PolarHBondContact O-N 3.4Å; L284-V288 WeakPolarHBondContact O-CB 3.47Å; L284-V288 VanDerWaalsContact O-CG2 3.23Å; L284-V288 WeakPolarHBondContact O-CG2 3.44Å; L284-V288 PolarHBondContact O-N 3.28Å |
| 285 | F | 90.1 | Very high | 90.6 | Very high | 93 Ų | 93 | 42.3 Ų | 42.3 | 41% | 0.408 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.7 | -31.7 | 175 | -177.6 | -96.6 | 0 | 0 | 0 | 112.8 | L153 L157 S281 T282 L283 P289 | L153-F285 HydrophobicContact CD1-CE1 3.98Å; L153-F285 HydrophobicContact CD1-CZ 3.5Å; L153-F285 VanDerWaalsContact CD1-CZ 3.5Å; L153-F285 HydrophobicContact CD2-CZ 4.4Å; L153-F285 HydrophobicContact CG-CZ 4.08Å; L157-F285 HydrophobicContact CD1-CE2 4.32Å; L157-F285 HydrophobicContact CD1-CZ 4.06Å; L157-F285 HydrophobicContact CD2-CD1 4.43Å; L157-F285 HydrophobicContact CD2-CE1 3.78Å; L157-F285 HydrophobicContact CD2-CE2 3.93Å; L157-F285 HydrophobicContact CD2-CZ 3.47Å; L157-F285 VanDerWaalsContact CD2-CZ 3.47Å; L157-F285 HydrophobicContact CG-CE1 4.44Å; L157-F285 HydrophobicContact CG-CZ 3.89Å; S281-F285 WeakPolarHBondContact O-CB 3.3Å; S281-F285 PolarHBondContact O-N 2.86Å; T282-F285 WeakPolarHBondContact O-CB 3.47Å; T282-F285 PolarHBondContact O-N 2.91Å; L283-F285 VanDerWaalsContact C-N 3.3Å; L283-F285 PolarHBondContact O-N 3.47Å; F285-P289 WeakPolarHBondContact O-CD 3.14Å; F285-P289 WeakPolarHBondContact O-CG 3.31Å |
| 286 | I | 88.1 | Confident | 90.8 | Very high | 25 Ų | 25 | 42.7 Ų | 42.7 | 13% | 0.128 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -87.7 | -40.4 | 174.9 | -60.8 | 177.7 | 0 | 0 | 0 | 111.7 | K160 T282 L283 L284 P289 V290 L384 | K160-I286 HydrophobicContact CD-CG2 4.01Å; K160-I286 HydrophobicContact CG-CG2 4.41Å; T282-I286 PolarHBondContact O-N 2.87Å; L283-I286 PolarHBondContact O-N 2.93Å; L283-I286 VanDerWaalsContact O-N 3.1Å; L284-I286 PolarHBondContact O-N 3Å; I286-P289 VanDerWaalsContact O-CD 3.29Å; I286-P289 WeakPolarHBondContact O-CD 3.43Å; I286-P289 VanDerWaalsContact O-CG 3.26Å; I286-P289 WeakPolarHBondContact O-CG 3.15Å; I286-V290 VanDerWaalsContact O-CG2 3.28Å; I286-V290 WeakPolarHBondContact O-CG2 3.33Å; I286-V290 PolarHBondContact O-N 3Å; I286-L384 HydrophobicContact CD1-CD1 3.86Å |
| 287 | L | 89.6 | Confident | 90.8 | Very high | 7 Ų | 7 | 40.7 Ų | 40.7 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.6 | -36 | -175.8 | -81.3 | 168.2 | 0 | 0 | 0 | 113 | T248 F249 L252 L283 L284 V290 S291 | T248-L287 HydrophobicContact CG2-CD2 3.66Å; T248-L287 HydrophobicContact CG2-CG 3.94Å; F249-L287 HydrophobicContact CD1-CD1 4.43Å; F249-L287 HydrophobicContact CD1-CD2 3.99Å; F249-L287 HydrophobicContact CD2-CD2 4.16Å; F249-L287 HydrophobicContact CE1-CD2 3.88Å; F249-L287 HydrophobicContact CE2-CD2 4.04Å; F249-L287 HydrophobicContact CG-CD2 4.13Å; F249-L287 HydrophobicContact CZ-CD2 3.9Å; L252-L287 HydrophobicContact CD1-CD1 3.61Å; L252-L287 HydrophobicContact CD2-CD1 3.9Å; L252-L287 HydrophobicContact CG-CD1 3.72Å; L283-L287 WeakPolarHBondContact O-CB 3.33Å; L283-L287 WeakPolarHBondContact O-CG 3.39Å; L283-L287 PolarHBondContact O-N 2.89Å; L284-L287 PolarHBondContact O-N 3.4Å; L287-V290 PolarHBondContact O-N 3.39Å; L287-S291 VanDerWaalsContact O-CB 3.28Å; L287-S291 WeakPolarHBondContact O-CB 3.41Å; L287-S291 PolarHBondContact O-N 2.87Å; L287-S291 PolarHBondContact O-OG 3.29Å |
| 288 | V | 93.3 | Very high | 90.8 | Very high | 86 Ų | 86 | 46.1 Ų | 46.1 | 52% | 0.521 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.1 | -55.8 | 179.2 | 168.4 | 0 | 0 | 0 | 0 | 111.9 | L284 V290 S291 T292 | L284-V288 WeakPolarHBondContact O-CB 3.47Å; L284-V288 VanDerWaalsContact O-CG2 3.23Å; L284-V288 WeakPolarHBondContact O-CG2 3.44Å; L284-V288 PolarHBondContact O-N 3.28Å; V288-V290 VanDerWaalsContact C-N 3.34Å; V288-V290 PolarHBondContact O-N 2.83Å; V288-S291 PolarHBondContact O-N 3.47Å; V288-T292 PolarHBondContact O-N 2.99Å; V288-T292 PolarHBondContact O-OG1 3.3Å |
| 289 | P | 91.4 | Very high | 90.8 | Very high | 15 Ų | 15 | 53.7 Ų | 53.7 | 10% | 0.097 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.4 | -38.4 | 178.7 | 23.9 | -34.1 | 0 | 0 | 0 | 112.2 | L157 K160 C161 F285 I286 S291 T292 G293 | L157-P289 HydrophobicContact CD2-CB 4.37Å; L157-P289 HydrophobicContact CD2-CG 3.84Å; K160-P289 HydrophobicContact CB-CB 4.09Å; K160-P289 HydrophobicContact CB-CG 3.84Å; C161-P289 VanDerWaalsContact CA-O 3.29Å; C161-P289 WeakPolarHBondContact CA-O 3.32Å; C161-P289 HydrophobicContact CB-CB 4.3Å; F285-P289 WeakPolarHBondContact O-CD 3.14Å; F285-P289 WeakPolarHBondContact O-CG 3.31Å; I286-P289 VanDerWaalsContact O-CD 3.29Å; I286-P289 WeakPolarHBondContact O-CD 3.43Å; I286-P289 VanDerWaalsContact O-CG 3.26Å; I286-P289 WeakPolarHBondContact O-CG 3.15Å; P289-S291 PolarHBondContact O-N 3.46Å; P289-T292 WeakPolarHBondContact O-CB 3.31Å; P289-T292 PolarHBondContact O-N 3.47Å; P289-G293 PolarHBondContact O-N 3.25Å |
| 290 | V | 89.9 | Confident | 90.9 | Very high | 9 Ų | 9 | 57.1 Ų | 57.1 | 6% | 0.055 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 175.7 | 174.8 | 0 | 0 | 0 | 0 | 111 | K160 F163 G164 I167 I286 L287 V288 T292 G293 I294 | K160-V290 HydrophobicContact CB-CG2 4.1Å; K160-V290 WeakPolarHBondContact O-CG2 3.48Å; F163-V290 HydrophobicContact CD1-CG1 4.27Å; F163-V290 HydrophobicContact CD1-CG2 4.22Å; G164-V290 WeakPolarHBondContact CA-O 3.45Å; I167-V290 HydrophobicContact CD1-CG1 4.25Å; I286-V290 VanDerWaalsContact O-CG2 3.28Å; I286-V290 WeakPolarHBondContact O-CG2 3.33Å; I286-V290 PolarHBondContact O-N 3Å; L287-V290 PolarHBondContact O-N 3.39Å; V288-V290 VanDerWaalsContact C-N 3.34Å; V288-V290 PolarHBondContact O-N 2.83Å; V290-T292 VanDerWaalsContact C-N 3.34Å; V290-T292 PolarHBondContact O-N 3.45Å; V290-G293 PolarHBondContact O-N 3.47Å; V290-G293 VanDerWaalsContact O-N 3.13Å; V290-I294 HydrophobicContact CG1-CD1 4.25Å; V290-I294 WeakPolarHBondContact O-CG1 3.46Å; V290-I294 PolarHBondContact O-N 3Å |
| 291 | S | 91 | Very high | 90.6 | Very high | 41 Ų | 41 | 58.7 Ų | 58.7 | 29% | 0.287 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 178.1 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | L287 V288 P289 G293 I294 V295 | L287-S291 VanDerWaalsContact O-CB 3.28Å; L287-S291 WeakPolarHBondContact O-CB 3.41Å; L287-S291 PolarHBondContact O-N 2.87Å; L287-S291 PolarHBondContact O-OG 3.29Å; V288-S291 PolarHBondContact O-N 3.47Å; P289-S291 PolarHBondContact O-N 3.46Å; S291-G293 VanDerWaalsContact C-N 3.31Å; S291-G293 PolarHBondContact O-N 3.34Å; S291-I294 WeakPolarHBondContact O-CB 3.44Å; S291-I294 PolarHBondContact O-N 2.95Å; S291-V295 WeakPolarHBondContact O-CG2 3.37Å; S291-V295 PolarHBondContact O-N 3.44Å |
| 292 | T | 91.7 | Very high | 90.5 | Very high | 68 Ų | 68 | 62.9 Ų | 62.9 | 42% | 0.417 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.2 | -44 | 172.7 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | V288 P289 V290 I294 V295 I296 | V288-T292 PolarHBondContact O-N 2.99Å; V288-T292 PolarHBondContact O-OG1 3.3Å; P289-T292 WeakPolarHBondContact O-CB 3.31Å; P289-T292 PolarHBondContact O-N 3.47Å; V290-T292 VanDerWaalsContact C-N 3.34Å; V290-T292 PolarHBondContact O-N 3.45Å; T292-I294 PolarHBondContact O-N 2.94Å; T292-V295 PolarHBondContact O-N 2.89Å; T292-I296 HydrophobicContact CG2-CD1 3.91Å; T292-I296 HydrophobicContact CG2-CG1 4.46Å; T292-I296 VanDerWaalsContact O-CG1 3.29Å; T292-I296 WeakPolarHBondContact O-CG1 3.42Å; T292-I296 PolarHBondContact O-N 3.21Å |
| 293 | G | 90.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59 | -43.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | C161 G164 C165 P289 V290 S291 V295 I296 K297 | C161-G293 VanDerWaalsContact O-CA 3.31Å; C161-G293 WeakPolarHBondContact O-CA 3.11Å; G164-G293 VanDerWaalsContact C-C 3.49Å; C165-G293 PolarHBondContact SG-O 3.36Å; P289-G293 PolarHBondContact O-N 3.25Å; V290-G293 PolarHBondContact O-N 3.47Å; V290-G293 VanDerWaalsContact O-N 3.13Å; S291-G293 VanDerWaalsContact C-N 3.31Å; S291-G293 PolarHBondContact O-N 3.34Å; G293-V295 VanDerWaalsContact C-N 3.35Å; G293-I296 PolarHBondContact O-N 2.92Å; G293-K297 PolarHBondContact O-N 3.28Å |
| 294 | I | 90.1 | Very high | 90.1 | Very high | 21 Ų | 21 | 68.9 Ų | 68.9 | 11% | 0.108 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61 | -44.9 | 175.6 | -64.8 | 167.1 | 0 | 0 | 0 | 110.4 | G164 I167 L169 V290 S291 T292 K297 R298 | G164-I294 WeakPolarHBondContact O-CG1 3.39Å; G164-I294 PolarHBondContact O-N 3.48Å; I167-I294 HydrophobicContact CB-CG1 4.02Å; I167-I294 HydrophobicContact CD1-CD1 4.03Å; I167-I294 HydrophobicContact CD1-CG1 4.13Å; I167-I294 HydrophobicContact CG2-CD1 4.47Å; I167-I294 HydrophobicContact CG2-CG1 4.36Å; L169-I294 HydrophobicContact CD1-CG2 3.67Å; L169-I294 HydrophobicContact CG-CG2 4.3Å; V290-I294 HydrophobicContact CG1-CD1 4.25Å; V290-I294 WeakPolarHBondContact O-CG1 3.46Å; V290-I294 PolarHBondContact O-N 3Å; S291-I294 WeakPolarHBondContact O-CB 3.44Å; S291-I294 PolarHBondContact O-N 2.95Å; T292-I294 PolarHBondContact O-N 2.94Å; I294-K297 PolarHBondContact O-N 3.25Å; I294-R298 PolarHBondContact O-N 2.96Å |
| 295 | V | 91.1 | Very high | 89.8 | Confident | 84 Ų | 84 | 68.1 Ų | 68.1 | 51% | 0.509 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 178.7 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | S291 T292 G293 R298 R299 | S291-V295 WeakPolarHBondContact O-CG2 3.37Å; S291-V295 PolarHBondContact O-N 3.44Å; T292-V295 PolarHBondContact O-N 2.89Å; G293-V295 VanDerWaalsContact C-N 3.35Å; V295-R298 PolarHBondContact O-N 3.5Å; V295-R299 HydrophobicContact CG1-CG 4.23Å; V295-R299 WeakPolarHBondContact O-CB 3.24Å; V295-R299 WeakPolarHBondContact O-CG 3.38Å; V295-R299 PolarHBondContact O-N 3.43Å |
| 296 | I | 91.2 | Very high | 89.6 | Confident | 50 Ų | 50 | 70.2 Ų | 70.2 | 26% | 0.256 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 175.7 | -69.3 | 166.4 | 0 | 0 | 0 | 110.3 | T292 G293 R298 R299 I300 A304 | T292-I296 HydrophobicContact CG2-CD1 3.91Å; T292-I296 HydrophobicContact CG2-CG1 4.46Å; T292-I296 VanDerWaalsContact O-CG1 3.29Å; T292-I296 WeakPolarHBondContact O-CG1 3.42Å; T292-I296 PolarHBondContact O-N 3.21Å; G293-I296 PolarHBondContact O-N 2.92Å; I296-R298 VanDerWaalsContact C-N 3.27Å; I296-R298 PolarHBondContact O-N 2.93Å; I296-R299 PolarHBondContact O-N 3.4Å; I296-I300 CarbonylContact O-C 3.15Å; I296-I300 PolarHBondContact O-N 3.07Å; I296-A304 HydrophobicContact CG2-CB 4.23Å |
| 297 | K | 90.3 | Very high | 89.3 | Confident | 38 Ų | 38 | 70.8 Ų | 70.8 | 17% | 0.165 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.2 | -40.7 | 176.6 | -177.4 | 64.8 | 162.3 | -155.4 | 0 | 112.5 | C165 G293 I294 A304 E308 | C165-K297 WeakPolarHBondContact O-CD 3.48Å; C165-K297 WeakPolarHBondContact O-CE 3.37Å; C165-K297 VanDerWaalsContact O-CG 3.23Å; C165-K297 WeakPolarHBondContact O-CG 3.46Å; G293-K297 PolarHBondContact O-N 3.28Å; I294-K297 PolarHBondContact O-N 3.25Å; K297-A304 HydrophobicContact CB-CB 4.09Å; K297-A304 HydrophobicContact CD-CB 3.61Å; K297-A304 HydrophobicContact CG-CB 4.48Å; K297-E308 IonicContact NZ-OE1 2.69Å; K297-E308 PolarHBondContact NZ-OE1 3.41Å |
| 298 | R | 88.7 | Confident | 89 | Confident | 183 Ų | 183 | 71.9 Ų | 71.9 | 69% | 0.691 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -70.6 | -41.9 | 179.2 | -171.6 | -173.8 | -178.9 | 168 | -2.9 | 112.9 | L169 I294 V295 I296 | L169-R298 HydrophobicContact CD1-CB 3.92Å; L169-R298 HydrophobicContact CD1-CG 4.07Å; I294-R298 PolarHBondContact O-N 2.96Å; V295-R298 PolarHBondContact O-N 3.5Å; I296-R298 VanDerWaalsContact C-N 3.27Å; I296-R298 PolarHBondContact O-N 2.93Å |
| 299 | R | 91 | Very high | 88.5 | Confident | 201 Ų | 201 | 77.4 Ų | 77.4 | 76% | 0.758 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -87.5 | -38.2 | -171.9 | -69.9 | -70.1 | -169.9 | 169.4 | 2.3 | 113 | V295 I296 | V295-R299 HydrophobicContact CG1-CG 4.23Å; V295-R299 WeakPolarHBondContact O-CB 3.24Å; V295-R299 WeakPolarHBondContact O-CG 3.38Å; V295-R299 PolarHBondContact O-N 3.43Å; I296-R299 PolarHBondContact O-N 3.4Å |
| 300 | I | 92.1 | Very high | 88 | Confident | 73 Ų | 73 | 80.9 Ų | 80.9 | 37% | 0.374 | 38% | 0.383 | S | S | . | . | trans | -141.2 | 75.1 | -172.6 | -41.8 | 176.2 | 0 | 0 | 0 | 109.4 | I296 E302 K303 A304 | I296-I300 CarbonylContact O-C 3.15Å; I296-I300 PolarHBondContact O-N 3.07Å; I300-E302 PolarHBondContact O-N 3.46Å; I300-K303 HydrophobicContact CB-CB 4.29Å; I300-K303 HydrophobicContact CB-CD 4.43Å; I300-K303 HydrophobicContact CB-CG 4.46Å; I300-K303 HydrophobicContact CD1-CD 4.12Å; I300-K303 HydrophobicContact CG2-CB 3.91Å; I300-K303 HydrophobicContact CG2-CD 3.85Å; I300-K303 HydrophobicContact CG2-CG 3.67Å; I300-K303 PolarHBondContact O-N 3.17Å; I300-K303 VanDerWaalsContact O-N 3.11Å; I300-A304 PolarHBondContact O-N 2.96Å; I300-A304 VanDerWaalsContact O-N 3.17Å | ||
| 301 | P | 87.9 | Confident | 87.5 | Confident | 76 Ų | 76 | 80.6 Ų | 80.6 | 49% | 0.494 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.1 | -28.9 | -173.6 | 23.8 | -34 | 0 | 0 | 0 | 113.6 | A304 S305 | P301-A304 PolarHBondContact O-N 3.4Å; P301-S305 PolarHBondContact O-N 3.46Å; P301-S305 PolarHBondContact O-OG 2.91Å |
| 302 | E | 89.2 | Confident | 86.9 | Confident | 159 Ų | 159 | 85.3 Ų | 85.3 | 74% | 0.743 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -64 | -42.1 | 175.3 | -63.4 | 177.5 | -179 | 0 | 0 | 112.7 | I300 A304 S305 F306 | I300-E302 PolarHBondContact O-N 3.46Å; E302-A304 VanDerWaalsContact C-N 3.34Å; E302-S305 PolarHBondContact O-OG 2.88Å; E302-F306 PolarHBondContact O-N 3.48Å; E302-F306 VanDerWaalsContact O-N 3.16Å |
| 303 | K | 86.3 | Confident | 86.4 | Confident | 137 Ų | 137 | 85.5 Ų | 85.5 | 60% | 0.596 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -69.6 | -36.3 | 175.1 | -72.9 | -173.8 | -176.9 | -179.9 | 0 | 111.1 | I300 F306 L307 | I300-K303 HydrophobicContact CB-CB 4.29Å; I300-K303 HydrophobicContact CB-CD 4.43Å; I300-K303 HydrophobicContact CB-CG 4.46Å; I300-K303 HydrophobicContact CD1-CD 4.12Å; I300-K303 HydrophobicContact CG2-CB 3.91Å; I300-K303 HydrophobicContact CG2-CD 3.85Å; I300-K303 HydrophobicContact CG2-CG 3.67Å; I300-K303 PolarHBondContact O-N 3.17Å; I300-K303 VanDerWaalsContact O-N 3.11Å; K303-F306 PolarHBondContact O-N 2.9Å; K303-L307 VanDerWaalsContact O-CB 3.24Å; K303-L307 WeakPolarHBondContact O-CB 3.42Å; K303-L307 PolarHBondContact O-N 3.08Å |
