| 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 | 38.2 | Very low | 43.4 | Very low | 240 Ų | 240 | 143.3 Ų | 143.3 | 100% | 1.182 | 71% | 0.708 | S | S | * | * | 0 | 85.1 | 0 | -160.7 | 173.8 | -158.4 | 0 | 0 | 105.6 | |||||
| 2 | E | 36.2 | Very low | 43.2 | Very low | 184 Ų | 184 | 142.6 Ų | 142.6 | 86% | 0.86 | 70% | 0.699 | S | S | * | * | trans | -117.6 | 117.5 | 179.1 | -72.8 | -174.5 | 158.9 | 0 | 0 | 107.4 | L4 | E2-L4 PolarHBondContact O-N 3.16Š| ||
| 3 | H | 43.8 | Very low | 43.9 | Very low | 192 Ų | 192 | 142.5 Ų | 142.5 | 89% | 0.889 | 70% | 0.696 | S | S | * | * | trans | -72.9 | 110.2 | 173.5 | -101.9 | -97 | 0 | 0 | 0 | 108.6 | ||||
| 4 | L | 43.1 | Very low | 44.6 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 79% | 0.791 | 69% | 0.685 | S | S | * | * | trans | -93 | 109 | 163.7 | -90.9 | 154.8 | 0 | 0 | 0 | 108.5 | E2 F6 | E2-L4 PolarHBondContact O-N 3.16Å; L4-F6 PolarHBondContact O-N 2.95Å | ||
| 5 | D | 43.3 | Very low | 45.2 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 62% | 0.62 | 67% | 0.674 | S | S | * | * | trans | -74.6 | 98.3 | -174.6 | -169.5 | 5.1 | 0 | 0 | 0 | 111.5 | G7 | D5-G7 PolarHBondContact O-N 3.46Å; D5-G7 PolarHBondContact OD1-N 3.02Å | ||
| 6 | F | 45.4 | Very low | 46.2 | Very low | 177 Ų | 177 | 137.3 Ų | 137.3 | 78% | 0.776 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 0.1 | 171.4 | -82.1 | -88.8 | 0 | 0 | 0 | 113.3 | L4 | L4-F6 PolarHBondContact O-N 2.95Š|
| 7 | G | 43.1 | Very low | 46.8 | Very low | 37 Ų | 37 | 134.1 Ų | 134.1 | 38% | 0.381 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -70.1 | -32.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | D5 T9 H11 | D5-G7 PolarHBondContact O-N 3.46Å; D5-G7 PolarHBondContact OD1-N 3.02Å; G7-T9 PolarHBondContact O-N 2.94Å; G7-H11 VanDerWaalsContact O-CB 3.25Å; G7-H11 WeakPolarHBondContact O-CB 3.46Å; G7-H11 PolarHBondContact O-N 3.26Å |
| 8 | V | 44.4 | Very low | 48.1 | Very low | 78 Ų | 78 | 130.9 Ų | 130.9 | 47% | 0.473 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -68.1 | -40 | -169.5 | -175.9 | 0 | 0 | 0 | 0 | 112.1 | F12 | V8-F12 WeakPolarHBondContact O-CB 3.44Å; V8-F12 PolarHBondContact O-N 3.49Å |
| 9 | T | 46.9 | Very low | 49.1 | Very low | 94 Ų | 94 | 133.7 Ų | 133.7 | 58% | 0.577 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -74.3 | -39.3 | -173.9 | -23.1 | 0 | 0 | 0 | 0 | 113.1 | G7 F12 Q13 | G7-T9 PolarHBondContact O-N 2.94Å; T9-F12 PolarHBondContact O-N 3.47Å; T9-Q13 PolarHBondContact O-N 3.49Å |