| 304 | A | 85.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 87.3 Ų | 87.3 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C165 I296 K297 I300 P301 E302 L307 E308 | C165-A304 HydrophobicContact CB-CB 4.17Å; I296-A304 HydrophobicContact CG2-CB 4.23Å; K297-A304 HydrophobicContact CB-CB 4.09Å; K297-A304 HydrophobicContact CD-CB 3.61Å; K297-A304 HydrophobicContact CG-CB 4.48Å; I300-A304 PolarHBondContact O-N 2.96Å; I300-A304 VanDerWaalsContact O-N 3.17Å; P301-A304 PolarHBondContact O-N 3.4Å; E302-A304 VanDerWaalsContact C-N 3.34Å; A304-L307 PolarHBondContact O-N 2.74Å; A304-E308 WeakPolarHBondContact O-CB 3.37Å; A304-E308 VanDerWaalsContact O-CG 3.27Å; A304-E308 WeakPolarHBondContact O-CG 3.41Å; A304-E308 PolarHBondContact O-N 3.3Å |
| 305 | S | 85.3 | Confident | 85.2 | Confident | 64 Ų | 64 | 87 Ų | 87 | 45% | 0.448 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.6 | -38.2 | 178.1 | 66.9 | 0 | 0 | 0 | 0 | 112.4 | P301 E302 R309 | P301-S305 PolarHBondContact O-N 3.46Å; P301-S305 PolarHBondContact O-OG 2.91Å; E302-S305 PolarHBondContact O-OG 2.88Å; S305-R309 WeakPolarHBondContact O-CB 3.31Å; S305-R309 PolarHBondContact O-N 3.32Å |
| 306 | F | 86.6 | Confident | 84.6 | Confident | 138 Ų | 138 | 86.8 Ų | 86.8 | 61% | 0.605 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61.8 | -47.6 | 172.1 | -179 | -103.6 | 0 | 0 | 0 | 111.8 | E302 K303 R309 I310 | E302-F306 PolarHBondContact O-N 3.48Å; E302-F306 VanDerWaalsContact O-N 3.16Å; K303-F306 PolarHBondContact O-N 2.9Å; F306-R309 WeakPolarHBondContact O-CB 3.5Å; F306-R309 PolarHBondContact O-N 3.1Å; F306-R309 VanDerWaalsContact O-N 3.17Å; F306-I310 HydrophobicContact CD1-CD1 3.89Å; F306-I310 HydrophobicContact CD2-CD1 4.48Å; F306-I310 HydrophobicContact CE1-CD1 3.28Å; F306-I310 HydrophobicContact CE1-CG1 4.46Å; F306-I310 HydrophobicContact CE2-CD1 3.95Å; F306-I310 HydrophobicContact CG-CD1 4.47Å; F306-I310 HydrophobicContact CZ-CD1 3.33Å; F306-I310 HydrophobicContact CZ-CG1 4.41Å; F306-I310 PolarHBondContact O-N 3Å; F306-I310 VanDerWaalsContact O-N 3.07Å |
| 307 | L | 82.7 | Confident | 84.1 | Confident | 37 Ų | 37 | 89.3 Ų | 89.3 | 19% | 0.194 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 179.4 | -170.1 | 62.5 | 0 | 0 | 0 | 111.9 | L158 K303 A304 R309 I310 I311 | L158-L307 HydrophobicContact CD1-CD1 4.19Å; K303-L307 VanDerWaalsContact O-CB 3.24Å; K303-L307 WeakPolarHBondContact O-CB 3.42Å; K303-L307 PolarHBondContact O-N 3.08Å; A304-L307 PolarHBondContact O-N 2.74Å; L307-R309 VanDerWaalsContact C-N 3.3Å; L307-R309 PolarHBondContact O-N 2.6Å; L307-I310 PolarHBondContact O-N 3.02Å; L307-I311 HydrophobicContact CD1-CD1 3.36Å; L307-I311 HydrophobicContact CD1-CG1 4.23Å; L307-I311 HydrophobicContact CG-CD1 3.66Å; L307-I311 VanDerWaalsContact O-CB 3.32Å; L307-I311 WeakPolarHBondContact O-CB 3.5Å; L307-I311 WeakPolarHBondContact O-CG1 3.49Å; L307-I311 PolarHBondContact O-N 2.72Å |
| 308 | E | 81.7 | Confident | 83.4 | Confident | 29 Ų | 29 | 89.5 Ų | 89.5 | 14% | 0.136 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.3 | -38.9 | 173.2 | -77 | 174.4 | -143.1 | 0 | 0 | 112.3 | C165 K166 K297 A304 R312 | C165-E308 HydrophobicContact CB-CG 3.93Å; K166-E308 HydrophobicContact CG-CG 4.16Å; K297-E308 IonicContact NZ-OE1 2.69Å; K297-E308 PolarHBondContact NZ-OE1 3.41Å; A304-E308 WeakPolarHBondContact O-CB 3.37Å; A304-E308 VanDerWaalsContact O-CG 3.27Å; A304-E308 WeakPolarHBondContact O-CG 3.41Å; A304-E308 PolarHBondContact O-N 3.3Å; E308-R312 VanDerWaalsContact O-CB 3.29Å; E308-R312 WeakPolarHBondContact O-CB 3.33Å; E308-R312 PolarHBondContact O-N 3.09Å |
| 309 | R | 83.6 | Confident | 82.8 | Confident | 203 Ų | 203 | 83 Ų | 83 | 77% | 0.766 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -69 | -42.5 | -179.3 | -172.2 | 172.9 | -174.5 | 159.2 | 0.5 | 112.1 | S305 F306 L307 P313 | S305-R309 WeakPolarHBondContact O-CB 3.31Å; S305-R309 PolarHBondContact O-N 3.32Å; F306-R309 WeakPolarHBondContact O-CB 3.5Å; F306-R309 PolarHBondContact O-N 3.1Å; F306-R309 VanDerWaalsContact O-N 3.17Å; L307-R309 VanDerWaalsContact C-N 3.3Å; L307-R309 PolarHBondContact O-N 2.6Å; R309-P313 VanDerWaalsContact O-CD 3.26Å; R309-P313 WeakPolarHBondContact O-CD 3.39Å |
| 310 | I | 80.6 | Confident | 82.1 | Confident | 88 Ų | 88 | 79.7 Ų | 79.7 | 45% | 0.451 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.9 | -41.6 | 177.5 | -69.2 | 178.5 | 0 | 0 | 0 | 111 | F306 L307 P313 | F306-I310 HydrophobicContact CD1-CD1 3.89Å; F306-I310 HydrophobicContact CD2-CD1 4.48Å; F306-I310 HydrophobicContact CE1-CD1 3.28Å; F306-I310 HydrophobicContact CE1-CG1 4.46Å; F306-I310 HydrophobicContact CE2-CD1 3.95Å; F306-I310 HydrophobicContact CG-CD1 4.47Å; F306-I310 HydrophobicContact CZ-CD1 3.33Å; F306-I310 HydrophobicContact CZ-CG1 4.41Å; F306-I310 PolarHBondContact O-N 3Å; F306-I310 VanDerWaalsContact O-N 3.07Å; L307-I310 PolarHBondContact O-N 3.02Å; I310-P313 VanDerWaalsContact O-CD 3.23Å; I310-P313 WeakPolarHBondContact O-CD 3.25Å; I310-P313 VanDerWaalsContact O-CG 3.23Å; I310-P313 WeakPolarHBondContact O-CG 3.45Å |
| 311 | I | 79 | Confident | 81.4 | Confident | 2 Ų | 2 | 80.1 Ų | 80.1 | 1% | 0.01 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -83.5 | -21.8 | -171 | -65.9 | 172.3 | 0 | 0 | 0 | 111.9 | L158 A162 L307 L314 S315 | L158-I311 HydrophobicContact CD1-CD1 3.81Å; L158-I311 HydrophobicContact CD2-CD1 4.19Å; L158-I311 HydrophobicContact CG-CD1 3.57Å; L158-I311 HydrophobicContact CG-CG1 4.42Å; A162-I311 HydrophobicContact CB-CB 3.59Å; A162-I311 HydrophobicContact CB-CD1 3.4Å; A162-I311 HydrophobicContact CB-CG1 4.08Å; A162-I311 HydrophobicContact CB-CG2 3.28Å; L307-I311 HydrophobicContact CD1-CD1 3.36Å; L307-I311 HydrophobicContact CD1-CG1 4.23Å; L307-I311 HydrophobicContact CG-CD1 3.66Å; L307-I311 VanDerWaalsContact O-CB 3.32Å; L307-I311 WeakPolarHBondContact O-CB 3.5Å; L307-I311 WeakPolarHBondContact O-CG1 3.49Å; L307-I311 PolarHBondContact O-N 2.72Å; I311-L314 HydrophobicContact CG2-CD2 4.47Å; I311-L314 CarbonylContact O-C 3.59Å; I311-L314 WeakPolarHBondContact O-CA 3.35Å; I311-L314 WeakPolarHBondContact O-CB 3.32Å; I311-L314 PolarHBondContact O-N 2.93Å; I311-L314 VanDerWaalsContact O-N 3.09Å; I311-S315 WeakPolarHBondContact CG2-OG 3.17Å; I311-S315 PolarHBondContact O-N 2.94Å; I311-S315 PolarHBondContact O-OG 3.44Å |
| 312 | R | 79.2 | Confident | 80.8 | Confident | 141 Ų | 141 | 77.5 Ų | 77.5 | 53% | 0.532 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -50 | -57 | 174.3 | -171 | -177.7 | -55.7 | -161.3 | 0.4 | 113.5 | E308 L314 S315 F316 | E308-R312 VanDerWaalsContact O-CB 3.29Å; E308-R312 WeakPolarHBondContact O-CB 3.33Å; E308-R312 PolarHBondContact O-N 3.09Å; R312-L314 VanDerWaalsContact C-N 3.28Å; R312-L314 PolarHBondContact O-N 3.21Å; R312-S315 PolarHBondContact O-N 3.23Å; R312-F316 HydrophobicContact CG-CD2 4.22Å; R312-F316 HydrophobicContact CG-CE2 4.01Å; R312-F316 VanDerWaalsContact O-CD2 3.24Å; R312-F316 WeakPolarHBondContact O-CD2 3.25Å; R312-F316 PolarHBondContact O-N 3.48Å; R312-F316 VanDerWaalsContact O-N 3.15Å |
| 313 | P | 81.6 | Confident | 80.2 | Confident | 72 Ų | 72 | 72.5 Ų | 72.5 | 47% | 0.468 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.2 | -36.6 | 177.2 | 25.3 | -34.8 | 0 | 0 | 0 | 112.1 | R309 I310 F316 I317 | R309-P313 VanDerWaalsContact O-CD 3.26Å; R309-P313 WeakPolarHBondContact O-CD 3.39Å; I310-P313 VanDerWaalsContact O-CD 3.23Å; I310-P313 WeakPolarHBondContact O-CD 3.25Å; I310-P313 VanDerWaalsContact O-CG 3.23Å; I310-P313 WeakPolarHBondContact O-CG 3.45Å; P313-F316 PolarHBondContact O-N 3.46Å; P313-I317 VanDerWaalsContact O-CG1 3.3Å; P313-I317 WeakPolarHBondContact O-CG1 3.41Å; P313-I317 PolarHBondContact O-N 3.16Å |
| 314 | L | 80.3 | Confident | 79.8 | Confident | 38 Ų | 38 | 73.7 Ų | 73.7 | 20% | 0.199 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.9 | -44 | 176 | 177.3 | 66.1 | 0 | 0 | 0 | 112.5 | L155 I311 R312 F316 I317 L318 | L155-L314 HydrophobicContact CD1-CD1 3.79Å; L155-L314 HydrophobicContact CD1-CD2 3.45Å; L155-L314 VanDerWaalsContact CD1-CD2 3.45Å; L155-L314 HydrophobicContact CD1-CG 4.17Å; L155-L314 HydrophobicContact CD2-CD1 4.07Å; L155-L314 HydrophobicContact CG-CD1 4.1Å; L155-L314 HydrophobicContact CG-CD2 4.13Å; I311-L314 HydrophobicContact CG2-CD2 4.47Å; I311-L314 CarbonylContact O-C 3.59Å; I311-L314 WeakPolarHBondContact O-CA 3.35Å; I311-L314 WeakPolarHBondContact O-CB 3.32Å; I311-L314 PolarHBondContact O-N 2.93Å; I311-L314 VanDerWaalsContact O-N 3.09Å; R312-L314 VanDerWaalsContact C-N 3.28Å; R312-L314 PolarHBondContact O-N 3.21Å; L314-F316 VanDerWaalsContact C-N 3.29Å; L314-F316 PolarHBondContact O-N 2.89Å; L314-I317 PolarHBondContact O-N 3.33Å; L314-L318 HydrophobicContact CD1-CD1 4.36Å; L314-L318 HydrophobicContact CD1-CG 4.23Å; L314-L318 HydrophobicContact CG-CD1 4.05Å; L314-L318 HydrophobicContact CG-CG 4.37Å; L314-L318 WeakPolarHBondContact O-CB 3.22Å; L314-L318 VanDerWaalsContact O-CG 3.32Å; L314-L318 WeakPolarHBondContact O-CG 3.21Å; L314-L318 PolarHBondContact O-N 2.92Å |
| 315 | S | 75.6 | Confident | 79.3 | Confident | 15 Ų | 15 | 77.1 Ų | 77.1 | 11% | 0.105 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60 | -41.1 | 175.7 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | N159 I311 R312 M319 | N159-S315 WeakPolarHBondContact OD1-CB 3.3Å; N159-S315 PolarHBondContact OD1-OG 3.28Å; I311-S315 WeakPolarHBondContact CG2-OG 3.17Å; I311-S315 PolarHBondContact O-N 2.94Å; I311-S315 PolarHBondContact O-OG 3.44Å; R312-S315 PolarHBondContact O-N 3.23Å; S315-M319 VanDerWaalsContact O-CB 3.29Å; S315-M319 WeakPolarHBondContact O-CB 3.37Å; S315-M319 PolarHBondContact O-N 3.5Å |
| 316 | F | 77.9 | Confident | 78.7 | Confident | 79 Ų | 79 | 74.4 Ų | 74.4 | 35% | 0.346 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 174.4 | -85.2 | -77.2 | 0 | 0 | 0 | 111.2 | L228 R312 P313 L314 L318 M319 F320 | L228-F316 HydrophobicContact CD1-CE1 3.73Å; L228-F316 HydrophobicContact CD1-CZ 3.49Å; L228-F316 VanDerWaalsContact CD1-CZ 3.49Å; L228-F316 HydrophobicContact CD2-CD1 4.04Å; L228-F316 HydrophobicContact CD2-CE1 3.47Å; L228-F316 VanDerWaalsContact CD2-CE1 3.47Å; L228-F316 HydrophobicContact CD2-CZ 4.03Å; L228-F316 HydrophobicContact CG-CE1 4.23Å; L228-F316 HydrophobicContact CG-CZ 4.42Å; R312-F316 HydrophobicContact CG-CD2 4.22Å; R312-F316 HydrophobicContact CG-CE2 4.01Å; R312-F316 VanDerWaalsContact O-CD2 3.24Å; R312-F316 WeakPolarHBondContact O-CD2 3.25Å; R312-F316 PolarHBondContact O-N 3.48Å; R312-F316 VanDerWaalsContact O-N 3.15Å; P313-F316 PolarHBondContact O-N 3.46Å; L314-F316 VanDerWaalsContact C-N 3.29Å; L314-F316 PolarHBondContact O-N 2.89Å; F316-L318 PolarHBondContact O-N 3.22Å; F316-M319 HydrophobicContact CD1-CE 4.06Å; F316-M319 WeakPolarHBondContact O-CB 3.49Å; F316-M319 PolarHBondContact O-N 3.29Å; F316-F320 HydrophobicContact CD1-CE2 4.39Å; F316-F320 WeakPolarHBondContact O-CD2 3.34Å; F316-F320 PolarHBondContact O-N 2.93Å |
| 317 | I | 81.1 | Confident | 78.1 | Confident | 102 Ų | 102 | 72.5 Ų | 72.5 | 52% | 0.523 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59 | -49.9 | 177.7 | -68.4 | 164.7 | 0 | 0 | 0 | 110.4 | P313 L314 M319 F320 V321 | P313-I317 VanDerWaalsContact O-CG1 3.3Å; P313-I317 WeakPolarHBondContact O-CG1 3.41Å; P313-I317 PolarHBondContact O-N 3.16Å; L314-I317 PolarHBondContact O-N 3.33Å; I317-M319 VanDerWaalsContact C-N 3.28Å; I317-M319 PolarHBondContact O-N 3.15Å; I317-F320 PolarHBondContact O-N 3.42Å; I317-F320 VanDerWaalsContact O-N 3.16Å; I317-V321 HydrophobicContact CG2-CG2 4.22Å; I317-V321 WeakPolarHBondContact O-CB 3.23Å; I317-V321 VanDerWaalsContact O-CG2 3.3Å; I317-V321 WeakPolarHBondContact O-CG2 3.47Å; I317-V321 PolarHBondContact O-N 3.39Å |
| 318 | L | 75.4 | Confident | 77.7 | Confident | 43 Ų | 43 | 73.6 Ų | 73.6 | 23% | 0.225 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.4 | -39.4 | 177.3 | -75.3 | 173.8 | 0 | 0 | 0 | 112.3 | L155 N159 L314 F316 G322 | L155-L318 HydrophobicContact CD2-CD2 3.74Å; L155-L318 HydrophobicContact CD2-CG 4.44Å; L155-L318 HydrophobicContact CG-CD1 4.21Å; L155-L318 HydrophobicContact CG-CD2 4.27Å; N159-L318 HydrophobicContact CB-CD1 3.92Å; L314-L318 HydrophobicContact CD1-CD1 4.36Å; L314-L318 HydrophobicContact CD1-CG 4.23Å; L314-L318 HydrophobicContact CG-CD1 4.05Å; L314-L318 HydrophobicContact CG-CG 4.37Å; L314-L318 WeakPolarHBondContact O-CB 3.22Å; L314-L318 VanDerWaalsContact O-CG 3.32Å; L314-L318 WeakPolarHBondContact O-CG 3.21Å; L314-L318 PolarHBondContact O-N 2.92Å; F316-L318 PolarHBondContact O-N 3.22Å; L318-G322 PolarHBondContact O-N 3.28Å |
| 319 | M | 74.9 | Confident | 77.1 | Confident | 47 Ų | 47 | 73.3 Ų | 73.3 | 23% | 0.232 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.9 | -47.2 | 175.4 | -177.7 | -172.6 | 70.7 | 0 | 0 | 111.2 | L228 S315 F316 I317 G322 I323 | L228-M319 HydrophobicContact CD2-CE 3.55Å; L228-M319 HydrophobicContact CD2-SD 3.51Å; L228-M319 VanDerWaalsContact CD2-SD 3.51Å; S315-M319 VanDerWaalsContact O-CB 3.29Å; S315-M319 WeakPolarHBondContact O-CB 3.37Å; S315-M319 PolarHBondContact O-N 3.5Å; F316-M319 HydrophobicContact CD1-CE 4.06Å; F316-M319 WeakPolarHBondContact O-CB 3.49Å; F316-M319 PolarHBondContact O-N 3.29Å; I317-M319 VanDerWaalsContact C-N 3.28Å; I317-M319 PolarHBondContact O-N 3.15Å; M319-G322 PolarHBondContact O-N 2.9Å; M319-I323 HydrophobicContact CG-CD1 3.95Å; M319-I323 VanDerWaalsContact O-CG1 3.3Å; M319-I323 WeakPolarHBondContact O-CG1 3.39Å; M319-I323 PolarHBondContact O-N 3.31Å |
| 320 | F | 76.6 | Confident | 76.4 | Confident | 130 Ų | 130 | 63.7 Ų | 63.7 | 57% | 0.57 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.2 | -43.2 | 177.7 | -81.8 | -69.2 | 0 | 0 | 0 | 112.2 | F316 I317 G322 I323 Y324 | F316-F320 HydrophobicContact CD1-CE2 4.39Å; F316-F320 WeakPolarHBondContact O-CD2 3.34Å; F316-F320 PolarHBondContact O-N 2.93Å; I317-F320 PolarHBondContact O-N 3.42Å; I317-F320 VanDerWaalsContact O-N 3.16Å; F320-G322 VanDerWaalsContact C-N 3.33Å; F320-I323 PolarHBondContact O-N 3.3Å; F320-Y324 VanDerWaalsContact O-CB 3.31Å; F320-Y324 WeakPolarHBondContact O-CB 3.47Å; F320-Y324 PolarHBondContact O-N 2.8Å |
| 321 | V | 79.1 | Confident | 75.9 | Confident | 83 Ų | 83 | 62.9 Ų | 62.9 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 174.1 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | I317 Y324 L325 | I317-V321 HydrophobicContact CG2-CG2 4.22Å; I317-V321 WeakPolarHBondContact O-CB 3.23Å; I317-V321 VanDerWaalsContact O-CG2 3.3Å; I317-V321 WeakPolarHBondContact O-CG2 3.47Å; I317-V321 PolarHBondContact O-N 3.39Å; V321-Y324 PolarHBondContact O-N 2.92Å; V321-L325 WeakPolarHBondContact O-CB 3.23Å; V321-L325 PolarHBondContact O-N 3.21Å |
| 322 | G | 75.3 | Confident | 75.5 | Confident | 21 Ų | 21 | 66.9 Ų | 66.9 | 22% | 0.216 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L318 M319 F320 L325 T326 | L318-G322 PolarHBondContact O-N 3.28Å; M319-G322 PolarHBondContact O-N 2.9Å; F320-G322 VanDerWaalsContact C-N 3.33Å; G322-L325 PolarHBondContact O-N 3.43Å; G322-T326 VanDerWaalsContact O-CB 3.25Å; G322-T326 WeakPolarHBondContact O-CB 3.26Å; G322-T326 PolarHBondContact O-N 2.94Å; G322-T326 PolarHBondContact O-OG1 3.25Å |
| 323 | I | 75.3 | Confident | 74.9 | Confident | 53 Ų | 53 | 61.3 Ų | 61.3 | 27% | 0.272 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 175.3 | -69.4 | 167.2 | 0 | 0 | 0 | 110.3 | M319 F320 T326 F327 | M319-I323 HydrophobicContact CG-CD1 3.95Å; M319-I323 VanDerWaalsContact O-CG1 3.3Å; M319-I323 WeakPolarHBondContact O-CG1 3.39Å; M319-I323 PolarHBondContact O-N 3.31Å; F320-I323 PolarHBondContact O-N 3.3Å; I323-T326 PolarHBondContact O-N 3.43Å; I323-F327 VanDerWaalsContact O-CB 3.31Å; I323-F327 WeakPolarHBondContact O-CB 3.34Å; I323-F327 PolarHBondContact O-N 3.18Å |
| 324 | Y | 78.9 | Confident | 74.2 | Confident | 162 Ų | 162 | 61.6 Ų | 61.6 | 64% | 0.635 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -59.7 | -48.3 | 178.6 | 173.4 | -98.8 | 0 | 0 | 0 | 111.9 | F320 V321 T326 F327 T328 | F320-Y324 VanDerWaalsContact O-CB 3.31Å; F320-Y324 WeakPolarHBondContact O-CB 3.47Å; F320-Y324 PolarHBondContact O-N 2.8Å; V321-Y324 PolarHBondContact O-N 2.92Å; Y324-T326 VanDerWaalsContact C-N 3.31Å; Y324-T326 PolarHBondContact O-N 3Å; Y324-F327 PolarHBondContact O-N 3.03Å; Y324-T328 PolarHBondContact O-N 3.16Å; Y324-T328 PolarHBondContact O-OG1 2.65Å; Y324-T328 VanDerWaalsContact O-OG1 3.09Å |
| 325 | L | 74.7 | Confident | 73.5 | Confident | 73 Ų | 73 | 67.6 Ų | 67.6 | 38% | 0.382 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 177.9 | -171.3 | 67.1 | 0 | 0 | 0 | 111.2 | M142 V321 G322 F327 T328 V329 | M142-L325 HydrophobicContact CE-CD2 3.91Å; M142-L325 HydrophobicContact CE-CG 4.18Å; M142-L325 HydrophobicContact SD-CD1 3.81Å; M142-L325 HydrophobicContact SD-CD2 3.93Å; M142-L325 HydrophobicContact SD-CG 4.02Å; V321-L325 WeakPolarHBondContact O-CB 3.23Å; V321-L325 PolarHBondContact O-N 3.21Å; G322-L325 PolarHBondContact O-N 3.43Å; L325-F327 VanDerWaalsContact C-N 3.33Å; L325-F327 PolarHBondContact O-N 3.17Å; L325-T328 PolarHBondContact O-N 3.46Å; L325-V329 WeakPolarHBondContact O-CG2 3.18Å; L325-V329 PolarHBondContact O-N 3.13Å; L325-V329 VanDerWaalsContact O-N 3.11Å |
| 326 | T | 73.3 | Confident | 72.9 | Confident | 6 Ų | 6 | 69 Ų | 69 | 4% | 0.037 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 177.6 | -53.4 | 0 | 0 | 0 | 0 | 111.7 | G322 I323 Y324 G330 F383 F406 A409 M410 | G322-T326 VanDerWaalsContact O-CB 3.25Å; G322-T326 WeakPolarHBondContact O-CB 3.26Å; G322-T326 PolarHBondContact O-N 2.94Å; G322-T326 PolarHBondContact O-OG1 3.25Å; I323-T326 PolarHBondContact O-N 3.43Å; Y324-T326 VanDerWaalsContact C-N 3.31Å; Y324-T326 PolarHBondContact O-N 3Å; T326-G330 WeakPolarHBondContact O-CA 3.47Å; T326-G330 PolarHBondContact O-N 3.25Å; T326-F383 WeakPolarHBondContact OG1-CZ 3.4Å; T326-F406 VanDerWaalsContact CA-CZ 3.41Å; T326-F406 HydrophobicContact CG2-CD1 4.44Å; T326-F406 HydrophobicContact CG2-CE1 4Å; T326-F406 HydrophobicContact CG2-CE2 4.45Å; T326-F406 HydrophobicContact CG2-CZ 4.04Å; T326-F406 WeakPolarHBondContact O-CE1 3.5Å; T326-A409 HydrophobicContact CG2-CB 4.08Å; T326-M410 HydrophobicContact CG2-CB 3.66Å; T326-M410 HydrophobicContact CG2-CG 4.34Å |
| 327 | F | 74.3 | Confident | 72 | Confident | 99 Ų | 99 | 72.7 Ų | 72.7 | 43% | 0.434 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.5 | -46.8 | 177.3 | -173.4 | -102.8 | 0 | 0 | 0 | 112.1 | I323 Y324 L325 V329 G330 L331 | I323-F327 VanDerWaalsContact O-CB 3.31Å; I323-F327 WeakPolarHBondContact O-CB 3.34Å; I323-F327 PolarHBondContact O-N 3.18Å; Y324-F327 PolarHBondContact O-N 3.03Å; L325-F327 VanDerWaalsContact C-N 3.33Å; L325-F327 PolarHBondContact O-N 3.17Å; F327-V329 PolarHBondContact O-N 3.16Å; F327-G330 PolarHBondContact O-N 3.07Å; F327-L331 HydrophobicContact CD1-CD1 3.88Å; F327-L331 HydrophobicContact CD1-CG 4.41Å; F327-L331 HydrophobicContact CE1-CD1 3.48Å; F327-L331 VanDerWaalsContact CE1-CD1 3.48Å; F327-L331 HydrophobicContact CE1-CG 4.13Å; F327-L331 HydrophobicContact CZ-CD1 3.99Å; F327-L331 HydrophobicContact CZ-CD2 4.28Å; F327-L331 HydrophobicContact CZ-CG 4.25Å; F327-L331 WeakPolarHBondContact O-CG 3.4Å; F327-L331 PolarHBondContact O-N 3.41Å |
| 328 | T | 72.7 | Confident | 71.7 | Confident | 60 Ų | 60 | 69.9 Ų | 69.9 | 37% | 0.368 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61 | -47.5 | -178.6 | -63 | 0 | 0 | 0 | 0 | 112.3 | Y324 L325 G330 | Y324-T328 PolarHBondContact O-N 3.16Å; Y324-T328 PolarHBondContact O-OG1 2.65Å; Y324-T328 VanDerWaalsContact O-OG1 3.09Å; L325-T328 PolarHBondContact O-N 3.46Å; T328-G330 VanDerWaalsContact C-N 3.34Å |
| 329 | V | 70.6 | Confident | 72.1 | Confident | 22 Ų | 22 | 74.2 Ų | 74.2 | 13% | 0.133 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -72.8 | -32.9 | 177.9 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | M142 L325 F327 L331 M332 F333 F406 | M142-V329 HydrophobicContact CE-CG2 4.38Å; M142-V329 HydrophobicContact SD-CG2 4.12Å; L325-V329 WeakPolarHBondContact O-CG2 3.18Å; L325-V329 PolarHBondContact O-N 3.13Å; L325-V329 VanDerWaalsContact O-N 3.11Å; F327-V329 PolarHBondContact O-N 3.16Å; V329-L331 VanDerWaalsContact C-N 3.31Å; V329-L331 PolarHBondContact O-N 3.39Å; V329-M332 WeakPolarHBondContact O-CA 3.29Å; V329-M332 VanDerWaalsContact O-CB 3.28Å; V329-M332 WeakPolarHBondContact O-CB 3.43Å; V329-M332 PolarHBondContact O-N 2.99Å; V329-F333 HydrophobicContact CG1-CD2 4.18Å; V329-F333 HydrophobicContact CG1-CE2 3.54Å; V329-F333 HydrophobicContact CG1-CZ 4.14Å; V329-F333 WeakPolarHBondContact O-CD2 3.16Å; V329-F333 PolarHBondContact O-N 3.02Å; V329-F406 HydrophobicContact CB-CE1 3.43Å; V329-F406 VanDerWaalsContact CB-CE1 3.43Å; V329-F406 HydrophobicContact CB-CE2 4.38Å; V329-F406 HydrophobicContact CB-CZ 3.33Å; V329-F406 HydrophobicContact CG1-CD1 4.06Å; V329-F406 HydrophobicContact CG1-CE1 3.41Å; V329-F406 VanDerWaalsContact CG1-CE1 3.41Å; V329-F406 HydrophobicContact CG1-CE2 4.24Å; V329-F406 HydrophobicContact CG1-CZ 3.49Å; V329-F406 VanDerWaalsContact CG1-CZ 3.49Å; V329-F406 HydrophobicContact CG2-CZ 4.04Å |
| 330 | G | 68.2 | Low | 72.7 | Confident | 1 Ų | 1 | 76.5 Ų | 76.5 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.1 | -36.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T326 F327 T328 M332 F333 L334 M410 | T326-G330 WeakPolarHBondContact O-CA 3.47Å; T326-G330 PolarHBondContact O-N 3.25Å; F327-G330 PolarHBondContact O-N 3.07Å; T328-G330 VanDerWaalsContact C-N 3.34Å; G330-M332 PolarHBondContact O-N 3.44Å; G330-F333 PolarHBondContact O-N 3.24Å; G330-F333 VanDerWaalsContact O-N 3.17Å; G330-L334 PolarHBondContact O-N 3.33Å; G330-M410 VanDerWaalsContact CA-SD 3.56Å |
| 331 | L | 70.1 | Confident | 73.2 | Confident | 71 Ų | 71 | 70.4 Ų | 70.4 | 37% | 0.372 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.1 | -28.1 | 170.4 | -73.9 | 173.5 | 0 | 0 | 0 | 113.4 | F327 V329 L334 | F327-L331 HydrophobicContact CD1-CD1 3.88Å; F327-L331 HydrophobicContact CD1-CG 4.41Å; F327-L331 HydrophobicContact CE1-CD1 3.48Å; F327-L331 VanDerWaalsContact CE1-CD1 3.48Å; F327-L331 HydrophobicContact CE1-CG 4.13Å; F327-L331 HydrophobicContact CZ-CD1 3.99Å; F327-L331 HydrophobicContact CZ-CD2 4.28Å; F327-L331 HydrophobicContact CZ-CG 4.25Å; F327-L331 WeakPolarHBondContact O-CG 3.4Å; F327-L331 PolarHBondContact O-N 3.41Å; V329-L331 VanDerWaalsContact C-N 3.31Å; V329-L331 PolarHBondContact O-N 3.39Å; L331-L334 HydrophobicContact CD2-CD1 3.92Å |
| 332 | M | 70.4 | Confident | 73.7 | Confident | 87 Ų | 87 | 68.1 Ų | 68.1 | 43% | 0.429 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -70.9 | -41.7 | 174.3 | -59.4 | -71.4 | -87.5 | 0 | 0 | 110.3 | V329 G330 L334 K335 T336 | V329-M332 WeakPolarHBondContact O-CA 3.29Å; V329-M332 VanDerWaalsContact O-CB 3.28Å; V329-M332 WeakPolarHBondContact O-CB 3.43Å; V329-M332 PolarHBondContact O-N 2.99Å; G330-M332 PolarHBondContact O-N 3.44Å; M332-L334 VanDerWaalsContact C-N 3.34Å; M332-L334 PolarHBondContact O-N 2.94Å; M332-K335 PolarHBondContact O-N 3.37Å; M332-T336 PolarHBondContact O-OG1 3.09Å |
| 333 | F | 67.3 | Low | 74.4 | Confident | 24 Ų | 24 | 71.1 Ų | 71.1 | 11% | 0.105 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.3 | -35 | 175.9 | -64.8 | -54.1 | 0 | 0 | 0 | 112.9 | L138 V329 G330 K335 T336 V403 F406 | L138-F333 HydrophobicContact CD2-CE1 4.33Å; V329-F333 HydrophobicContact CG1-CD2 4.18Å; V329-F333 HydrophobicContact CG1-CE2 3.54Å; V329-F333 HydrophobicContact CG1-CZ 4.14Å; V329-F333 WeakPolarHBondContact O-CD2 3.16Å; V329-F333 PolarHBondContact O-N 3.02Å; G330-F333 PolarHBondContact O-N 3.24Å; G330-F333 VanDerWaalsContact O-N 3.17Å; F333-K335 PolarHBondContact O-N 3.3Å; F333-T336 PolarHBondContact O-N 2.95Å; F333-T336 PolarHBondContact O-OG1 3.37Å; F333-V403 HydrophobicContact CD1-CG1 3.89Å; F333-V403 HydrophobicContact CD1-CG2 4.29Å; F333-V403 HydrophobicContact CD2-CG1 4.45Å; F333-V403 HydrophobicContact CE1-CB 4.46Å; F333-V403 HydrophobicContact CE1-CG1 4.13Å; F333-V403 HydrophobicContact CE1-CG2 3.79Å; F333-V403 HydrophobicContact CG-CG1 4.08Å; F333-V403 HydrophobicContact CZ-CG1 4.5Å; F333-V403 HydrophobicContact CZ-CG2 4.17Å; F333-F406 HydrophobicContact CD2-CD1 4Å; F333-F406 HydrophobicContact CE2-CB 4.44Å; F333-F406 AromaticContact CE2-CD1 3.7Å; F333-F406 HydrophobicContact CE2-CD1 3.7Å; F333-F406 HydrophobicContact CE2-CE1 4.26Å; F333-F406 HydrophobicContact CE2-CG 4.19Å |
| 334 | L | 65.9 | Low | 75.2 | Confident | 78 Ų | 78 | 68.6 Ų | 68.6 | 41% | 0.408 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.4 | -28 | 173.5 | -81 | 162.4 | 0 | 0 | 0 | 113.6 | G330 L331 M332 T336 I342 M410 | G330-L334 PolarHBondContact O-N 3.33Å; L331-L334 HydrophobicContact CD2-CD1 3.92Å; M332-L334 VanDerWaalsContact C-N 3.34Å; M332-L334 PolarHBondContact O-N 2.94Å; L334-T336 VanDerWaalsContact C-N 3.29Å; L334-I342 HydrophobicContact CD2-CD1 3.3Å; L334-I342 HydrophobicContact CD2-CG1 3.99Å; L334-I342 HydrophobicContact CD2-CG2 4.33Å; L334-I342 HydrophobicContact CG-CD1 4.05Å; L334-M410 HydrophobicContact CD1-CE 4.42Å |
| 335 | K | 66.1 | Low | 75.8 | Confident | 163 Ų | 163 | 60.9 Ų | 60.9 | 71% | 0.709 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -4.7 | 177.3 | -67 | 175.5 | -178.9 | 179 | 0 | 113.9 | M332 F333 | M332-K335 PolarHBondContact O-N 3.37Å; F333-K335 PolarHBondContact O-N 3.3Å |
| 336 | T | 63.9 | Low | 76.7 | Confident | 44 Ų | 44 | 61.7 Ų | 61.7 | 27% | 0.27 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 21.9 | -170.1 | -32.8 | 0 | 0 | 0 | 0 | 112.3 | L137 M332 F333 L334 N338 | L137-T336 HydrophobicContact CD1-CG2 4.34Å; M332-T336 PolarHBondContact O-OG1 3.09Å; F333-T336 PolarHBondContact O-N 2.95Å; F333-T336 PolarHBondContact O-OG1 3.37Å; L334-T336 VanDerWaalsContact C-N 3.29Å; T336-N338 PolarHBondContact O-N 3.25Å; T336-N338 PolarHBondContact O-ND2 3.3Å |
| 337 | D | 57.8 | Low | 77.8 | Confident | 158 Ų | 158 | 64.3 Ų | 64.3 | 85% | 0.845 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 22.8 | 179.3 | -64.4 | -29.9 | 0 | 0 | 0 | 116.1 | L339 | D337-L339 PolarHBondContact O-N 3.49Š|
| 338 | N | 74.5 | Confident | 78.8 | Confident | 42 Ų | 42 | 59.7 Ų | 59.7 | 23% | 0.225 | 31% | 0.307 | C | S | . | . | trans | -83.9 | 53 | 175.8 | -70.1 | -64 | 0 | 0 | 0 | 112.1 | T336 E340 V341 I342 | T336-N338 PolarHBondContact O-N 3.25Å; T336-N338 PolarHBondContact O-ND2 3.3Å; N338-E340 PolarHBondContact O-N 3.31Å; N338-V341 HydrophobicContact CB-CB 4.4Å; N338-V341 HydrophobicContact CB-CG2 4.3Å; N338-V341 PolarHBondContact O-N 2.71Å; N338-I342 WeakPolarHBondContact O-CD1 3.24Å; N338-I342 PolarHBondContact O-N 3Å | ||
| 339 | L | 84.3 | Confident | 79.9 | Confident | 134 Ų | 134 | 56.8 Ų | 56.8 | 70% | 0.702 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -56.9 | -36.5 | -175.9 | -172.8 | 68.7 | 0 | 0 | 0 | 112.2 | D337 I342 L343 | D337-L339 PolarHBondContact O-N 3.49Å; L339-I342 PolarHBondContact O-N 2.64Å; L339-L343 WeakPolarHBondContact O-CB 3.47Å; L339-L343 PolarHBondContact O-N 3.44Å |
| 340 | E | 88.6 | Confident | 81.1 | Confident | 95 Ų | 95 | 57.7 Ų | 57.7 | 44% | 0.444 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57 | -48.9 | 177.3 | -69.1 | 172.5 | -170.2 | 0 | 0 | 112.5 | V204 L206 N338 I342 L343 L344 | V204-E340 HydrophobicContact CG1-CB 3.47Å; V204-E340 VanDerWaalsContact CG1-CB 3.47Å; V204-E340 HydrophobicContact CG1-CG 3.55Å; L206-E340 HydrophobicContact CD2-CB 3.71Å; N338-E340 PolarHBondContact O-N 3.31Å; E340-I342 VanDerWaalsContact C-N 3.31Å; E340-I342 PolarHBondContact O-N 2.88Å; E340-L343 WeakPolarHBondContact O-CB 3.3Å; E340-L343 PolarHBondContact O-N 3.28Å; E340-L344 WeakPolarHBondContact O-CD1 3.41Å; E340-L344 PolarHBondContact O-N 3.26Å |
| 341 | V | 86.4 | Confident | 82.5 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.8 | -34.7 | -179.2 | -175.8 | 0 | 0 | 0 | 0 | 111.2 | L206 Q210 N338 G345 V403 A404 T407 | L206-V341 HydrophobicContact CD2-CG2 3.74Å; Q210-V341 HydrophobicContact CB-CG2 4.37Å; Q210-V341 VanDerWaalsContact CD-CG2 3.47Å; Q210-V341 HydrophobicContact CG-CG2 4.24Å; Q210-V341 VanDerWaalsContact OE1-CG2 3.3Å; N338-V341 HydrophobicContact CB-CB 4.4Å; N338-V341 HydrophobicContact CB-CG2 4.3Å; N338-V341 PolarHBondContact O-N 2.71Å; V341-G345 PolarHBondContact O-N 2.95Å; V341-V403 HydrophobicContact CG1-CG1 4.12Å; V341-A404 HydrophobicContact CG1-CB 4.47Å; V341-T407 HydrophobicContact CG1-CG2 4.27Å |