| 10 | R | 48.6 | Very low | 50.2 | Low | 208 Ų | 208 | 132.2 Ų | 132.2 | 79% | 0.785 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.9 | -44.6 | 173.5 | -114.6 | -179 | -177.6 | 173.8 | 0.7 | 110.9 | F12 Q13 E14 | R10-F12 PolarHBondContact O-N 3.49Å; R10-Q13 PolarHBondContact O-N 3.38Å; R10-E14 VanDerWaalsContact O-CB 3.3Å; R10-E14 WeakPolarHBondContact O-CB 3.49Å; R10-E14 PolarHBondContact O-N 3.39Å |
| 11 | H | 44 | Very low | 51.2 | Low | 99 Ų | 99 | 128.5 Ų | 128.5 | 46% | 0.458 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70.5 | -20.6 | 179.6 | -146 | -27.4 | 0 | 0 | 0 | 112.9 | G7 R15 | G7-H11 VanDerWaalsContact O-CB 3.25Å; G7-H11 WeakPolarHBondContact O-CB 3.46Å; G7-H11 PolarHBondContact O-N 3.26Å; H11-R15 VanDerWaalsContact O-CB 3.31Å; H11-R15 WeakPolarHBondContact O-CB 3.38Å; H11-R15 VanDerWaalsContact O-CG 3.28Å; H11-R15 WeakPolarHBondContact O-CG 3.42Å; H11-R15 PolarHBondContact O-N 3.43Å; H11-R15 PolarHBondContact O-NE 2.84Å; H11-R15 VanDerWaalsContact O-NE 3.09Å |
| 12 | F | 41.5 | Very low | 52.9 | Low | 135 Ų | 135 | 122 Ų | 122 | 59% | 0.592 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -78.6 | -43.6 | 174.1 | -140.1 | -93.3 | 0 | 0 | 0 | 111.9 | V8 T9 R10 R15 E16 | V8-F12 WeakPolarHBondContact O-CB 3.44Å; V8-F12 PolarHBondContact O-N 3.49Å; T9-F12 PolarHBondContact O-N 3.47Å; R10-F12 PolarHBondContact O-N 3.49Å; F12-R15 PolarHBondContact O-N 3.49Å; F12-E16 PolarHBondContact O-N 2.96Å |
| 13 | Q | 52.2 | Low | 54.6 | Low | 142 Ų | 142 | 120.6 Ų | 120.6 | 66% | 0.664 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69.3 | -39.2 | 176.1 | -76.7 | -174.2 | -19.3 | 0 | 0 | 112.4 | T9 R10 E16 F17 | T9-Q13 PolarHBondContact O-N 3.49Å; R10-Q13 PolarHBondContact O-N 3.38Å; Q13-E16 PolarHBondContact O-N 3.49Å; Q13-F17 PolarHBondContact O-N 3.4Å |
| 14 | E | 53.6 | Low | 56 | Low | 115 Ų | 115 | 117.6 Ų | 117.6 | 54% | 0.537 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 173.8 | -161.4 | 165 | -150.4 | 0 | 0 | 110.5 | R10 E16 F17 D18 | R10-E14 VanDerWaalsContact O-CB 3.3Å; R10-E14 WeakPolarHBondContact O-CB 3.49Å; R10-E14 PolarHBondContact O-N 3.39Å; E14-E16 PolarHBondContact O-N 3.37Å; E14-F17 PolarHBondContact O-N 2.66Å; E14-D18 WeakPolarHBondContact O-CB 3.33Å; E14-D18 VanDerWaalsContact O-CG 3.23Å; E14-D18 PolarHBondContact O-N 3.34Å |