| 342 | I | 88.8 | Confident | 83.8 | Confident | 35 Ų | 35 | 56 Ų | 56 | 18% | 0.179 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.4 | -43.3 | 175.4 | -66.1 | 151.7 | 0 | 0 | 0 | 110.9 | L334 N338 L339 E340 L344 G345 L346 T407 | L334-I342 HydrophobicContact CD2-CD1 3.3Å; L334-I342 HydrophobicContact CD2-CG1 3.99Å; L334-I342 HydrophobicContact CD2-CG2 4.33Å; L334-I342 HydrophobicContact CG-CD1 4.05Å; N338-I342 WeakPolarHBondContact O-CD1 3.24Å; N338-I342 PolarHBondContact O-N 3Å; L339-I342 PolarHBondContact O-N 2.64Å; E340-I342 VanDerWaalsContact C-N 3.31Å; E340-I342 PolarHBondContact O-N 2.88Å; I342-L344 PolarHBondContact O-N 2.83Å; I342-G345 WeakPolarHBondContact O-CA 3.49Å; I342-G345 PolarHBondContact O-N 3.34Å; I342-G345 VanDerWaalsContact O-N 3.13Å; I342-L346 PolarHBondContact O-N 2.85Å; I342-T407 HydrophobicContact CG1-CG2 4.18Å |
| 343 | L | 91.3 | Very high | 85 | Confident | 85 Ų | 85 | 53.1 Ų | 53.1 | 45% | 0.445 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.6 | -47.9 | 175.7 | 178.2 | 63.5 | 0 | 0 | 0 | 110.6 | L339 E340 G345 L346 L347 | L339-L343 WeakPolarHBondContact O-CB 3.47Å; L339-L343 PolarHBondContact O-N 3.44Å; E340-L343 WeakPolarHBondContact O-CB 3.3Å; E340-L343 PolarHBondContact O-N 3.28Å; L343-G345 VanDerWaalsContact C-N 3.31Å; L343-G345 PolarHBondContact O-N 3.44Å; L343-L346 PolarHBondContact O-N 2.84Å; L343-L347 HydrophobicContact CD1-CD1 4.09Å; L343-L347 HydrophobicContact CD1-CG 4.27Å; L343-L347 HydrophobicContact CG-CD1 3.91Å; L343-L347 HydrophobicContact CG-CG 4.46Å; L343-L347 WeakPolarHBondContact O-CG 3.24Å; L343-L347 PolarHBondContact O-N 3.38Å |
| 344 | L | 91.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.9 | -36.9 | 174.2 | -85.4 | 87.4 | 0 | 0 | 0 | 112.4 | L200 V204 L206 V214 E340 I342 L346 L347 V348 | L200-L344 HydrophobicContact CB-CD2 3.71Å; L200-L344 HydrophobicContact CB-CG 4.16Å; V204-L344 HydrophobicContact CB-CD1 3.62Å; V204-L344 HydrophobicContact CG1-CD1 3.61Å; V204-L344 HydrophobicContact CG2-CD1 3.54Å; L206-L344 HydrophobicContact CD1-CD1 4.11Å; L206-L344 HydrophobicContact CD1-CD2 3.61Å; L206-L344 HydrophobicContact CD1-CG 4.39Å; L206-L344 HydrophobicContact CG-CD1 4.43Å; V214-L344 HydrophobicContact CB-CD2 4.48Å; V214-L344 HydrophobicContact CG1-CD2 3.88Å; V214-L344 HydrophobicContact CG2-CD2 4.03Å; E340-L344 WeakPolarHBondContact O-CD1 3.41Å; E340-L344 PolarHBondContact O-N 3.26Å; I342-L344 PolarHBondContact O-N 2.83Å; L344-L346 PolarHBondContact O-N 2.84Å; L344-L347 PolarHBondContact O-N 3.16Å; L344-V348 WeakPolarHBondContact O-CB 3.38Å; L344-V348 VanDerWaalsContact O-CG2 3.26Å; L344-V348 WeakPolarHBondContact O-CG2 3.18Å; L344-V348 PolarHBondContact O-N 2.81Å |
| 345 | G | 91.5 | Very high | 88 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -52.7 | -39.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V341 I342 L343 P349 C411 | V341-G345 PolarHBondContact O-N 2.95Å; I342-G345 WeakPolarHBondContact O-CA 3.49Å; I342-G345 PolarHBondContact O-N 3.34Å; I342-G345 VanDerWaalsContact O-N 3.13Å; L343-G345 VanDerWaalsContact C-N 3.31Å; L343-G345 PolarHBondContact O-N 3.44Å; G345-P349 WeakPolarHBondContact O-CD 3.27Å; G345-P349 WeakPolarHBondContact O-CG 3.44Å; G345-C411 WeakPolarHBondContact O-CB 3.45Å |
| 346 | L | 93.3 | Very high | 89.5 | Confident | 90 Ų | 90 | 47.2 Ų | 47.2 | 47% | 0.471 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -80.6 | -41 | 176.3 | -162.7 | 79.7 | 0 | 0 | 0 | 112.3 | I342 L343 L344 P349 A350 E415 | I342-L346 PolarHBondContact O-N 2.85Å; L343-L346 PolarHBondContact O-N 2.84Å; L344-L346 PolarHBondContact O-N 2.84Å; L346-P349 WeakPolarHBondContact O-CD 3.39Å; L346-A350 VanDerWaalsContact O-CB 3.23Å; L346-A350 WeakPolarHBondContact O-CB 3.46Å; L346-A350 PolarHBondContact O-N 2.92Å; L346-E415 WeakPolarHBondContact CA-OE1 3.42Å; L346-E415 HydrophobicContact CD1-CG 4.06Å; L346-E415 WeakPolarHBondContact CD1-OE1 3.16Å; L346-E415 WeakPolarHBondContact CG-OE1 3.41Å |
| 347 | L | 95.8 | Very high | 91.1 | Very high | 60 Ų | 60 | 49.6 Ų | 49.6 | 31% | 0.314 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.4 | -40 | -175.9 | -73.2 | 174.2 | 0 | 0 | 0 | 113 | L200 L343 L344 A350 L351 | L200-L347 HydrophobicContact CD1-CB 4.18Å; L200-L347 HydrophobicContact CD2-CD1 4.17Å; L343-L347 HydrophobicContact CD1-CD1 4.09Å; L343-L347 HydrophobicContact CD1-CG 4.27Å; L343-L347 HydrophobicContact CG-CD1 3.91Å; L343-L347 HydrophobicContact CG-CG 4.46Å; L343-L347 WeakPolarHBondContact O-CG 3.24Å; L343-L347 PolarHBondContact O-N 3.38Å; L344-L347 PolarHBondContact O-N 3.16Å; L347-A350 PolarHBondContact O-N 2.82Å; L347-L351 VanDerWaalsContact O-CB 3.27Å; L347-L351 WeakPolarHBondContact O-CB 3.26Å; L347-L351 VanDerWaalsContact O-CG 3.22Å; L347-L351 WeakPolarHBondContact O-CG 3.49Å; L347-L351 PolarHBondContact O-N 3.47Å |
| 348 | V | 95.7 | Very high | 93 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.8 | -58.7 | -178.1 | 168.2 | 0 | 0 | 0 | 0 | 112.3 | M193 L200 V214 L344 A350 L351 G352 V408 | M193-V348 HydrophobicContact CE-CG1 3.73Å; M193-V348 VanDerWaalsContact CE-O 3.3Å; M193-V348 WeakPolarHBondContact CE-O 3.44Å; L200-V348 HydrophobicContact CD1-CG2 4.38Å; V214-V348 HydrophobicContact CG1-CG2 4.27Å; L344-V348 WeakPolarHBondContact O-CB 3.38Å; L344-V348 VanDerWaalsContact O-CG2 3.26Å; L344-V348 WeakPolarHBondContact O-CG2 3.18Å; L344-V348 PolarHBondContact O-N 2.81Å; V348-A350 PolarHBondContact O-N 3.22Å; V348-L351 PolarHBondContact O-N 2.99Å; V348-G352 PolarHBondContact O-N 3.08Å; V348-G352 VanDerWaalsContact O-N 3.08Å; V348-V408 HydrophobicContact CB-CG1 4.38Å; V348-V408 HydrophobicContact CB-CG2 4.39Å; V348-V408 HydrophobicContact CG1-CG1 3.96Å |
| 349 | P | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.1 | -40.2 | 178.5 | 25 | -33.2 | 0 | 0 | 0 | 112.1 | G345 L346 L351 G352 L353 G378 E415 | G345-P349 WeakPolarHBondContact O-CD 3.27Å; G345-P349 WeakPolarHBondContact O-CG 3.44Å; L346-P349 WeakPolarHBondContact O-CD 3.39Å; P349-L351 PolarHBondContact O-N 2.94Å; P349-G352 PolarHBondContact O-N 3.03Å; P349-L353 VanDerWaalsContact O-CG 3.26Å; P349-L353 WeakPolarHBondContact O-CG 3.26Å; P349-L353 PolarHBondContact O-N 3.42Å; P349-G378 WeakPolarHBondContact CA-O 3.39Å; P349-E415 WeakPolarHBondContact CB-OE2 3.42Å; P349-E415 WeakPolarHBondContact CG-OE1 3.23Å; P349-E415 WeakPolarHBondContact CG-OE2 3.29Å |
| 350 | A | 96.6 | Very high | 94.7 | Very high | 40 Ų | 40 | 39.7 Ų | 39.7 | 33% | 0.331 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.8 | -43.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L346 L347 V348 L353 L354 E415 | L346-A350 VanDerWaalsContact O-CB 3.23Å; L346-A350 WeakPolarHBondContact O-CB 3.46Å; L346-A350 PolarHBondContact O-N 2.92Å; L347-A350 PolarHBondContact O-N 2.82Å; V348-A350 PolarHBondContact O-N 3.22Å; A350-L353 PolarHBondContact O-N 2.85Å; A350-L354 VanDerWaalsContact O-CB 3.3Å; A350-L354 WeakPolarHBondContact O-CB 3.26Å; A350-L354 PolarHBondContact O-N 3.01Å; A350-E415 PolarHBondContact N-OE2 3.28Å |
| 351 | L | 97.3 | Very high | 95.1 | Very high | 38 Ų | 38 | 40.1 Ų | 40.1 | 20% | 0.199 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.5 | -44 | 176.1 | -76.7 | 177.7 | 0 | 0 | 0 | 111.8 | C196 L200 L347 V348 P349 L353 L354 F355 | C196-L351 HydrophobicContact CB-CD1 4.48Å; L200-L351 HydrophobicContact CD1-CD1 3.72Å; L347-L351 VanDerWaalsContact O-CB 3.27Å; L347-L351 WeakPolarHBondContact O-CB 3.26Å; L347-L351 VanDerWaalsContact O-CG 3.22Å; L347-L351 WeakPolarHBondContact O-CG 3.49Å; L347-L351 PolarHBondContact O-N 3.47Å; V348-L351 PolarHBondContact O-N 2.99Å; P349-L351 PolarHBondContact O-N 2.94Å; L351-L353 VanDerWaalsContact C-N 3.33Å; L351-L353 PolarHBondContact O-N 2.91Å; L351-L354 PolarHBondContact O-N 3.4Å; L351-F355 HydrophobicContact CB-CD2 4.28Å; L351-F355 HydrophobicContact CB-CE2 3.9Å; L351-F355 HydrophobicContact CD2-CE2 4.18Å; L351-F355 HydrophobicContact CD2-CZ 3.97Å; L351-F355 HydrophobicContact CG-CE2 4.46Å; L351-F355 WeakPolarHBondContact O-CB 3.32Å; L351-F355 WeakPolarHBondContact O-CD2 3.29Å; L351-F355 VanDerWaalsContact O-CG 3.28Å; L351-F355 WeakPolarHBondContact O-CG 3.38Å; L351-F355 PolarHBondContact O-N 3.25Å |
| 352 | G | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.9 | -41.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M193 V348 P349 G356 S377 | M193-G352 VanDerWaalsContact SD-CA 3.56Å; V348-G352 PolarHBondContact O-N 3.08Å; V348-G352 VanDerWaalsContact O-N 3.08Å; P349-G352 PolarHBondContact O-N 3.03Å; G352-G356 PolarHBondContact O-N 3.47Å; G352-S377 WeakPolarHBondContact O-CB 3.34Å |
| 353 | L | 96.9 | Very high | 95.9 | Very high | 25 Ų | 25 | 46.1 Ų | 46.1 | 13% | 0.131 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 172.6 | -67 | 164.1 | 0 | 0 | 0 | 111.5 | P349 A350 L351 Y357 A374 I375 M416 I419 | P349-L353 VanDerWaalsContact O-CG 3.26Å; P349-L353 WeakPolarHBondContact O-CG 3.26Å; P349-L353 PolarHBondContact O-N 3.42Å; A350-L353 PolarHBondContact O-N 2.85Å; L351-L353 VanDerWaalsContact C-N 3.33Å; L351-L353 PolarHBondContact O-N 2.91Å; L353-Y357 VanDerWaalsContact O-CB 3.3Å; L353-Y357 WeakPolarHBondContact O-CB 3.15Å; L353-Y357 PolarHBondContact O-N 3.34Å; L353-A374 HydrophobicContact CD2-CB 4.48Å; L353-A374 WeakPolarHBondContact O-CB 3.23Å; L353-I375 HydrophobicContact CD2-CG1 4.48Å; L353-M416 HydrophobicContact CD1-CE 3.27Å; L353-M416 HydrophobicContact CD2-CE 3.44Å; L353-M416 VanDerWaalsContact CD2-CE 3.44Å; L353-M416 HydrophobicContact CD2-SD 4.45Å; L353-M416 HydrophobicContact CG-CE 3.88Å; L353-I419 HydrophobicContact CD1-CD1 3.87Å |
| 354 | L | 97.6 | Very high | 96.2 | Very high | 97 Ų | 97 | 49.6 Ų | 49.6 | 51% | 0.508 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.7 | -50.5 | -178.7 | 178.5 | 64.2 | 0 | 0 | 0 | 111.4 | A350 L351 S358 | A350-L354 VanDerWaalsContact O-CB 3.3Å; A350-L354 WeakPolarHBondContact O-CB 3.26Å; A350-L354 PolarHBondContact O-N 3.01Å; L351-L354 PolarHBondContact O-N 3.4Å; L354-S358 WeakPolarHBondContact O-CB 3.42Å; L354-S358 PolarHBondContact O-N 3.45Å; L354-S358 PolarHBondContact O-OG 2.83Å |
| 355 | F | 97.7 | Very high | 96.3 | Very high | 44 Ų | 44 | 50.9 Ų | 50.9 | 19% | 0.193 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.8 | -46.1 | 179.4 | -63.7 | -39.8 | 0 | 0 | 0 | 111.3 | I188 L192 C196 L351 Y357 S358 F359 | I188-F355 HydrophobicContact CG2-CB 4.3Å; L192-F355 HydrophobicContact CD2-CB 3.76Å; L192-F355 HydrophobicContact CD2-CD1 4.01Å; L192-F355 HydrophobicContact CD2-CD2 3.41Å; L192-F355 VanDerWaalsContact CD2-CD2 3.41Å; L192-F355 HydrophobicContact CD2-CE1 4.47Å; L192-F355 HydrophobicContact CD2-CE2 3.92Å; L192-F355 HydrophobicContact CD2-CG 3.46Å; L192-F355 VanDerWaalsContact CD2-CG 3.46Å; L192-F355 HydrophobicContact CD2-CZ 4.42Å; L192-F355 HydrophobicContact CG-CD2 3.92Å; L192-F355 HydrophobicContact CG-CE2 4.05Å; L192-F355 HydrophobicContact CG-CG 4.44Å; C196-F355 VanDerWaalsContact SG-CE2 3.55Å; L351-F355 HydrophobicContact CB-CD2 4.28Å; L351-F355 HydrophobicContact CB-CE2 3.9Å; L351-F355 HydrophobicContact CD2-CE2 4.18Å; L351-F355 HydrophobicContact CD2-CZ 3.97Å; L351-F355 HydrophobicContact CG-CE2 4.46Å; L351-F355 WeakPolarHBondContact O-CB 3.32Å; L351-F355 WeakPolarHBondContact O-CD2 3.29Å; L351-F355 VanDerWaalsContact O-CG 3.28Å; L351-F355 WeakPolarHBondContact O-CG 3.38Å; L351-F355 PolarHBondContact O-N 3.25Å; F355-Y357 PolarHBondContact O-N 3.06Å; F355-S358 PolarHBondContact O-N 2.61Å; F355-F359 WeakPolarHBondContact O-CB 3.25Å; F355-F359 WeakPolarHBondContact O-CG 3.34Å; F355-F359 PolarHBondContact O-N 2.84Å |
| 356 | G | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.6 | -44 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G352 A360 | G352-G356 PolarHBondContact O-N 3.47Å; G356-A360 WeakPolarHBondContact O-CB 3.3Å; G356-A360 PolarHBondContact O-N 3.34Å |
| 357 | Y | 97.8 | Very high | 96.7 | Very high | 94 Ų | 94 | 54.4 Ų | 54.4 | 37% | 0.369 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.5 | -48 | 176.2 | -173.2 | -98.8 | 0 | 0 | 0 | 111.8 | L353 F355 K361 L367 C370 | L353-Y357 VanDerWaalsContact O-CB 3.3Å; L353-Y357 WeakPolarHBondContact O-CB 3.15Å; L353-Y357 PolarHBondContact O-N 3.34Å; F355-Y357 PolarHBondContact O-N 3.06Å; Y357-K361 WeakPolarHBondContact O-CB 3.47Å; Y357-K361 PolarHBondContact O-N 2.89Å; Y357-L367 HydrophobicContact CE2-CD1 4.21Å; Y357-C370 HydrophobicContact CD2-CB 3.99Å; Y357-C370 HydrophobicContact CE2-CB 3.98Å |
| 358 | S | 97.6 | Very high | 96.7 | Very high | 45 Ų | 45 | 54.3 Ų | 54.3 | 32% | 0.315 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.4 | -47.5 | -174.2 | -58.5 | 0 | 0 | 0 | 0 | 111.3 | L354 F355 K361 V362 | L354-S358 WeakPolarHBondContact O-CB 3.42Å; L354-S358 PolarHBondContact O-N 3.45Å; L354-S358 PolarHBondContact O-OG 2.83Å; F355-S358 PolarHBondContact O-N 2.61Å; S358-K361 PolarHBondContact O-N 3.43Å; S358-V362 VanDerWaalsContact O-CG2 3.3Å; S358-V362 WeakPolarHBondContact O-CG2 3.48Å; S358-V362 PolarHBondContact O-N 3.49Å |
| 359 | F | 97.6 | Very high | 96.7 | Very high | 82 Ų | 82 | 55.2 Ų | 55.2 | 36% | 0.36 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.8 | -42 | -179.8 | -69.9 | 1.3 | 0 | 0 | 0 | 111.5 | L184 I188 L192 F355 K361 V362 C363 | L184-F359 HydrophobicContact CD2-CB 4.34Å; I188-F359 HydrophobicContact CD1-CB 4.38Å; I188-F359 HydrophobicContact CD1-CD2 3.87Å; I188-F359 HydrophobicContact CD1-CG 4.48Å; I188-F359 HydrophobicContact CG1-CD2 3.9Å; I188-F359 HydrophobicContact CG1-CE2 4.29Å; L192-F359 HydrophobicContact CD2-CE2 3.73Å; L192-F359 HydrophobicContact CD2-CZ 3.98Å; F355-F359 WeakPolarHBondContact O-CB 3.25Å; F355-F359 WeakPolarHBondContact O-CG 3.34Å; F355-F359 PolarHBondContact O-N 2.84Å; F359-K361 PolarHBondContact O-N 2.97Å; F359-V362 PolarHBondContact O-N 3.31Å; F359-C363 WeakPolarHBondContact O-CB 3.46Å; F359-C363 PolarHBondContact O-N 3.11Å; F359-C363 PolarHBondContact O-SG 2.99Å; F359-C363 VanDerWaalsContact O-SG 3.38Å |
| 360 | A | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.7 | -36.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G356 C363 M364 L365 C370 V373 | G356-A360 WeakPolarHBondContact O-CB 3.3Å; G356-A360 PolarHBondContact O-N 3.34Å; A360-C363 PolarHBondContact O-N 3.35Å; A360-M364 PolarHBondContact O-N 3.01Å; A360-L365 HydrophobicContact CB-CD1 3.95Å; A360-L365 WeakPolarHBondContact O-CB 3.31Å; A360-L365 WeakPolarHBondContact O-CG 3.31Å; A360-L365 PolarHBondContact O-N 2.99Å; A360-C370 HydrophobicContact CB-CB 4.01Å; A360-V373 HydrophobicContact CB-CB 4.03Å; A360-V373 HydrophobicContact CB-CG1 4.18Å; A360-V373 HydrophobicContact CB-CG2 4.33Å |
| 361 | K | 96.9 | Very high | 96.9 | Very high | 103 Ų | 103 | 55.1 Ų | 55.1 | 45% | 0.448 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -71.7 | -40.5 | 178 | -170.8 | 63.9 | -177.9 | 170.3 | 0 | 112.7 | Y357 S358 F359 C363 M364 | Y357-K361 WeakPolarHBondContact O-CB 3.47Å; Y357-K361 PolarHBondContact O-N 2.89Å; S358-K361 PolarHBondContact O-N 3.43Å; F359-K361 PolarHBondContact O-N 2.97Å; K361-C363 VanDerWaalsContact C-N 3.27Å; K361-C363 PolarHBondContact O-N 3.44Å; K361-M364 WeakPolarHBondContact O-CA 3.3Å; K361-M364 PolarHBondContact O-N 3.22Å |
| 362 | V | 97.4 | Very high | 96.8 | Very high | 113 Ų | 113 | 53.3 Ų | 53.3 | 69% | 0.685 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.3 | -38.7 | 173.7 | 168.8 | 0 | 0 | 0 | 0 | 110.6 | S358 F359 M364 | S358-V362 VanDerWaalsContact O-CG2 3.3Å; S358-V362 WeakPolarHBondContact O-CG2 3.48Å; S358-V362 PolarHBondContact O-N 3.49Å; F359-V362 PolarHBondContact O-N 3.31Å; V362-M364 PolarHBondContact O-N 3.47Å; V362-M364 VanDerWaalsContact O-N 3.13Å |
| 363 | C | 96.1 | Very high | 96.8 | Very high | 50 Ų | 50 | 53.3 Ų | 53.3 | 34% | 0.338 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 8.3 | 171.8 | -67.1 | 0 | 0 | 0 | 0 | 114.3 | L180 L184 F359 A360 K361 L365 | L180-C363 HydrophobicContact CD2-CB 4.02Å; L184-C363 HydrophobicContact CD1-CB 4.19Å; F359-C363 WeakPolarHBondContact O-CB 3.46Å; F359-C363 PolarHBondContact O-N 3.11Å; F359-C363 PolarHBondContact O-SG 2.99Å; F359-C363 VanDerWaalsContact O-SG 3.38Å; A360-C363 PolarHBondContact O-N 3.35Å; K361-C363 VanDerWaalsContact C-N 3.27Å; K361-C363 PolarHBondContact O-N 3.44Å; C363-L365 HydrophobicContact CB-CD1 4.46Å; C363-L365 HydrophobicContact CB-CG 4.15Å; C363-L365 PolarHBondContact O-N 3.17Å |
| 364 | M | 95.9 | Very high | 96.8 | Very high | 159 Ų | 159 | 52.4 Ų | 52.4 | 78% | 0.783 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 33.3 | 177.3 | -60 | -65.4 | -177.9 | 0 | 0 | 114.1 | A360 K361 V362 | A360-M364 PolarHBondContact O-N 3.01Å; K361-M364 WeakPolarHBondContact O-CA 3.3Å; K361-M364 PolarHBondContact O-N 3.22Å; V362-M364 PolarHBondContact O-N 3.47Å; V362-M364 VanDerWaalsContact O-N 3.13Å |
| 365 | L | 95.6 | Very high | 96.8 | Very high | 26 Ų | 26 | 48 Ų | 48 | 14% | 0.136 | 25% | 0.254 | C | S | . | . | trans | -72.8 | 153.2 | 178.6 | -62.6 | 177.2 | 0 | 0 | 0 | 111.7 | L180 P181 L184 A360 C363 V369 C370 | L180-L365 HydrophobicContact CD2-CD2 4.22Å; P181-L365 HydrophobicContact CB-CD1 4.3Å; P181-L365 HydrophobicContact CG-CD1 4.03Å; P181-L365 HydrophobicContact CG-CD2 4.45Å; L184-L365 HydrophobicContact CD1-CD1 3.93Å; A360-L365 HydrophobicContact CB-CD1 3.95Å; A360-L365 WeakPolarHBondContact O-CB 3.31Å; A360-L365 WeakPolarHBondContact O-CG 3.31Å; A360-L365 PolarHBondContact O-N 2.99Å; C363-L365 HydrophobicContact CB-CD1 4.46Å; C363-L365 HydrophobicContact CB-CG 4.15Å; C363-L365 PolarHBondContact O-N 3.17Å; L365-V369 HydrophobicContact CB-CB 4.29Å; L365-V369 HydrophobicContact CB-CG1 3.93Å; L365-V369 HydrophobicContact CD1-CG1 3.81Å; L365-V369 HydrophobicContact CG-CG1 4.33Å; L365-C370 PolarHBondContact O-SG 2.92Å | ||
| 366 | P | 95.8 | Very high | 96.7 | Very high | 76 Ų | 76 | 46 Ų | 46 | 49% | 0.494 | 25% | 0.245 | S | C | . | . | trans | -58.4 | 147.8 | 174.9 | -24.1 | 34 | 0 | 0 | 0 | 112 | P368 V369 C370 | P366-P368 VanDerWaalsContact C-CD 3.48Å; P366-V369 HydrophobicContact CB-CG2 4.35Å; P366-V369 HydrophobicContact CG-CG2 4.4Å; P366-V369 WeakPolarHBondContact O-CA 3.04Å; P366-V369 WeakPolarHBondContact O-CB 3.34Å; P366-V369 PolarHBondContact O-N 3.26Å; P366-C370 PolarHBondContact O-N 3.2Å | ||
| 367 | L | 96 | Very high | 96.6 | Very high | 89 Ų | 89 | 46 Ų | 46 | 47% | 0.466 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -52.9 | -42.7 | -176.9 | -179.2 | 65.6 | 0 | 0 | 0 | 114.3 | Y357 V369 C370 K371 | Y357-L367 HydrophobicContact CE2-CD1 4.21Å; L367-V369 VanDerWaalsContact C-N 3.26Å; L367-V369 PolarHBondContact O-N 3.34Å; L367-C370 PolarHBondContact O-N 3.41Å; L367-K371 HydrophobicContact CD1-CG 4.48Å; L367-K371 WeakPolarHBondContact O-CG 3.14Å; L367-K371 PolarHBondContact O-N 3.22Å |
| 368 | P | 96.2 | Very high | 96.4 | Very high | 58 Ų | 58 | 41.6 Ų | 41.6 | 38% | 0.377 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.8 | -36.2 | 176.2 | -23.7 | 35.1 | 0 | 0 | 0 | 113 | G235 D236 P366 T372 | G235-P368 WeakPolarHBondContact CA-O 3.3Å; D236-P368 PolarHBondContact N-O 3.04Å; P366-P368 VanDerWaalsContact C-CD 3.48Å; P368-T372 PolarHBondContact O-N 2.93Å; P368-T372 VanDerWaalsContact O-N 3.11Å; P368-T372 PolarHBondContact O-OG1 3.46Å; P368-T372 VanDerWaalsContact O-OG1 3.1Å |
| 369 | V | 96.2 | Very high | 96.2 | Very high | 20 Ų | 20 | 40.4 Ų | 40.4 | 12% | 0.121 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.4 | -44.1 | 177 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | P181 L239 L365 P366 L367 K371 T372 V373 | P181-V369 HydrophobicContact CB-CG1 3.91Å; P181-V369 HydrophobicContact CG-CG1 3.76Å; L239-V369 HydrophobicContact CD2-CB 4.24Å; L239-V369 HydrophobicContact CD2-CG1 3.66Å; L239-V369 HydrophobicContact CD2-CG2 4.18Å; L365-V369 HydrophobicContact CB-CB 4.29Å; L365-V369 HydrophobicContact CB-CG1 3.93Å; L365-V369 HydrophobicContact CD1-CG1 3.81Å; L365-V369 HydrophobicContact CG-CG1 4.33Å; P366-V369 HydrophobicContact CB-CG2 4.35Å; P366-V369 HydrophobicContact CG-CG2 4.4Å; P366-V369 WeakPolarHBondContact O-CA 3.04Å; P366-V369 WeakPolarHBondContact O-CB 3.34Å; P366-V369 PolarHBondContact O-N 3.26Å; L367-V369 VanDerWaalsContact C-N 3.26Å; L367-V369 PolarHBondContact O-N 3.34Å; V369-K371 VanDerWaalsContact C-N 3.31Å; V369-K371 PolarHBondContact O-N 2.99Å; V369-T372 PolarHBondContact O-N 2.95Å; V369-T372 VanDerWaalsContact O-N 3.15Å; V369-V373 HydrophobicContact CG1-CG2 4.3Å; V369-V373 WeakPolarHBondContact O-CG2 3.41Å; V369-V373 PolarHBondContact O-N 3.43Å |
| 370 | C | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.1 | -42.6 | 176.2 | -60.6 | 0 | 0 | 0 | 0 | 112.2 | Y357 A360 L365 P366 L367 V373 A374 | Y357-C370 HydrophobicContact CD2-CB 3.99Å; Y357-C370 HydrophobicContact CE2-CB 3.98Å; A360-C370 HydrophobicContact CB-CB 4.01Å; L365-C370 PolarHBondContact O-SG 2.92Å; P366-C370 PolarHBondContact O-N 3.2Å; L367-C370 PolarHBondContact O-N 3.41Å; C370-V373 PolarHBondContact O-N 3.16Å; C370-A374 WeakPolarHBondContact O-CB 3.33Å; C370-A374 PolarHBondContact O-N 3.36Å |
| 371 | K | 96.9 | Very high | 95.8 | Very high | 38 Ų | 38 | 37.9 Ų | 37.9 | 17% | 0.165 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61 | -44.8 | 175.1 | -70.6 | 175.9 | 178.9 | -180 | 0 | 111.3 | L233 L367 V369 A374 I375 Y423 | L233-K371 WeakPolarHBondContact O-CD 3.49Å; L233-K371 PolarHBondContact O-NZ 3.47Å; L367-K371 HydrophobicContact CD1-CG 4.48Å; L367-K371 WeakPolarHBondContact O-CG 3.14Å; L367-K371 PolarHBondContact O-N 3.22Å; V369-K371 VanDerWaalsContact C-N 3.31Å; V369-K371 PolarHBondContact O-N 2.99Å; K371-A374 WeakPolarHBondContact O-CB 3.46Å; K371-A374 PolarHBondContact O-N 2.93Å; K371-I375 WeakPolarHBondContact O-CD1 3.49Å; K371-I375 VanDerWaalsContact O-CG1 3.22Å; K371-I375 WeakPolarHBondContact O-CG1 3.5Å; K371-I375 PolarHBondContact O-N 2.94Å; K371-Y423 PolarHBondContact NZ-OH 3.09Å |
| 372 | T | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.3 | -48.1 | 178.3 | -65.8 | 0 | 0 | 0 | 0 | 112.2 | D236 L239 A240 M243 P368 V369 A374 I375 E376 | D236-T372 WeakPolarHBondContact CA-OG1 3.41Å; D236-T372 PolarHBondContact N-OG1 2.94Å; D236-T372 WeakPolarHBondContact O-CG2 3.49Å; D236-T372 PolarHBondContact O-OG1 3.46Å; L239-T372 HydrophobicContact CB-CG2 4.04Å; L239-T372 HydrophobicContact CD2-CG2 3.94Å; L239-T372 HydrophobicContact CG-CG2 3.85Å; A240-T372 HydrophobicContact CB-CG2 3.7Å; M243-T372 HydrophobicContact SD-CG2 4.12Å; P368-T372 PolarHBondContact O-N 2.93Å; P368-T372 VanDerWaalsContact O-N 3.11Å; P368-T372 PolarHBondContact O-OG1 3.46Å; P368-T372 VanDerWaalsContact O-OG1 3.1Å; V369-T372 PolarHBondContact O-N 2.95Å; V369-T372 VanDerWaalsContact O-N 3.15Å; T372-A374 VanDerWaalsContact C-N 3.29Å; T372-A374 PolarHBondContact O-N 3.12Å; T372-I375 PolarHBondContact O-N 3.18Å; T372-E376 HydrophobicContact CG2-CG 4.36Å; T372-E376 WeakPolarHBondContact O-CB 3.37Å; T372-E376 WeakPolarHBondContact O-CG 3.27Å; T372-E376 PolarHBondContact O-N 3.17Å |
| 373 | V | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62 | -39.8 | 178.9 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | P181 L184 M243 A360 V369 C370 S377 | P181-V373 HydrophobicContact CB-CG2 3.84Å; L184-V373 HydrophobicContact CB-CG1 4.44Å; M243-V373 HydrophobicContact CE-CB 4.37Å; M243-V373 HydrophobicContact CE-CG1 4.32Å; M243-V373 HydrophobicContact CE-CG2 4.07Å; M243-V373 HydrophobicContact SD-CG2 4.01Å; A360-V373 HydrophobicContact CB-CB 4.03Å; A360-V373 HydrophobicContact CB-CG1 4.18Å; A360-V373 HydrophobicContact CB-CG2 4.33Å; V369-V373 HydrophobicContact CG1-CG2 4.3Å; V369-V373 WeakPolarHBondContact O-CG2 3.41Å; V369-V373 PolarHBondContact O-N 3.43Å; C370-V373 PolarHBondContact O-N 3.16Å; V373-S377 WeakPolarHBondContact O-CB 3.41Å; V373-S377 PolarHBondContact O-N 2.71Å; V373-S377 PolarHBondContact O-OG 3.03Å |
| 374 | A | 97.3 | Very high | 94.9 | Very high | 7 Ų | 7 | 30.6 Ų | 30.6 | 6% | 0.058 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.1 | -54.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L353 C370 K371 T372 E376 S377 G378 | L353-A374 HydrophobicContact CD2-CB 4.48Å; L353-A374 WeakPolarHBondContact O-CB 3.23Å; C370-A374 WeakPolarHBondContact O-CB 3.33Å; C370-A374 PolarHBondContact O-N 3.36Å; K371-A374 WeakPolarHBondContact O-CB 3.46Å; K371-A374 PolarHBondContact O-N 2.93Å; T372-A374 VanDerWaalsContact C-N 3.29Å; T372-A374 PolarHBondContact O-N 3.12Å; A374-E376 PolarHBondContact O-N 2.87Å; A374-S377 PolarHBondContact O-N 2.85Å; A374-S377 VanDerWaalsContact O-N 3.17Å; A374-G378 PolarHBondContact O-N 2.77Å |
| 375 | I | 96.4 | Very high | 94.8 | Very high | 5 Ų | 5 | 23 Ų | 23 | 3% | 0.026 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61 | -47.7 | -177 | -68 | 163.5 | 0 | 0 | 0 | 110.8 | G226 F229 A230 L233 L353 K371 T372 S377 G378 M379 | G226-I375 WeakPolarHBondContact O-CG2 3.28Å; F229-I375 HydrophobicContact CB-CG2 4.02Å; A230-I375 HydrophobicContact CB-CD1 4.16Å; L233-I375 HydrophobicContact CB-CD1 4.4Å; L233-I375 HydrophobicContact CD1-CD1 3.8Å; L233-I375 HydrophobicContact CD1-CG1 4.47Å; L353-I375 HydrophobicContact CD2-CG1 4.48Å; K371-I375 WeakPolarHBondContact O-CD1 3.49Å; K371-I375 VanDerWaalsContact O-CG1 3.22Å; K371-I375 WeakPolarHBondContact O-CG1 3.5Å; K371-I375 PolarHBondContact O-N 2.94Å; T372-I375 PolarHBondContact O-N 3.18Å; I375-S377 PolarHBondContact O-N 2.94Å; I375-G378 PolarHBondContact O-N 3.2Å; I375-M379 HydrophobicContact CG2-CG 4.12Å; I375-M379 HydrophobicContact CG2-SD 4.04Å; I375-M379 WeakPolarHBondContact O-CB 3Å; I375-M379 WeakPolarHBondContact O-CG 3.41Å; I375-M379 PolarHBondContact O-N 2.77Å |
| 376 | E | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.8 | -27.5 | 179.2 | -71.9 | -64.9 | 123.9 | 0 | 0 | 112.7 | Q189 G226 A240 M243 T244 T372 A374 | Q189-E376 PolarHBondContact NE2-O 3.33Å; G226-E376 WeakPolarHBondContact CA-OE1 3.48Å; A240-E376 HydrophobicContact CB-CG 4.25Å; M243-E376 HydrophobicContact CB-CB 4.39Å; M243-E376 HydrophobicContact CB-CG 4.01Å; M243-E376 HydrophobicContact CE-CB 3.98Å; M243-E376 HydrophobicContact SD-CB 4.38Å; M243-E376 HydrophobicContact SD-CG 4.31Å; T244-E376 PolarHBondContact N-OE2 3.36Å; T244-E376 VanDerWaalsContact OG1-CD 3.28Å; T244-E376 PolarHBondContact OG1-OE1 2.72Å; T244-E376 PolarHBondContact OG1-OE2 3.37Å; T372-E376 HydrophobicContact CG2-CG 4.36Å; T372-E376 WeakPolarHBondContact O-CB 3.37Å; T372-E376 WeakPolarHBondContact O-CG 3.27Å; T372-E376 PolarHBondContact O-N 3.17Å; A374-E376 PolarHBondContact O-N 2.87Å |
| 377 | S | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -80.4 | -35.3 | 177.2 | -60.2 | 0 | 0 | 0 | 0 | 113 | G352 V373 A374 I375 L380 | G352-S377 WeakPolarHBondContact O-CB 3.34Å; V373-S377 WeakPolarHBondContact O-CB 3.41Å; V373-S377 PolarHBondContact O-N 2.71Å; V373-S377 PolarHBondContact O-OG 3.03Å; A374-S377 PolarHBondContact O-N 2.85Å; A374-S377 VanDerWaalsContact O-N 3.17Å; I375-S377 PolarHBondContact O-N 2.94Å; S377-L380 WeakPolarHBondContact O-CD2 3.27Å |
| 378 | G | 93.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -87 | -30.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | P349 A374 I375 L380 | P349-G378 WeakPolarHBondContact CA-O 3.39Å; A374-G378 PolarHBondContact O-N 2.77Å; I375-G378 PolarHBondContact O-N 3.2Å; G378-L380 PolarHBondContact O-N 3.24Å |
| 379 | M | 92.8 | Very high | 93.6 | Very high | 20 Ų | 20 | 14.6 Ų | 14.6 | 10% | 0.099 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -90.4 | 80.4 | 177.3 | -64.1 | -153.7 | 77.4 | 0 | 0 | 110.6 | G223 F229 I375 M416 | G223-M379 WeakPolarHBondContact CA-O 3.44Å; G223-M379 PolarHBondContact N-O 3.01Å; F229-M379 HydrophobicContact CB-SD 4.22Å; F229-M379 HydrophobicContact CD2-CE 3.71Å; F229-M379 HydrophobicContact CD2-SD 3.24Å; F229-M379 WeakPolarHBondContact CD2-SD 3.32Å; F229-M379 HydrophobicContact CE2-CE 3.55Å; F229-M379 HydrophobicContact CE2-SD 3.77Å; F229-M379 HydrophobicContact CG-SD 3.88Å; F229-M379 HydrophobicContact CZ-CE 4.42Å; I375-M379 HydrophobicContact CG2-CG 4.12Å; I375-M379 HydrophobicContact CG2-SD 4.04Å; I375-M379 WeakPolarHBondContact O-CB 3Å; I375-M379 WeakPolarHBondContact O-CG 3.41Å; I375-M379 PolarHBondContact O-N 2.77Å; M379-M416 HydrophobicContact CE-CG 3.88Å; M379-M416 HydrophobicContact CG-CG 4.03Å; M379-M416 HydrophobicContact CG-SD 4.09Å; M379-M416 HydrophobicContact SD-CG 3.56Å; M379-M416 VanDerWaalsContact SD-CG 3.56Å; M379-M416 HydrophobicContact SD-SD 3.92Å |
| 380 | L | 94.3 | Very high | 93.1 | Very high | 12 Ų | 12 | 17.1 Ų | 17.1 | 6% | 0.063 | 9% | 0.089 | C | C | . | . | B | Isolated β-bridge | trans | -77.7 | 157.3 | 174.8 | -55.7 | -177.8 | 0 | 0 | 0 | 111.4 | Q189 M193 T217 S377 G378 S382 | Q189-L380 HydrophobicContact CG-CD2 4.1Å; M193-L380 HydrophobicContact CB-CD1 4.37Å; M193-L380 HydrophobicContact CE-CD1 3.74Å; M193-L380 HydrophobicContact CG-CD1 4.47Å; T217-L380 WeakPolarHBondContact O-CD1 3.43Å; S377-L380 WeakPolarHBondContact O-CD2 3.27Å; G378-L380 PolarHBondContact O-N 3.24Å; L380-S382 VanDerWaalsContact C-N 3.28Å; L380-S382 PolarHBondContact O-N 2.85Å |