| 15 | R | 54.1 | Low | 57.3 | Low | 141 Ų | 141 | 112.2 Ų | 112.2 | 53% | 0.532 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.2 | -34.8 | 174.9 | -82.6 | -172.7 | -80 | -157.2 | -2.8 | 114.2 | H11 F12 R19 | H11-R15 VanDerWaalsContact O-CB 3.31Å; H11-R15 WeakPolarHBondContact O-CB 3.38Å; H11-R15 VanDerWaalsContact O-CG 3.28Å; H11-R15 WeakPolarHBondContact O-CG 3.42Å; H11-R15 PolarHBondContact O-N 3.43Å; H11-R15 PolarHBondContact O-NE 2.84Å; H11-R15 VanDerWaalsContact O-NE 3.09Å; F12-R15 PolarHBondContact O-N 3.49Å; R15-R19 WeakPolarHBondContact O-CB 3.22Å; R15-R19 PolarHBondContact O-N 3.23Å |
| 16 | E | 61.3 | Low | 58.8 | Low | 87 Ų | 87 | 113.1 Ų | 113.1 | 41% | 0.407 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.8 | -35.3 | 178.7 | -156.6 | -165.1 | 142.5 | 0 | 0 | 112.1 | F12 Q13 E14 K20 | F12-E16 PolarHBondContact O-N 2.96Å; Q13-E16 PolarHBondContact O-N 3.49Å; E14-E16 PolarHBondContact O-N 3.37Å; E16-K20 WeakPolarHBondContact O-CG 3.38Å; E16-K20 PolarHBondContact O-N 3.26Å; E16-K20 WeakPolarHBondContact OE1-CE 3.07Å; E16-K20 IonicContact OE1-NZ 3.44Å; E16-K20 PolarHBondContact OE1-NZ 3.08Å |
| 17 | F | 56.4 | Low | 59.7 | Low | 83 Ų | 83 | 112.7 Ų | 112.7 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.5 | -45 | 173.5 | -177.6 | -94.6 | 0 | 0 | 0 | 111.7 | Q13 E14 R19 K20 V21 | Q13-F17 PolarHBondContact O-N 3.4Å; E14-F17 PolarHBondContact O-N 2.66Å; F17-R19 VanDerWaalsContact C-N 3.28Å; F17-R19 PolarHBondContact O-N 3.12Å; F17-K20 CarbonylContact O-C 3.6Å; F17-K20 WeakPolarHBondContact O-CA 3.37Å; F17-K20 WeakPolarHBondContact O-CB 3.46Å; F17-K20 PolarHBondContact O-N 3.42Å; F17-V21 HydrophobicContact CD1-CG2 3.85Å; F17-V21 HydrophobicContact CE1-CG2 3.45Å; F17-V21 VanDerWaalsContact CE1-CG2 3.45Å; F17-V21 HydrophobicContact CZ-CG2 3.91Å; F17-V21 WeakPolarHBondContact O-CG2 3.38Å; F17-V21 PolarHBondContact O-N 3.39Å |
| 18 | D | 70 | Confident | 60.7 | Low | 77 Ų | 77 | 118.4 Ų | 118.4 | 41% | 0.412 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.1 | -42.6 | 176.1 | -70.9 | -24.2 | 0 | 0 | 0 | 110.9 | E14 K20 V21 D22 | E14-D18 WeakPolarHBondContact O-CB 3.33Å; E14-D18 VanDerWaalsContact O-CG 3.23Å; E14-D18 PolarHBondContact O-N 3.34Å; D18-K20 VanDerWaalsContact C-N 3.28Å; D18-K20 PolarHBondContact O-N 3.04Å; D18-V21 CarbonylContact O-C 3.56Å; D18-V21 WeakPolarHBondContact O-CA 3.49Å; D18-V21 WeakPolarHBondContact O-CB 3.37Å; D18-V21 PolarHBondContact O-N 3.43Å; D18-D22 PolarHBondContact O-N 3.46Å |
| 19 | R | 67.7 | Low | 61.9 | Low | 184 Ų | 184 | 120 Ų | 120 | 69% | 0.694 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.4 | -33.6 | 173.7 | -156.1 | 178.9 | 79.8 | 173 | 4.8 | 113.1 | R15 F17 Y23 | R15-R19 WeakPolarHBondContact O-CB 3.22Å; R15-R19 PolarHBondContact O-N 3.23Å; F17-R19 VanDerWaalsContact C-N 3.28Å; F17-R19 PolarHBondContact O-N 3.12Å; R19-Y23 WeakPolarHBondContact O-CB 3.35Å; R19-Y23 PolarHBondContact O-N 2.86Å |