| 381 | N | 93.3 | Very high | 92.6 | Very high | 17 Ų | 17 | 22.7 Ų | 22.7 | 9% | 0.091 | 12% | 0.118 | C | C | . | . | trans | -80.1 | 71.5 | 178.5 | -166.4 | -8.5 | 0 | 0 | 0 | 112.1 | C220 P221 F383 L384 A385 | C220-N381 HydrophobicContact CB-CB 4.21Å; C220-N381 PolarHBondContact SG-O 2.94Å; C220-N381 VanDerWaalsContact SG-O 3.38Å; P221-N381 WeakPolarHBondContact O-CB 3.37Å; P221-N381 PolarHBondContact O-N 2.87Å; N381-F383 PolarHBondContact O-N 2.9Å; N381-L384 HydrophobicContact CB-CB 4.06Å; N381-L384 VanDerWaalsContact CG-CB 3.47Å; N381-L384 WeakPolarHBondContact O-CB 3.18Å; N381-L384 PolarHBondContact O-N 3.37Å; N381-L384 PolarHBondContact OD1-N 2.89Å; N381-A385 PolarHBondContact O-N 3.14Å | ||
| 382 | S | 91.7 | Very high | 92.1 | Very high | 5 Ų | 5 | 21.8 Ų | 21.8 | 4% | 0.035 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.9 | -27.6 | -177 | -45.4 | 0 | 0 | 0 | 0 | 114 | T217 L380 L384 A385 L386 P405 | T217-S382 WeakPolarHBondContact CG2-OG 3.39Å; L380-S382 VanDerWaalsContact C-N 3.28Å; L380-S382 PolarHBondContact O-N 2.85Å; S382-L384 VanDerWaalsContact C-N 3.3Å; S382-L384 PolarHBondContact O-N 3.27Å; S382-A385 WeakPolarHBondContact O-CB 3.34Å; S382-A385 PolarHBondContact O-N 2.59Å; S382-L386 PolarHBondContact O-N 2.74Å; S382-P405 WeakPolarHBondContact CB-O 3.37Å; S382-P405 WeakPolarHBondContact O-CB 3.43Å |
| 383 | F | 87.9 | Confident | 91.5 | Very high | 105 Ų | 105 | 22.7 Ų | 22.7 | 46% | 0.461 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -69 | -28.6 | 174.1 | -68 | -62.9 | 0 | 0 | 0 | 112.8 | T326 N381 L386 A387 A409 | T326-F383 WeakPolarHBondContact OG1-CZ 3.4Å; N381-F383 PolarHBondContact O-N 2.9Å; F383-L386 HydrophobicContact CD1-CD2 4.25Å; F383-A387 WeakPolarHBondContact O-CB 3.23Å; F383-A387 PolarHBondContact O-N 2.85Å; F383-A409 HydrophobicContact CZ-CB 4.35Å |
| 384 | L | 90.7 | Very high | 90.8 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.9 | -44.5 | 171.1 | 171.1 | 61.8 | 0 | 0 | 0 | 110.7 | P221 M255 T282 L283 I286 N381 S382 L386 A387 I388 | P221-L384 HydrophobicContact CG-CD2 3.92Å; M255-L384 HydrophobicContact SD-CD2 3.99Å; T282-L384 HydrophobicContact CG2-CD1 3.65Å; L283-L384 HydrophobicContact CD2-CD1 4.38Å; L283-L384 HydrophobicContact CD2-CD2 3.64Å; I286-L384 HydrophobicContact CD1-CD1 3.86Å; N381-L384 HydrophobicContact CB-CB 4.06Å; N381-L384 VanDerWaalsContact CG-CB 3.47Å; N381-L384 WeakPolarHBondContact O-CB 3.18Å; N381-L384 PolarHBondContact O-N 3.37Å; N381-L384 PolarHBondContact OD1-N 2.89Å; S382-L384 VanDerWaalsContact C-N 3.3Å; S382-L384 PolarHBondContact O-N 3.27Å; L384-L386 VanDerWaalsContact C-N 3.32Å; L384-L386 PolarHBondContact O-N 2.83Å; L384-A387 PolarHBondContact O-N 2.71Å; L384-I388 HydrophobicContact CD1-CD1 3.8Å; L384-I388 HydrophobicContact CD1-CG1 4.09Å; L384-I388 HydrophobicContact CG-CD1 3.97Å; L384-I388 VanDerWaalsContact O-CG1 3.31Å; L384-I388 WeakPolarHBondContact O-CG1 3.34Å; L384-I388 PolarHBondContact O-N 2.85Å |
| 385 | A | 93.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.3 | -47.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | M216 C220 N381 S382 A387 I388 I389 P405 | M216-A385 HydrophobicContact CB-CB 4.41Å; C220-A385 VanDerWaalsContact SG-CB 3.56Å; C220-A385 PolarHBondContact SG-N 3.38Å; N381-A385 PolarHBondContact O-N 3.14Å; S382-A385 WeakPolarHBondContact O-CB 3.34Å; S382-A385 PolarHBondContact O-N 2.59Å; A385-A387 PolarHBondContact O-N 3.03Å; A385-I388 PolarHBondContact O-N 3.08Å; A385-I389 WeakPolarHBondContact O-CB 3.43Å; A385-I389 VanDerWaalsContact O-CG1 3.31Å; A385-I389 WeakPolarHBondContact O-CG1 3.33Å; A385-I389 PolarHBondContact O-N 2.93Å; A385-P405 HydrophobicContact CB-CB 4.12Å |
| 386 | L | 89 | Confident | 89 | Confident | 35 Ų | 35 | 35.9 Ų | 35.9 | 18% | 0.183 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.4 | -49.6 | 176.2 | 179 | 66 | 0 | 0 | 0 | 111.7 | S382 F383 L384 I388 I389 Q390 S402 P405 F406 | S382-L386 PolarHBondContact O-N 2.74Å; F383-L386 HydrophobicContact CD1-CD2 4.25Å; L384-L386 VanDerWaalsContact C-N 3.32Å; L384-L386 PolarHBondContact O-N 2.83Å; L386-I388 PolarHBondContact O-N 2.84Å; L386-I389 PolarHBondContact O-N 3.23Å; L386-Q390 HydrophobicContact CD1-CG 4.12Å; L386-Q390 HydrophobicContact CG-CG 4.46Å; L386-Q390 WeakPolarHBondContact O-CB 3.42Å; L386-Q390 VanDerWaalsContact O-CG 3.27Å; L386-Q390 WeakPolarHBondContact O-CG 3.48Å; L386-Q390 PolarHBondContact O-N 2.83Å; L386-S402 VanDerWaalsContact CD1-OG 3.26Å; L386-S402 WeakPolarHBondContact CD1-OG 3.49Å; L386-P405 HydrophobicContact CB-CB 4.36Å; L386-P405 HydrophobicContact CB-CG 4.33Å; L386-P405 HydrophobicContact CD1-CG 4.39Å; L386-F406 HydrophobicContact CD2-CD2 4.49Å |
| 387 | A | 88.7 | Confident | 88.4 | Confident | 38 Ų | 38 | 39.6 Ų | 39.6 | 31% | 0.314 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.3 | -44.1 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | T282 F383 L384 A385 Q390 L391 | T282-A387 HydrophobicContact CG2-CB 3.98Å; F383-A387 WeakPolarHBondContact O-CB 3.23Å; F383-A387 PolarHBondContact O-N 2.85Å; L384-A387 PolarHBondContact O-N 2.71Å; A385-A387 PolarHBondContact O-N 3.03Å; A387-Q390 PolarHBondContact O-N 2.93Å; A387-L391 WeakPolarHBondContact O-CB 3.26Å; A387-L391 VanDerWaalsContact O-CG 3.24Å; A387-L391 WeakPolarHBondContact O-CG 2.84Å; A387-L391 PolarHBondContact O-N 2.81Å |
| 388 | I | 90.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62 | -46.2 | 177.9 | -68 | 168 | 0 | 0 | 0 | 110.5 | M216 M255 I274 I279 T282 L384 A385 L386 L391 S392 | M216-I388 HydrophobicContact CE-CG2 4.17Å; M255-I388 HydrophobicContact CE-CD1 3.47Å; M255-I388 VanDerWaalsContact CE-CD1 3.47Å; M255-I388 HydrophobicContact SD-CD1 4.41Å; I274-I388 HydrophobicContact CD1-CG2 3.69Å; I274-I388 HydrophobicContact CG2-CG2 3.98Å; I279-I388 HydrophobicContact CG1-CG2 3.73Å; I279-I388 HydrophobicContact CG2-CD1 4.21Å; T282-I388 HydrophobicContact CG2-CG1 3.93Å; L384-I388 HydrophobicContact CD1-CD1 3.8Å; L384-I388 HydrophobicContact CD1-CG1 4.09Å; L384-I388 HydrophobicContact CG-CD1 3.97Å; L384-I388 VanDerWaalsContact O-CG1 3.31Å; L384-I388 WeakPolarHBondContact O-CG1 3.34Å; L384-I388 PolarHBondContact O-N 2.85Å; A385-I388 PolarHBondContact O-N 3.08Å; L386-I388 PolarHBondContact O-N 2.84Å; I388-L391 PolarHBondContact O-N 2.85Å; I388-S392 WeakPolarHBondContact O-CB 3.49Å; I388-S392 PolarHBondContact O-N 2.81Å; I388-S392 PolarHBondContact O-OG 2.71Å |
| 389 | I | 90.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.9 | -48.1 | 179.4 | -72.3 | 166 | 0 | 0 | 0 | 110.6 | M216 A385 L386 L391 S392 F393 A398 A401 P405 | M216-I389 HydrophobicContact CB-CD1 4.21Å; A385-I389 WeakPolarHBondContact O-CB 3.43Å; A385-I389 VanDerWaalsContact O-CG1 3.31Å; A385-I389 WeakPolarHBondContact O-CG1 3.33Å; A385-I389 PolarHBondContact O-N 2.93Å; L386-I389 PolarHBondContact O-N 3.23Å; I389-L391 VanDerWaalsContact C-N 3.32Å; I389-L391 PolarHBondContact O-N 2.81Å; I389-S392 PolarHBondContact O-N 3.33Å; I389-S392 VanDerWaalsContact O-N 3.16Å; I389-F393 HydrophobicContact CG2-CD2 4.11Å; I389-F393 WeakPolarHBondContact O-CD2 3.33Å; I389-F393 PolarHBondContact O-N 2.99Å; I389-F393 VanDerWaalsContact O-N 3.16Å; I389-A398 HydrophobicContact CG2-CB 4.35Å; I389-A401 HydrophobicContact CD1-CB 4.47Å; I389-A401 HydrophobicContact CG2-CB 3.81Å; I389-P405 HydrophobicContact CD1-CG 4.16Å |
| 390 | Q | 86.3 | Confident | 86.8 | Confident | 72 Ų | 72 | 42.8 Ų | 42.8 | 34% | 0.336 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65 | -33.5 | -178.9 | -72 | -70.6 | -26.3 | 0 | 0 | 113.1 | L386 A387 S392 N399 S402 | L386-Q390 HydrophobicContact CD1-CG 4.12Å; L386-Q390 HydrophobicContact CG-CG 4.46Å; L386-Q390 WeakPolarHBondContact O-CB 3.42Å; L386-Q390 VanDerWaalsContact O-CG 3.27Å; L386-Q390 WeakPolarHBondContact O-CG 3.48Å; L386-Q390 PolarHBondContact O-N 2.83Å; A387-Q390 PolarHBondContact O-N 2.93Å; Q390-S392 VanDerWaalsContact C-N 3.35Å; Q390-N399 PolarHBondContact NE2-OD1 2.87Å; Q390-S402 PolarHBondContact NE2-OG 2.77Å |
| 391 | L | 86.8 | Confident | 86.5 | Confident | 117 Ų | 117 | 42.2 Ų | 42.2 | 61% | 0.613 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -80.8 | -15.6 | 176.4 | -69.1 | 171.1 | 0 | 0 | 0 | 113.4 | N278 T282 A387 I388 I389 | N278-L391 PolarHBondContact ND2-O 2.88Å; T282-L391 HydrophobicContact CG2-CD1 4.49Å; T282-L391 WeakPolarHBondContact OG1-CD1 3.46Å; A387-L391 WeakPolarHBondContact O-CB 3.26Å; A387-L391 VanDerWaalsContact O-CG 3.24Å; A387-L391 WeakPolarHBondContact O-CG 2.84Å; A387-L391 PolarHBondContact O-N 2.81Å; I388-L391 PolarHBondContact O-N 2.85Å; I389-L391 VanDerWaalsContact C-N 3.32Å; I389-L391 PolarHBondContact O-N 2.81Å |
| 392 | S | 85.9 | Confident | 86.2 | Confident | 19 Ų | 19 | 41.9 Ų | 41.9 | 13% | 0.133 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -106.3 | -17.6 | -170.6 | -56.5 | 0 | 0 | 0 | 0 | 114.6 | I274 N278 I388 I389 Q390 | I274-S392 WeakPolarHBondContact CG2-OG 3.27Å; N278-S392 WeakPolarHBondContact CB-OG 3.49Å; N278-S392 WeakPolarHBondContact ND2-CA 3.33Å; N278-S392 PolarHBondContact ND2-OG 3.3Å; I388-S392 WeakPolarHBondContact O-CB 3.49Å; I388-S392 PolarHBondContact O-N 2.81Å; I388-S392 PolarHBondContact O-OG 2.71Å; I389-S392 PolarHBondContact O-N 3.33Å; I389-S392 VanDerWaalsContact O-N 3.16Å; Q390-S392 VanDerWaalsContact C-N 3.35Å |
| 393 | F | 84.6 | Confident | 86 | Confident | 20 Ų | 20 | 41.7 Ų | 41.7 | 9% | 0.088 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -127.1 | 153.7 | -176.1 | -61.4 | -63.6 | 0 | 0 | 0 | 112.7 | F212 F272 I274 I389 K397 A398 | F212-F393 HydrophobicContact CD1-CE2 4.3Å; F212-F393 AromaticContact CE1-CE2 3.71Å; F212-F393 HydrophobicContact CE1-CE2 3.71Å; F212-F393 AromaticContact CE1-CZ 3.92Å; F212-F393 HydrophobicContact CE1-CZ 3.92Å; F212-F393 HydrophobicContact CZ-CZ 4.34Å; F272-F393 HydrophobicContact CB-CE1 4.31Å; F272-F393 HydrophobicContact CB-CZ 4.02Å; F272-F393 HydrophobicContact CD1-CD1 4.41Å; F272-F393 HydrophobicContact CD1-CD2 4.36Å; F272-F393 HydrophobicContact CD1-CE1 4.03Å; F272-F393 AromaticContact CD1-CE2 3.95Å; F272-F393 HydrophobicContact CD1-CE2 3.95Å; F272-F393 AromaticContact CD1-CZ 3.76Å; F272-F393 HydrophobicContact CD1-CZ 3.76Å; F272-F393 HydrophobicContact CG-CZ 4.37Å; I274-F393 HydrophobicContact CD1-CE2 4.11Å; I274-F393 HydrophobicContact CD1-CZ 4.41Å; I274-F393 HydrophobicContact CG1-CE2 3.6Å; I274-F393 HydrophobicContact CG1-CZ 3.47Å; I274-F393 VanDerWaalsContact CG1-CZ 3.47Å; I389-F393 HydrophobicContact CG2-CD2 4.11Å; I389-F393 WeakPolarHBondContact O-CD2 3.33Å; I389-F393 PolarHBondContact O-N 2.99Å; I389-F393 VanDerWaalsContact O-N 3.16Å; F393-K397 HydrophobicContact CB-CB 4.14Å; F393-A398 HydrophobicContact CB-CB 4.15Å |
| 394 | P | 82.4 | Confident | 86.1 | Confident | 86 Ų | 86 | 36.7 Ų | 36.7 | 56% | 0.558 | 20% | 0.203 | S | C | * | . | trans | -55.1 | 147.6 | 166.4 | -22.4 | 33 | 0 | 0 | 0 | 111.1 | S396 K397 A398 | P394-S396 PolarHBondContact O-N 3.42Å; P394-K397 PolarHBondContact O-N 3.17Å; P394-A398 WeakPolarHBondContact O-CB 3.47Å; P394-A398 PolarHBondContact O-N 3.21Å | ||
| 395 | Q | 77.6 | Confident | 86.1 | Confident | 117 Ų | 117 | 36.6 Ų | 36.6 | 55% | 0.547 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -54.5 | -35.6 | -169 | -166.6 | 158.9 | -1.1 | 0 | 0 | 114 | S141 N399 | S141-Q395 PolarHBondContact OG-NE2 3.05Å; S141-Q395 VanDerWaalsContact OG-NE2 3.16Å; Q395-N399 WeakPolarHBondContact O-CB 3.5Å; Q395-N399 PolarHBondContact O-N 3.07Å; Q395-N399 PolarHBondContact O-OD1 3.07Å |
| 396 | S | 77.6 | Confident | 85.8 | Confident | 86 Ų | 86 | 37.1 Ų | 37.1 | 60% | 0.601 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -61.6 | -51 | 176.1 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | P394 L400 | P394-S396 PolarHBondContact O-N 3.42Å; S396-L400 PolarHBondContact O-N 2.87Å |
| 397 | K | 82.1 | Confident | 85.8 | Confident | 77 Ų | 77 | 35.5 Ų | 35.5 | 34% | 0.335 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67.9 | -41 | 177.2 | -71.7 | -174.2 | 175.8 | -175.2 | 0 | 111.6 | T271 F272 F393 P394 N399 L400 A401 | T271-K397 PolarHBondContact O-NZ 3.37Å; F272-K397 HydrophobicContact CE1-CB 4.18Å; F272-K397 HydrophobicContact CZ-CB 4.37Å; F393-K397 HydrophobicContact CB-CB 4.14Å; P394-K397 PolarHBondContact O-N 3.17Å; K397-N399 VanDerWaalsContact C-N 3.34Å; K397-N399 PolarHBondContact O-N 3.4Å; K397-L400 PolarHBondContact O-N 3.49Å; K397-A401 PolarHBondContact O-N 3.03Å; K397-A401 VanDerWaalsContact O-N 3.08Å |
| 398 | A | 83.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.1 | -45.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I389 F393 P394 L400 A401 S402 | I389-A398 HydrophobicContact CG2-CB 4.35Å; F393-A398 HydrophobicContact CB-CB 4.15Å; P394-A398 WeakPolarHBondContact O-CB 3.47Å; P394-A398 PolarHBondContact O-N 3.21Å; A398-L400 PolarHBondContact O-N 3.09Å; A398-A401 PolarHBondContact O-N 2.68Å; A398-S402 WeakPolarHBondContact O-CB 3.38Å; A398-S402 PolarHBondContact O-N 2.82Å; A398-S402 PolarHBondContact O-OG 3.2Å |
| 399 | N | 82.3 | Confident | 85.8 | Confident | 28 Ų | 28 | 34.8 Ų | 34.8 | 15% | 0.15 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.1 | -44 | -180 | -72.4 | -0.5 | 0 | 0 | 0 | 112.2 | L138 Q390 Q395 K397 S402 V403 | L138-N399 PolarHBondContact O-ND2 3.24Å; L138-N399 VanDerWaalsContact O-ND2 3.17Å; Q390-N399 PolarHBondContact NE2-OD1 2.87Å; Q395-N399 WeakPolarHBondContact O-CB 3.5Å; Q395-N399 PolarHBondContact O-N 3.07Å; Q395-N399 PolarHBondContact O-OD1 3.07Å; K397-N399 VanDerWaalsContact C-N 3.34Å; K397-N399 PolarHBondContact O-N 3.4Å; N399-S402 PolarHBondContact O-N 3.05Å; N399-V403 WeakPolarHBondContact O-CG2 3.45Å |
| 400 | L | 84.8 | Confident | 85.7 | Confident | 62 Ų | 62 | 35.6 Ų | 35.6 | 33% | 0.325 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.3 | -46 | 176.7 | -69.7 | 170.5 | 0 | 0 | 0 | 112.2 | L138 A209 S396 K397 A398 S402 | L138-L400 HydrophobicContact CD1-CD2 3.56Å; L138-L400 HydrophobicContact CD2-CD2 4.35Å; A209-L400 HydrophobicContact CB-CB 3.69Å; S396-L400 PolarHBondContact O-N 2.87Å; K397-L400 PolarHBondContact O-N 3.49Å; A398-L400 PolarHBondContact O-N 3.09Å; L400-S402 VanDerWaalsContact C-N 3.32Å; L400-S402 PolarHBondContact O-N 2.99Å |
| 401 | A | 88.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.1 | -28.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A209 F272 I389 K397 A398 V403 P405 | A209-A401 HydrophobicContact CB-CB 4.29Å; A209-A401 VanDerWaalsContact O-CA 3.23Å; A209-A401 WeakPolarHBondContact O-CA 3.33Å; A209-A401 VanDerWaalsContact O-CB 3.23Å; A209-A401 WeakPolarHBondContact O-CB 3.44Å; F272-A401 HydrophobicContact CE1-CB 4.19Å; I389-A401 HydrophobicContact CD1-CB 4.47Å; I389-A401 HydrophobicContact CG2-CB 3.81Å; K397-A401 PolarHBondContact O-N 3.03Å; K397-A401 VanDerWaalsContact O-N 3.08Å; A398-A401 PolarHBondContact O-N 2.68Å; A401-V403 VanDerWaalsContact C-N 3.28Å; A401-V403 PolarHBondContact O-N 2.96Å; A401-P405 WeakPolarHBondContact O-CD 3.17Å |
| 402 | S | 87.2 | Confident | 86.1 | Confident | 10 Ų | 10 | 27.3 Ų | 27.3 | 7% | 0.07 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -71.9 | -17.9 | -176.9 | -67.7 | 0 | 0 | 0 | 0 | 114.2 | L386 Q390 A398 N399 L400 A404 P405 F406 | L386-S402 VanDerWaalsContact CD1-OG 3.26Å; L386-S402 WeakPolarHBondContact CD1-OG 3.49Å; Q390-S402 PolarHBondContact NE2-OG 2.77Å; A398-S402 WeakPolarHBondContact O-CB 3.38Å; A398-S402 PolarHBondContact O-N 2.82Å; A398-S402 PolarHBondContact O-OG 3.2Å; N399-S402 PolarHBondContact O-N 3.05Å; L400-S402 VanDerWaalsContact C-N 3.32Å; L400-S402 PolarHBondContact O-N 2.99Å; S402-A404 PolarHBondContact O-N 2.82Å; S402-P405 VanDerWaalsContact O-CD 3.3Å; S402-P405 WeakPolarHBondContact O-CD 3.29Å; S402-P405 WeakPolarHBondContact O-CG 3.05Å; S402-F406 VanDerWaalsContact O-CB 3.26Å; S402-F406 WeakPolarHBondContact O-CB 3.25Å; S402-F406 PolarHBondContact O-N 2.88Å |
| 403 | V | 86.3 | Confident | 86.2 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.7 | -41.2 | 176.2 | -174.7 | 0 | 0 | 0 | 0 | 110.7 | L138 F333 V341 N399 A401 T407 | L138-V403 HydrophobicContact CD2-CG2 3.68Å; F333-V403 HydrophobicContact CD1-CG1 3.89Å; F333-V403 HydrophobicContact CD1-CG2 4.29Å; F333-V403 HydrophobicContact CD2-CG1 4.45Å; F333-V403 HydrophobicContact CE1-CB 4.46Å; F333-V403 HydrophobicContact CE1-CG1 4.13Å; F333-V403 HydrophobicContact CE1-CG2 3.79Å; F333-V403 HydrophobicContact CG-CG1 4.08Å; F333-V403 HydrophobicContact CZ-CG1 4.5Å; F333-V403 HydrophobicContact CZ-CG2 4.17Å; V341-V403 HydrophobicContact CG1-CG1 4.12Å; N399-V403 WeakPolarHBondContact O-CG2 3.45Å; A401-V403 VanDerWaalsContact C-N 3.28Å; A401-V403 PolarHBondContact O-N 2.96Å; V403-T407 VanDerWaalsContact O-CB 3.29Å; V403-T407 WeakPolarHBondContact O-CB 3.18Å; V403-T407 PolarHBondContact O-N 2.91Å; V403-T407 PolarHBondContact O-OG1 2.69Å |
| 404 | A | 89.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.5 | -59.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | V214 V341 S402 F406 T407 V408 | V214-A404 HydrophobicContact CB-CB 4.42Å; V214-A404 HydrophobicContact CG2-CB 3.55Å; V341-A404 HydrophobicContact CG1-CB 4.47Å; S402-A404 PolarHBondContact O-N 2.82Å; A404-F406 PolarHBondContact O-N 3.02Å; A404-T407 PolarHBondContact O-N 3.15Å; A404-T407 VanDerWaalsContact O-N 3.16Å; A404-V408 WeakPolarHBondContact O-CG2 3.39Å; A404-V408 PolarHBondContact O-N 2.81Å |
| 405 | P | 91.3 | Very high | 86.9 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.8 | -36.1 | 178.9 | 18.6 | -30 | 0 | 0 | 0 | 112.1 | T217 S382 A385 L386 I389 A401 S402 A409 | T217-P405 WeakPolarHBondContact OG1-CA 3.35Å; T217-P405 VanDerWaalsContact OG1-CB 3.25Å; T217-P405 WeakPolarHBondContact OG1-CB 3.34Å; S382-P405 WeakPolarHBondContact CB-O 3.37Å; S382-P405 WeakPolarHBondContact O-CB 3.43Å; A385-P405 HydrophobicContact CB-CB 4.12Å; L386-P405 HydrophobicContact CB-CB 4.36Å; L386-P405 HydrophobicContact CB-CG 4.33Å; L386-P405 HydrophobicContact CD1-CG 4.39Å; I389-P405 HydrophobicContact CD1-CG 4.16Å; A401-P405 WeakPolarHBondContact O-CD 3.17Å; S402-P405 VanDerWaalsContact O-CD 3.3Å; S402-P405 WeakPolarHBondContact O-CD 3.29Å; S402-P405 WeakPolarHBondContact O-CG 3.05Å; P405-A409 WeakPolarHBondContact O-CB 3.32Å; P405-A409 PolarHBondContact O-N 3.06Å |
| 406 | F | 86.9 | Confident | 87.5 | Confident | 11 Ų | 11 | 19.8 Ų | 19.8 | 5% | 0.048 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.6 | -46.9 | 178.4 | -162.8 | -89.8 | 0 | 0 | 0 | 112.3 | M142 T326 V329 F333 L386 S402 A404 A409 M410 | M142-F406 HydrophobicContact CE-CE2 4.3Å; T326-F406 VanDerWaalsContact CA-CZ 3.41Å; T326-F406 HydrophobicContact CG2-CD1 4.44Å; T326-F406 HydrophobicContact CG2-CE1 4Å; T326-F406 HydrophobicContact CG2-CE2 4.45Å; T326-F406 HydrophobicContact CG2-CZ 4.04Å; T326-F406 WeakPolarHBondContact O-CE1 3.5Å; V329-F406 HydrophobicContact CB-CE1 3.43Å; V329-F406 VanDerWaalsContact CB-CE1 3.43Å; V329-F406 HydrophobicContact CB-CE2 4.38Å; V329-F406 HydrophobicContact CB-CZ 3.33Å; V329-F406 HydrophobicContact CG1-CD1 4.06Å; V329-F406 HydrophobicContact CG1-CE1 3.41Å; V329-F406 VanDerWaalsContact CG1-CE1 3.41Å; V329-F406 HydrophobicContact CG1-CE2 4.24Å; V329-F406 HydrophobicContact CG1-CZ 3.49Å; V329-F406 VanDerWaalsContact CG1-CZ 3.49Å; V329-F406 HydrophobicContact CG2-CZ 4.04Å; F333-F406 HydrophobicContact CD2-CD1 4Å; F333-F406 HydrophobicContact CE2-CB 4.44Å; F333-F406 AromaticContact CE2-CD1 3.7Å; F333-F406 HydrophobicContact CE2-CD1 3.7Å; F333-F406 HydrophobicContact CE2-CE1 4.26Å; F333-F406 HydrophobicContact CE2-CG 4.19Å; L386-F406 HydrophobicContact CD2-CD2 4.49Å; S402-F406 VanDerWaalsContact O-CB 3.26Å; S402-F406 WeakPolarHBondContact O-CB 3.25Å; S402-F406 PolarHBondContact O-N 2.88Å; A404-F406 PolarHBondContact O-N 3.02Å; F406-A409 WeakPolarHBondContact O-CB 3.09Å; F406-A409 PolarHBondContact O-N 2.59Å; F406-M410 PolarHBondContact O-N 2.84Å |
| 407 | T | 88.3 | Confident | 88.1 | Confident | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64 | -42.3 | 178.1 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | V341 I342 V403 A404 A409 M410 C411 | V341-T407 HydrophobicContact CG1-CG2 4.27Å; I342-T407 HydrophobicContact CG1-CG2 4.18Å; V403-T407 VanDerWaalsContact O-CB 3.29Å; V403-T407 WeakPolarHBondContact O-CB 3.18Å; V403-T407 PolarHBondContact O-N 2.91Å; V403-T407 PolarHBondContact O-OG1 2.69Å; A404-T407 PolarHBondContact O-N 3.15Å; A404-T407 VanDerWaalsContact O-N 3.16Å; T407-A409 VanDerWaalsContact C-N 3.33Å; T407-A409 PolarHBondContact O-N 2.51Å; T407-M410 WeakPolarHBondContact O-CB 3.4Å; T407-M410 PolarHBondContact O-N 2.94Å; T407-C411 WeakPolarHBondContact O-CB 3.46Å; T407-C411 PolarHBondContact O-N 2.84Å; T407-C411 PolarHBondContact O-SG 3.2Å |
| 408 | V | 91.3 | Very high | 88.6 | Confident | 4 Ų | 4 | 20.9 Ų | 20.9 | 2% | 0.024 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61 | -42.4 | 174.4 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | T217 V348 A404 M410 C411 S412 | T217-V408 HydrophobicContact CG2-CB 4Å; T217-V408 HydrophobicContact CG2-CG1 3.72Å; T217-V408 HydrophobicContact CG2-CG2 4.27Å; V348-V408 HydrophobicContact CB-CG1 4.38Å; V348-V408 HydrophobicContact CB-CG2 4.39Å; V348-V408 HydrophobicContact CG1-CG1 3.96Å; A404-V408 WeakPolarHBondContact O-CG2 3.39Å; A404-V408 PolarHBondContact O-N 2.81Å; V408-M410 VanDerWaalsContact C-N 3.34Å; V408-M410 PolarHBondContact O-N 2.68Å; V408-C411 PolarHBondContact O-N 2.79Å; V408-S412 WeakPolarHBondContact O-CB 3.49Å; V408-S412 PolarHBondContact O-N 3.44Å |
| 409 | A | 89.6 | Confident | 89.1 | Confident | 18 Ų | 18 | 24.2 Ų | 24.2 | 15% | 0.149 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.9 | -43.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T326 F383 P405 F406 T407 G413 | T326-A409 HydrophobicContact CG2-CB 4.08Å; F383-A409 HydrophobicContact CZ-CB 4.35Å; P405-A409 WeakPolarHBondContact O-CB 3.32Å; P405-A409 PolarHBondContact O-N 3.06Å; F406-A409 WeakPolarHBondContact O-CB 3.09Å; F406-A409 PolarHBondContact O-N 2.59Å; T407-A409 VanDerWaalsContact C-N 3.33Å; T407-A409 PolarHBondContact O-N 2.51Å; A409-G413 PolarHBondContact O-N 3.38Å; A409-G413 VanDerWaalsContact O-N 3.1Å |
| 410 | M | 87.4 | Confident | 89.6 | Confident | 17 Ų | 17 | 23.5 Ų | 23.5 | 8% | 0.084 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.3 | -55.8 | 177.1 | -171.8 | -172.9 | 57.5 | 0 | 0 | 110.9 | T326 G330 L334 F406 T407 V408 S412 G413 C414 | T326-M410 HydrophobicContact CG2-CB 3.66Å; T326-M410 HydrophobicContact CG2-CG 4.34Å; G330-M410 VanDerWaalsContact CA-SD 3.56Å; L334-M410 HydrophobicContact CD1-CE 4.42Å; F406-M410 PolarHBondContact O-N 2.84Å; T407-M410 WeakPolarHBondContact O-CB 3.4Å; T407-M410 PolarHBondContact O-N 2.94Å; V408-M410 VanDerWaalsContact C-N 3.34Å; V408-M410 PolarHBondContact O-N 2.68Å; M410-S412 PolarHBondContact O-N 3.41Å; M410-G413 PolarHBondContact O-N 3.19Å; M410-C414 PolarHBondContact O-N 2.97Å; M410-C414 PolarHBondContact O-SG 2.81Å |
| 411 | C | 89.9 | Confident | 90 | Very high | 9 Ų | 9 | 26 Ų | 26 | 6% | 0.061 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.8 | -42.8 | -176.5 | -71.8 | 0 | 0 | 0 | 0 | 111.6 | G345 T407 V408 G413 C414 E415 | G345-C411 WeakPolarHBondContact O-CB 3.45Å; T407-C411 WeakPolarHBondContact O-CB 3.46Å; T407-C411 PolarHBondContact O-N 2.84Å; T407-C411 PolarHBondContact O-SG 3.2Å; V408-C411 PolarHBondContact O-N 2.79Å; C411-G413 VanDerWaalsContact C-N 3.32Å; C411-G413 PolarHBondContact O-N 2.87Å; C411-C414 PolarHBondContact O-N 2.87Å; C411-E415 WeakPolarHBondContact O-CB 3.46Å; C411-E415 WeakPolarHBondContact O-CG 3.43Å; C411-E415 PolarHBondContact O-N 3.22Å |
| 412 | S | 91.3 | Very high | 90.2 | Very high | 7 Ų | 7 | 30.8 Ų | 30.8 | 5% | 0.049 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.5 | -44 | 174.8 | -175.7 | 0 | 0 | 0 | 0 | 112 | V408 M410 E415 M416 | V408-S412 WeakPolarHBondContact O-CB 3.49Å; V408-S412 PolarHBondContact O-N 3.44Å; M410-S412 PolarHBondContact O-N 3.41Å; S412-E415 PolarHBondContact O-N 3.07Å; S412-M416 WeakPolarHBondContact O-CB 3.26Å; S412-M416 VanDerWaalsContact O-CG 3.3Å; S412-M416 WeakPolarHBondContact O-CG 3.01Å; S412-M416 PolarHBondContact O-N 2.86Å |
| 413 | G | 88.1 | Confident | 90.5 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 12% | 0.124 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.6 | -46.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A409 M410 C411 M416 L417 | A409-G413 PolarHBondContact O-N 3.38Å; A409-G413 VanDerWaalsContact O-N 3.1Å; M410-G413 PolarHBondContact O-N 3.19Å; C411-G413 VanDerWaalsContact C-N 3.32Å; C411-G413 PolarHBondContact O-N 2.87Å; G413-M416 PolarHBondContact O-N 2.84Å; G413-L417 VanDerWaalsContact O-CG 3.31Å; G413-L417 WeakPolarHBondContact O-CG 3.35Å; G413-L417 PolarHBondContact O-N 3.48Å |
| 414 | C | 88.5 | Confident | 90.7 | Very high | 51 Ų | 51 | 38.2 Ų | 38.2 | 35% | 0.345 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61 | -47.2 | 177.2 | -70.5 | 0 | 0 | 0 | 0 | 112.1 | M410 C411 M416 L417 L418 | M410-C414 PolarHBondContact O-N 2.97Å; M410-C414 PolarHBondContact O-SG 2.81Å; C411-C414 PolarHBondContact O-N 2.87Å; C414-M416 PolarHBondContact O-N 3.29Å; C414-L417 PolarHBondContact O-N 3Å; C414-L418 WeakPolarHBondContact O-CG 3.48Å; C414-L418 PolarHBondContact O-N 3.35Å |
| 415 | E | 92.3 | Very high | 90.7 | Very high | 21 Ų | 21 | 40.7 Ų | 40.7 | 10% | 0.098 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.5 | -46 | 177.8 | -77.4 | 173.8 | -151.8 | 0 | 0 | 112 | L346 P349 A350 C411 S412 L417 L418 I419 | L346-E415 WeakPolarHBondContact CA-OE1 3.42Å; L346-E415 HydrophobicContact CD1-CG 4.06Å; L346-E415 WeakPolarHBondContact CD1-OE1 3.16Å; L346-E415 WeakPolarHBondContact CG-OE1 3.41Å; P349-E415 WeakPolarHBondContact CB-OE2 3.42Å; P349-E415 WeakPolarHBondContact CG-OE1 3.23Å; P349-E415 WeakPolarHBondContact CG-OE2 3.29Å; A350-E415 PolarHBondContact N-OE2 3.28Å; C411-E415 WeakPolarHBondContact O-CB 3.46Å; C411-E415 WeakPolarHBondContact O-CG 3.43Å; C411-E415 PolarHBondContact O-N 3.22Å; S412-E415 PolarHBondContact O-N 3.07Å; E415-L417 VanDerWaalsContact C-N 3.35Å; E415-L417 PolarHBondContact O-N 3.27Å; E415-L418 PolarHBondContact O-N 3.43Å; E415-I419 VanDerWaalsContact O-CG1 3.26Å; E415-I419 WeakPolarHBondContact O-CG1 3.35Å; E415-I419 PolarHBondContact O-N 3.42Å |
| 416 | M | 91.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 178.3 | -74.3 | -58.1 | 106 | 0 | 0 | 112.4 | F229 L353 M379 S412 G413 C414 I419 I420 | F229-M416 HydrophobicContact CB-SD 4.37Å; F229-M416 HydrophobicContact CD1-CB 3.56Å; F229-M416 HydrophobicContact CD1-CG 4.04Å; F229-M416 HydrophobicContact CD1-SD 4.43Å; F229-M416 HydrophobicContact CD2-CG 4.37Å; F229-M416 HydrophobicContact CE1-CB 3.41Å; F229-M416 VanDerWaalsContact CE1-CB 3.41Å; F229-M416 HydrophobicContact CE1-CG 4.19Å; F229-M416 HydrophobicContact CE2-CB 4.44Å; F229-M416 HydrophobicContact CE2-CG 4.49Å; F229-M416 HydrophobicContact CG-CB 4.17Å; F229-M416 HydrophobicContact CG-CG 4.15Å; F229-M416 HydrophobicContact CG-SD 4.34Å; F229-M416 HydrophobicContact CZ-CB 3.88Å; F229-M416 HydrophobicContact CZ-CG 4.4Å; L353-M416 HydrophobicContact CD1-CE 3.27Å; L353-M416 HydrophobicContact CD2-CE 3.44Å; L353-M416 VanDerWaalsContact CD2-CE 3.44Å; L353-M416 HydrophobicContact CD2-SD 4.45Å; L353-M416 HydrophobicContact CG-CE 3.88Å; M379-M416 HydrophobicContact CE-CG 3.88Å; M379-M416 HydrophobicContact CG-CG 4.03Å; M379-M416 HydrophobicContact CG-SD 4.09Å; M379-M416 HydrophobicContact SD-CG 3.56Å; M379-M416 VanDerWaalsContact SD-CG 3.56Å; M379-M416 HydrophobicContact SD-SD 3.92Å; S412-M416 WeakPolarHBondContact O-CB 3.26Å; S412-M416 VanDerWaalsContact O-CG 3.3Å; S412-M416 WeakPolarHBondContact O-CG 3.01Å; S412-M416 PolarHBondContact O-N 2.86Å; G413-M416 PolarHBondContact O-N 2.84Å; C414-M416 PolarHBondContact O-N 3.29Å; M416-I419 HydrophobicContact CE-CD1 3.6Å; M416-I419 PolarHBondContact O-N 3.2Å; M416-I420 WeakPolarHBondContact O-CG1 3.42Å; M416-I420 PolarHBondContact O-N 3.12Å |
| 417 | L | 89.9 | Confident | 90.8 | Very high | 76 Ų | 76 | 52.3 Ų | 52.3 | 40% | 0.398 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 175.6 | -71.8 | 173.9 | 0 | 0 | 0 | 111.2 | G413 C414 E415 I420 L421 | G413-L417 VanDerWaalsContact O-CG 3.31Å; G413-L417 WeakPolarHBondContact O-CG 3.35Å; G413-L417 PolarHBondContact O-N 3.48Å; C414-L417 PolarHBondContact O-N 3Å; E415-L417 VanDerWaalsContact C-N 3.35Å; E415-L417 PolarHBondContact O-N 3.27Å; L417-I420 PolarHBondContact O-N 2.88Å; L417-L421 WeakPolarHBondContact O-CG 3.2Å; L417-L421 PolarHBondContact O-N 2.94Å |
| 418 | L | 92.7 | Very high | 90.8 | Very high | 109 Ų | 109 | 61.8 Ų | 61.8 | 57% | 0.571 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.7 | -45.6 | 175 | -73.1 | 172.4 | 0 | 0 | 0 | 111.6 | C414 E415 I420 L421 V422 | C414-L418 WeakPolarHBondContact O-CG 3.48Å; C414-L418 PolarHBondContact O-N 3.35Å; E415-L418 PolarHBondContact O-N 3.43Å; L418-I420 VanDerWaalsContact C-N 3.32Å; L418-I420 PolarHBondContact O-N 2.7Å; L418-L421 PolarHBondContact O-N 3.02Å; L418-V422 WeakPolarHBondContact O-CG2 3.16Å; L418-V422 PolarHBondContact O-N 3.49Å |