| 20 | K | 70.5 | Confident | 62.7 | Low | 103 Ų | 103 | 122.9 Ų | 122.9 | 45% | 0.448 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -76 | -24.5 | 174 | -72.9 | 170.6 | -172.7 | 162.5 | 0 | 112.5 | E16 F17 D18 R24 | E16-K20 WeakPolarHBondContact O-CG 3.38Å; E16-K20 PolarHBondContact O-N 3.26Å; E16-K20 WeakPolarHBondContact OE1-CE 3.07Å; E16-K20 IonicContact OE1-NZ 3.44Å; E16-K20 PolarHBondContact OE1-NZ 3.08Å; F17-K20 CarbonylContact O-C 3.6Å; F17-K20 WeakPolarHBondContact O-CA 3.37Å; F17-K20 WeakPolarHBondContact O-CB 3.46Å; F17-K20 PolarHBondContact O-N 3.42Å; D18-K20 VanDerWaalsContact C-N 3.28Å; D18-K20 PolarHBondContact O-N 3.04Å; K20-R24 WeakPolarHBondContact O-CB 3.41Å; K20-R24 VanDerWaalsContact O-CG 3.31Å; K20-R24 WeakPolarHBondContact O-CG 3.38Å; K20-R24 PolarHBondContact O-N 2.95Å; K20-R24 PolarHBondContact O-NE 2.91Å |
| 21 | V | 71.2 | Confident | 63.2 | Low | 55 Ų | 55 | 116.7 Ų | 116.7 | 33% | 0.333 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -76.1 | -45.3 | 172.1 | 172.5 | 0 | 0 | 0 | 0 | 109.9 | F17 D18 R24 A25 | F17-V21 HydrophobicContact CD1-CG2 3.85Å; F17-V21 HydrophobicContact CE1-CG2 3.45Å; F17-V21 VanDerWaalsContact CE1-CG2 3.45Å; F17-V21 HydrophobicContact CZ-CG2 3.91Å; F17-V21 WeakPolarHBondContact O-CG2 3.38Å; F17-V21 PolarHBondContact O-N 3.39Å; D18-V21 CarbonylContact O-C 3.56Å; D18-V21 WeakPolarHBondContact O-CA 3.49Å; D18-V21 WeakPolarHBondContact O-CB 3.37Å; D18-V21 PolarHBondContact O-N 3.43Å; V21-R24 CarbonylContact O-C 3.49Å; V21-R24 WeakPolarHBondContact O-CA 3.38Å; V21-R24 WeakPolarHBondContact O-CB 3.33Å; V21-R24 PolarHBondContact O-N 3.34Å; V21-R24 VanDerWaalsContact O-N 3.09Å; V21-A25 WeakPolarHBondContact O-CB 3.36Å; V21-A25 PolarHBondContact O-N 2.84Å |
| 22 | D | 74.6 | Confident | 64 | Low | 105 Ų | 105 | 121.1 Ų | 121.1 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.6 | -45.1 | 177.1 | -68.9 | -23.4 | 0 | 0 | 0 | 111.2 | D18 R24 A25 E26 | D18-D22 PolarHBondContact O-N 3.46Å; D22-R24 VanDerWaalsContact C-N 3.27Å; D22-R24 PolarHBondContact O-N 3.29Å; D22-A25 CarbonylContact O-C 3.58Å; D22-A25 WeakPolarHBondContact O-CA 3.09Å; D22-A25 WeakPolarHBondContact O-CB 3.46Å; D22-A25 PolarHBondContact O-N 3.4Å; D22-E26 WeakPolarHBondContact O-CB 3.16Å; D22-E26 PolarHBondContact O-N 3.46Å |
| 23 | Y | 71.3 | Confident | 64.5 | Low | 153 Ų | 153 | 118.1 Ų | 118.1 | 60% | 0.6 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.4 | -36.4 | 173.9 | -171.9 | -98 | 0 | 0 | 0 | 112.6 | R19 R27 | R19-Y23 WeakPolarHBondContact O-CB 3.35Å; R19-Y23 PolarHBondContact O-N 2.86Å; Y23-R27 VanDerWaalsContact O-CB 3.3Å; Y23-R27 WeakPolarHBondContact O-CB 3.38Å; Y23-R27 PolarHBondContact O-N 3.39Å |
| 24 | R | 72.4 | Confident | 64.7 | Low | 130 Ų | 130 | 117.8 Ų | 117.8 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -74.3 | -28.3 | 174.7 | -79.4 | -175 | -95.8 | -174.4 | -8.4 | 112.6 | K20 V21 D22 R28 | K20-R24 WeakPolarHBondContact O-CB 3.41Å; K20-R24 VanDerWaalsContact O-CG 3.31Å; K20-R24 WeakPolarHBondContact O-CG 3.38Å; K20-R24 PolarHBondContact O-N 2.95Å; K20-R24 PolarHBondContact O-NE 2.91Å; V21-R24 CarbonylContact O-C 3.49Å; V21-R24 WeakPolarHBondContact O-CA 3.38Å; V21-R24 WeakPolarHBondContact O-CB 3.33Å; V21-R24 PolarHBondContact O-N 3.34Å; V21-R24 VanDerWaalsContact O-N 3.09Å; D22-R24 VanDerWaalsContact C-N 3.27Å; D22-R24 PolarHBondContact O-N 3.29Å; R24-R28 WeakPolarHBondContact O-CG 3.42Å; R24-R28 PolarHBondContact O-N 3.35Å; R24-R28 PolarHBondContact O-NE 2.98Å |
| 25 | A | 72 | Confident | 64.5 | Low | 38 Ų | 38 | 119.9 Ų | 119.9 | 31% | 0.314 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -74.1 | -47.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V21 D22 R27 R28 E29 | V21-A25 WeakPolarHBondContact O-CB 3.36Å; V21-A25 PolarHBondContact O-N 2.84Å; D22-A25 CarbonylContact O-C 3.58Å; D22-A25 WeakPolarHBondContact O-CA 3.09Å; D22-A25 WeakPolarHBondContact O-CB 3.46Å; D22-A25 PolarHBondContact O-N 3.4Å; A25-R27 PolarHBondContact O-N 2.93Å; A25-R28 CarbonylContact O-C 3.48Å; A25-R28 WeakPolarHBondContact O-CA 3.39Å; A25-R28 WeakPolarHBondContact O-CB 3.38Å; A25-R28 PolarHBondContact O-N 3.2Å; A25-E29 PolarHBondContact O-N 3.46Å |
| 26 | E | 73.7 | Confident | 64.2 | Low | 135 Ų | 135 | 118.9 Ų | 118.9 | 63% | 0.631 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.1 | -42.1 | 176.9 | -168.7 | 177.3 | -160.9 | 0 | 0 | 111.8 | D22 R28 E29 Y30 | D22-E26 WeakPolarHBondContact O-CB 3.16Å; D22-E26 PolarHBondContact O-N 3.46Å; E26-R28 VanDerWaalsContact C-N 3.26Å; E26-R28 PolarHBondContact O-N 2.98Å; E26-E29 WeakPolarHBondContact O-CB 3.41Å; E26-E29 PolarHBondContact O-N 3.18Å; E26-E29 VanDerWaalsContact O-N 3.17Å; E26-Y30 PolarHBondContact O-N 2.92Å |