| 419 | I | 93.9 | Very high | 90.4 | Very high | 70 Ų | 70 | 65 Ų | 65 | 36% | 0.359 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 177.1 | -69.6 | 164.9 | 0 | 0 | 0 | 110.6 | L233 L353 E415 M416 Y423 | L233-I419 HydrophobicContact CD1-CG2 3.81Å; L233-I419 HydrophobicContact CD2-CG2 3.97Å; L353-I419 HydrophobicContact CD1-CD1 3.87Å; E415-I419 VanDerWaalsContact O-CG1 3.26Å; E415-I419 WeakPolarHBondContact O-CG1 3.35Å; E415-I419 PolarHBondContact O-N 3.42Å; M416-I419 HydrophobicContact CE-CD1 3.6Å; M416-I419 PolarHBondContact O-N 3.2Å; I419-Y423 WeakPolarHBondContact O-CB 3.22Å; I419-Y423 PolarHBondContact O-N 2.93Å |
| 420 | I | 92 | Very high | 90.2 | Very high | 13 Ų | 13 | 68.2 Ų | 68.2 | 7% | 0.067 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 174.9 | -72.3 | 164.9 | 0 | 0 | 0 | 111.5 | F229 L232 L233 M416 L417 L418 Y423 K424 | F229-I420 HydrophobicContact CD1-CD1 3.44Å; F229-I420 VanDerWaalsContact CD1-CD1 3.44Å; F229-I420 HydrophobicContact CD1-CG1 4.44Å; F229-I420 HydrophobicContact CE1-CD1 3.66Å; L232-I420 HydrophobicContact CB-CD1 4.13Å; L232-I420 HydrophobicContact CB-CG1 4.38Å; L232-I420 HydrophobicContact CD1-CD1 3.75Å; L233-I420 HydrophobicContact CD1-CG1 4.45Å; L233-I420 HydrophobicContact CD2-CB 4.45Å; L233-I420 HydrophobicContact CD2-CG1 3.81Å; L233-I420 HydrophobicContact CG-CG1 4.04Å; M416-I420 WeakPolarHBondContact O-CG1 3.42Å; M416-I420 PolarHBondContact O-N 3.12Å; L417-I420 PolarHBondContact O-N 2.88Å; L418-I420 VanDerWaalsContact C-N 3.32Å; L418-I420 PolarHBondContact O-N 2.7Å; I420-Y423 PolarHBondContact O-N 2.92Å; I420-K424 HydrophobicContact CG2-CD 4.03Å; I420-K424 HydrophobicContact CG2-CG 4.33Å; I420-K424 WeakPolarHBondContact O-CB 3.48Å; I420-K424 WeakPolarHBondContact O-CG 3.5Å; I420-K424 PolarHBondContact O-N 3.15Å |
| 421 | L | 92.7 | Very high | 89.8 | Confident | 116 Ų | 116 | 74.3 Ų | 74.3 | 61% | 0.607 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -61.3 | -48.7 | -179.5 | -72.8 | 172.7 | 0 | 0 | 0 | 111 | L417 L418 Y423 K424 A425 | L417-L421 WeakPolarHBondContact O-CG 3.2Å; L417-L421 PolarHBondContact O-N 2.94Å; L418-L421 PolarHBondContact O-N 3.02Å; L421-Y423 VanDerWaalsContact C-N 3.34Å; L421-Y423 PolarHBondContact O-N 2.84Å; L421-K424 PolarHBondContact O-N 3.49Å; L421-A425 VanDerWaalsContact O-CB 3.32Å; L421-A425 WeakPolarHBondContact O-CB 3.42Å; L421-A425 PolarHBondContact O-N 3.25Å |
| 422 | V | 93.6 | Very high | 89.3 | Confident | 99 Ų | 99 | 80.1 Ų | 80.1 | 60% | 0.6 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61 | -44 | 176.7 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | L418 A425 K426 | L418-V422 WeakPolarHBondContact O-CG2 3.16Å; L418-V422 PolarHBondContact O-N 3.49Å; V422-A425 PolarHBondContact O-N 3.37Å; V422-K426 WeakPolarHBondContact O-CB 2.87Å; V422-K426 PolarHBondContact O-N 2.85Å |
| 423 | Y | 92.6 | Very high | 88.5 | Confident | 61 Ų | 61 | 85.8 Ų | 85.8 | 24% | 0.239 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60.9 | -47.8 | 178.5 | -175.7 | -107.2 | 0 | 0 | 0 | 112.2 | L233 D234 K371 I419 I420 L421 K426 K427 | L233-Y423 HydrophobicContact CD2-CD1 3.9Å; L233-Y423 HydrophobicContact CD2-CG 3.8Å; D234-Y423 WeakPolarHBondContact CB-OH 3.4Å; D234-Y423 VanDerWaalsContact OD2-CE1 3.32Å; D234-Y423 WeakPolarHBondContact OD2-CE1 3.42Å; D234-Y423 PolarHBondContact OD2-OH 2.7Å; K371-Y423 PolarHBondContact NZ-OH 3.09Å; I419-Y423 WeakPolarHBondContact O-CB 3.22Å; I419-Y423 PolarHBondContact O-N 2.93Å; I420-Y423 PolarHBondContact O-N 2.92Å; L421-Y423 VanDerWaalsContact C-N 3.34Å; L421-Y423 PolarHBondContact O-N 2.84Å; Y423-K426 PolarHBondContact O-N 2.86Å; Y423-K427 HydrophobicContact CE1-CD 4.39Å; Y423-K427 WeakPolarHBondContact O-CB 3.35Å; Y423-K427 PolarHBondContact O-N 2.83Å |
| 424 | K | 90.7 | Very high | 87.9 | Confident | 106 Ų | 106 | 90.8 Ų | 90.8 | 46% | 0.461 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 178.3 | -76.2 | -174.1 | 175.4 | -179.2 | 0 | 112.2 | I420 L421 K427 R428 | I420-K424 HydrophobicContact CG2-CD 4.03Å; I420-K424 HydrophobicContact CG2-CG 4.33Å; I420-K424 WeakPolarHBondContact O-CB 3.48Å; I420-K424 WeakPolarHBondContact O-CG 3.5Å; I420-K424 PolarHBondContact O-N 3.15Å; L421-K424 PolarHBondContact O-N 3.49Å; K424-K427 PolarHBondContact O-N 3.3Å; K424-R428 WeakPolarHBondContact O-CB 3.19Å; K424-R428 WeakPolarHBondContact O-CG 3.49Å; K424-R428 PolarHBondContact O-N 3.04Å |
| 425 | A | 91 | Very high | 87.3 | Confident | 52 Ų | 52 | 91.4 Ų | 91.4 | 43% | 0.43 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60 | -49.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L421 V422 K427 R428 C429 | L421-A425 VanDerWaalsContact O-CB 3.32Å; L421-A425 WeakPolarHBondContact O-CB 3.42Å; L421-A425 PolarHBondContact O-N 3.25Å; V422-A425 PolarHBondContact O-N 3.37Å; A425-K427 PolarHBondContact O-N 3.41Å; A425-R428 PolarHBondContact O-N 3.38Å; A425-C429 PolarHBondContact O-N 3.36Å; A425-C429 PolarHBondContact O-SG 3.42Å; A425-C429 VanDerWaalsContact O-SG 3.34Å |
| 426 | K | 91.1 | Very high | 86.4 | Confident | 144 Ų | 144 | 95.8 Ų | 95.8 | 63% | 0.626 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -59.3 | -44.6 | 176.8 | -172.9 | 175.9 | -179.7 | 176.2 | 0 | 112.2 | V422 Y423 C429 I430 | V422-K426 WeakPolarHBondContact O-CB 2.87Å; V422-K426 PolarHBondContact O-N 2.85Å; Y423-K426 PolarHBondContact O-N 2.86Å; K426-C429 PolarHBondContact O-N 3.21Å; K426-I430 HydrophobicContact CG-CD1 3.97Å; K426-I430 VanDerWaalsContact O-CG1 3.29Å; K426-I430 WeakPolarHBondContact O-CG1 3.26Å; K426-I430 PolarHBondContact O-N 3.43Å |
| 427 | K | 88.7 | Confident | 85.3 | Confident | 112 Ų | 112 | 105.1 Ų | 105.1 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 178.7 | -164.7 | 171.4 | -174.8 | 173.1 | 0 | 111.7 | D234 Y423 K424 A425 I430 F431 | D234-K427 IonicContact OD1-NZ 2.8Å; D234-K427 IonicContact OD2-NZ 2.82Å; D234-K427 PolarHBondContact OD2-NZ 3.39Å; Y423-K427 HydrophobicContact CE1-CD 4.39Å; Y423-K427 WeakPolarHBondContact O-CB 3.35Å; Y423-K427 PolarHBondContact O-N 2.83Å; K424-K427 PolarHBondContact O-N 3.3Å; A425-K427 PolarHBondContact O-N 3.41Å; K427-I430 PolarHBondContact O-N 3Å; K427-F431 WeakPolarHBondContact O-CB 3.4Å; K427-F431 PolarHBondContact O-N 3.01Å |
| 428 | R | 87.3 | Confident | 84.3 | Confident | 201 Ų | 201 | 108.4 Ų | 108.4 | 76% | 0.758 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.7 | -44.1 | 174.3 | -78 | -174.8 | 179.1 | -177.7 | 0 | 112.3 | K424 A425 F431 F432 | K424-R428 WeakPolarHBondContact O-CB 3.19Å; K424-R428 WeakPolarHBondContact O-CG 3.49Å; K424-R428 PolarHBondContact O-N 3.04Å; A425-R428 PolarHBondContact O-N 3.38Å; R428-F431 PolarHBondContact O-N 3.3Å; R428-F432 WeakPolarHBondContact O-CB 3.23Å; R428-F432 PolarHBondContact O-N 3.07Å |
| 429 | C | 84.4 | Confident | 83 | Confident | 72 Ų | 72 | 110.7 Ų | 110.7 | 49% | 0.486 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 176.5 | -71.4 | 0 | 0 | 0 | 0 | 111.5 | A425 K426 F431 F432 F433 | A425-C429 PolarHBondContact O-N 3.36Å; A425-C429 PolarHBondContact O-SG 3.42Å; A425-C429 VanDerWaalsContact O-SG 3.34Å; K426-C429 PolarHBondContact O-N 3.21Å; C429-F431 VanDerWaalsContact C-N 3.34Å; C429-F431 PolarHBondContact O-N 3.43Å; C429-F432 PolarHBondContact O-N 2.7Å; C429-F433 WeakPolarHBondContact O-CD2 3.2Å; C429-F433 PolarHBondContact O-N 2.92Å |
| 430 | I | 84.5 | Confident | 81.8 | Confident | 85 Ų | 85 | 112.2 Ų | 112.2 | 44% | 0.436 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 178.2 | -68.7 | 165.9 | 0 | 0 | 0 | 110.9 | K426 K427 F432 F433 Q434 | K426-I430 HydrophobicContact CG-CD1 3.97Å; K426-I430 VanDerWaalsContact O-CG1 3.29Å; K426-I430 WeakPolarHBondContact O-CG1 3.26Å; K426-I430 PolarHBondContact O-N 3.43Å; K427-I430 PolarHBondContact O-N 3Å; I430-F432 VanDerWaalsContact C-N 3.34Å; I430-F432 PolarHBondContact O-N 2.99Å; I430-F433 PolarHBondContact O-N 2.93Å; I430-Q434 HydrophobicContact CG2-CG 4.47Å; I430-Q434 WeakPolarHBondContact O-CG 3.45Å; I430-Q434 PolarHBondContact O-N 2.96Å |
| 431 | F | 78.6 | Confident | 80.6 | Confident | 144 Ų | 144 | 116 Ų | 116 | 63% | 0.632 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.8 | -43.5 | 178.2 | -171.7 | -95.6 | 0 | 0 | 0 | 111.7 | K427 R428 C429 F433 Q434 D435 | K427-F431 WeakPolarHBondContact O-CB 3.4Å; K427-F431 PolarHBondContact O-N 3.01Å; R428-F431 PolarHBondContact O-N 3.3Å; C429-F431 VanDerWaalsContact C-N 3.34Å; C429-F431 PolarHBondContact O-N 3.43Å; F431-F433 PolarHBondContact O-N 3.39Å; F431-Q434 PolarHBondContact O-N 2.92Å; F431-D435 WeakPolarHBondContact O-CB 3.39Å; F431-D435 PolarHBondContact O-N 2.86Å |
| 432 | F | 79.8 | Confident | 79.2 | Confident | 131 Ų | 131 | 117.7 Ų | 117.7 | 58% | 0.575 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.4 | -43.1 | 176.4 | -176.7 | -97.3 | 0 | 0 | 0 | 112.6 | R428 C429 I430 D435 K436 | R428-F432 WeakPolarHBondContact O-CB 3.23Å; R428-F432 PolarHBondContact O-N 3.07Å; C429-F432 PolarHBondContact O-N 2.7Å; I430-F432 VanDerWaalsContact C-N 3.34Å; I430-F432 PolarHBondContact O-N 2.99Å; F432-D435 PolarHBondContact O-N 3.43Å; F432-K436 WeakPolarHBondContact O-CB 3.43Å; F432-K436 PolarHBondContact O-N 2.92Å |
| 433 | F | 75.1 | Confident | 77.3 | Confident | 127 Ų | 127 | 121.9 Ų | 121.9 | 56% | 0.557 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.8 | -35.1 | 176.9 | -80.2 | -70 | 0 | 0 | 0 | 113 | C429 I430 F431 R437 | C429-F433 WeakPolarHBondContact O-CD2 3.2Å; C429-F433 PolarHBondContact O-N 2.92Å; I430-F433 PolarHBondContact O-N 2.93Å; F431-F433 PolarHBondContact O-N 3.39Å; F433-R437 PolarHBondContact O-N 2.9Å |
| 434 | Q | 75.9 | Confident | 76.5 | Confident | 117 Ų | 117 | 125 Ų | 125 | 55% | 0.547 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.6 | -42.1 | 174.3 | -77.1 | -179.1 | -21.6 | 0 | 0 | 111.8 | I430 F431 R437 K438 | I430-Q434 HydrophobicContact CG2-CG 4.47Å; I430-Q434 WeakPolarHBondContact O-CG 3.45Å; I430-Q434 PolarHBondContact O-N 2.96Å; F431-Q434 PolarHBondContact O-N 2.92Å; Q434-R437 PolarHBondContact O-N 3.42Å; Q434-K438 PolarHBondContact O-N 2.93Å |
| 435 | D | 75.5 | Confident | 75.8 | Confident | 63 Ų | 63 | 125.9 Ų | 125.9 | 34% | 0.337 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65 | -42.4 | 176.6 | -168.3 | 41.8 | 0 | 0 | 0 | 111.5 | F431 F432 R437 K438 R439 | F431-D435 WeakPolarHBondContact O-CB 3.39Å; F431-D435 PolarHBondContact O-N 2.86Å; F432-D435 PolarHBondContact O-N 3.43Å; D435-R437 PolarHBondContact O-N 3.49Å; D435-K438 PolarHBondContact O-N 3.08Å; D435-R439 WeakPolarHBondContact O-CB 3.44Å; D435-R439 PolarHBondContact O-N 3.42Å; D435-R439 IonicContact OD2-CZ 2.68Å; D435-R439 IonicContact OD2-NH2 3.55Å; D435-R439 PolarHBondContact OD2-NH2 3.38Å |
| 436 | K | 72.7 | Confident | 74.9 | Confident | 114 Ų | 114 | 130.1 Ų | 130.1 | 50% | 0.496 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.6 | -40.3 | 174.9 | -167.4 | 174.6 | -178 | 178.6 | 0 | 112.7 | F432 R439 N440 | F432-K436 WeakPolarHBondContact O-CB 3.43Å; F432-K436 PolarHBondContact O-N 2.92Å; K436-R439 PolarHBondContact O-N 3.03Å; K436-N440 PolarHBondContact O-N 2.88Å; K436-N440 PolarHBondContact O-OD1 3.32Å |
| 437 | R | 68.9 | Low | 74 | Confident | 196 Ų | 196 | 129.2 Ų | 129.2 | 74% | 0.74 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.9 | -44.5 | 174.1 | -85.5 | -170.6 | -143.2 | -179.2 | 3.7 | 112.4 | F433 Q434 D435 R439 N440 S441 | F433-R437 PolarHBondContact O-N 2.9Å; Q434-R437 PolarHBondContact O-N 3.42Å; D435-R437 PolarHBondContact O-N 3.49Å; R437-R439 VanDerWaalsContact C-N 3.28Å; R437-R439 PolarHBondContact O-N 3.25Å; R437-N440 PolarHBondContact O-N 3.13Å; R437-S441 PolarHBondContact O-N 3.46Å; R437-S441 PolarHBondContact O-OG 3.17Å |
| 438 | K | 68.8 | Low | 73 | Confident | 144 Ų | 144 | 130.3 Ų | 130.3 | 63% | 0.626 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -60.8 | -38.9 | 176.8 | -79 | -174.7 | 176.2 | -174.3 | 0 | 112 | Q434 D435 S441 L442 | Q434-K438 PolarHBondContact O-N 2.93Å; D435-K438 PolarHBondContact O-N 3.08Å; K438-S441 WeakPolarHBondContact CA-OG 3.35Å; K438-S441 PolarHBondContact O-N 3.26Å; K438-S441 PolarHBondContact O-OG 3.43Å; K438-L442 WeakPolarHBondContact O-CD1 3.44Å; K438-L442 WeakPolarHBondContact O-CG 3.48Å; K438-L442 PolarHBondContact O-N 3.38Å |
| 439 | R | 66 | Low | 72.1 | Confident | 157 Ų | 157 | 125.6 Ų | 125.6 | 59% | 0.592 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.6 | -38.1 | 178.2 | -146.1 | 177.4 | -64.4 | -170.4 | 1 | 112.3 | D435 K436 R437 L442 | D435-R439 WeakPolarHBondContact O-CB 3.44Å; D435-R439 PolarHBondContact O-N 3.42Å; D435-R439 IonicContact OD2-CZ 2.68Å; D435-R439 IonicContact OD2-NH2 3.55Å; D435-R439 PolarHBondContact OD2-NH2 3.38Å; K436-R439 PolarHBondContact O-N 3.03Å; R437-R439 VanDerWaalsContact C-N 3.28Å; R437-R439 PolarHBondContact O-N 3.25Å; R439-L442 PolarHBondContact O-N 3.46Å |
| 440 | N | 68.8 | Low | 71.2 | Confident | 102 Ų | 102 | 129.4 Ų | 129.4 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -76.6 | -17 | 176.6 | -75 | 14.6 | 0 | 0 | 0 | 114.3 | K436 R437 | K436-N440 PolarHBondContact O-N 2.88Å; K436-N440 PolarHBondContact O-OD1 3.32Å; R437-N440 PolarHBondContact O-N 3.13Å |
| 441 | S | 65.3 | Low | 70.2 | Confident | 92 Ų | 92 | 132.8 Ų | 132.8 | 64% | 0.643 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -5.4 | 174.3 | 58.2 | 0 | 0 | 0 | 0 | 113.9 | R437 K438 | R437-S441 PolarHBondContact O-N 3.46Å; R437-S441 PolarHBondContact O-OG 3.17Å; K438-S441 WeakPolarHBondContact CA-OG 3.35Å; K438-S441 PolarHBondContact O-N 3.26Å; K438-S441 PolarHBondContact O-OG 3.43Å |
| 442 | L | 62.9 | Low | 69.5 | Low | 152 Ų | 152 | 131.9 Ų | 131.9 | 80% | 0.796 | 62% | 0.618 | S | S | * | * | trans | -102 | -1.8 | 177.3 | -75.4 | 164.7 | 0 | 0 | 0 | 112.5 | K438 R439 | K438-L442 WeakPolarHBondContact O-CD1 3.44Å; K438-L442 WeakPolarHBondContact O-CG 3.48Å; K438-L442 PolarHBondContact O-N 3.38Å; R439-L442 PolarHBondContact O-N 3.46Å | ||
| 443 | I | 54.2 | Low | 68.6 | Low | 188 Ų | 188 | 132 Ų | 132 | 96% | 0.964 | 62% | 0.622 | S | S | * | * | trans | -109.2 | 0 | 171.4 | -56.1 | 169.1 | 0 | 0 | 0 | 105.9 |
Retrieved 443 of 443 residues in 89.4 ms
(Link to these results)