| 27 | R | 63.8 | Low | 63.5 | Low | 168 Ų | 168 | 120.9 Ų | 120.9 | 63% | 0.634 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.1 | -29.6 | 172.9 | -167.6 | 173.8 | 177.7 | 178.2 | -0.1 | 112.8 | Y23 A25 L31 | Y23-R27 VanDerWaalsContact O-CB 3.3Å; Y23-R27 WeakPolarHBondContact O-CB 3.38Å; Y23-R27 PolarHBondContact O-N 3.39Å; A25-R27 PolarHBondContact O-N 2.93Å; R27-L31 VanDerWaalsContact O-CG 3.3Å; R27-L31 WeakPolarHBondContact O-CG 3.47Å; R27-L31 PolarHBondContact O-N 2.84Å |
| 28 | R | 64.7 | Low | 63.1 | Low | 157 Ų | 157 | 121.2 Ų | 121.2 | 59% | 0.592 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -79 | -32.6 | 173.2 | -78.5 | -176.8 | -83.4 | -149.2 | 4.2 | 112.2 | R24 A25 E26 L31 R32 | R24-R28 WeakPolarHBondContact O-CG 3.42Å; R24-R28 PolarHBondContact O-N 3.35Å; R24-R28 PolarHBondContact O-NE 2.98Å; A25-R28 CarbonylContact O-C 3.48Å; A25-R28 WeakPolarHBondContact O-CA 3.39Å; A25-R28 WeakPolarHBondContact O-CB 3.38Å; A25-R28 PolarHBondContact O-N 3.2Å; E26-R28 VanDerWaalsContact C-N 3.26Å; E26-R28 PolarHBondContact O-N 2.98Å; R28-L31 PolarHBondContact O-N 3.5Å; R28-R32 PolarHBondContact O-N 2.64Å |
| 29 | E | 69.3 | Low | 62 | Low | 110 Ų | 110 | 125.9 Ų | 125.9 | 51% | 0.514 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.3 | -44.5 | 171.8 | -143.8 | 81.7 | -124.8 | 0 | 0 | 110.7 | A25 E26 L31 R32 G33 | A25-E29 PolarHBondContact O-N 3.46Å; E26-E29 WeakPolarHBondContact O-CB 3.41Å; E26-E29 PolarHBondContact O-N 3.18Å; E26-E29 VanDerWaalsContact O-N 3.17Å; E29-L31 PolarHBondContact O-N 3.14Å; E29-R32 WeakPolarHBondContact O-CB 3.4Å; E29-R32 PolarHBondContact O-N 3.04Å; E29-R32 IonicContact OE1-CZ 3.19Å; E29-R32 IonicContact OE1-NH1 3.13Å; E29-R32 PolarHBondContact OE1-NH1 3.38Å; E29-G33 PolarHBondContact O-N 3.37Å |
| 30 | Y | 64.5 | Low | 60.8 | Low | 155 Ų | 155 | 122.9 Ų | 122.9 | 61% | 0.608 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -59.6 | -32.8 | 173.8 | 178.6 | -99.3 | 0 | 0 | 0 | 112.8 | E26 R34 | E26-Y30 PolarHBondContact O-N 2.92Å; Y30-R34 PolarHBondContact OH-NH2 3.47Å |
| 31 | L | 59.2 | Low | 59.4 | Low | 79 Ų | 79 | 128.5 Ų | 128.5 | 41% | 0.414 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -80 | -20 | 175.3 | -67.7 | 170.1 | 0 | 0 | 0 | 113.5 | R27 R28 E29 | R27-L31 VanDerWaalsContact O-CG 3.3Å; R27-L31 WeakPolarHBondContact O-CG 3.47Å; R27-L31 PolarHBondContact O-N 2.84Å; R28-L31 PolarHBondContact O-N 3.5Å; E29-L31 PolarHBondContact O-N 3.14Å |
| 32 | R | 60.3 | Low | 57.7 | Low | 191 Ų | 191 | 131.2 Ų | 131.2 | 72% | 0.721 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -72.5 | -31.5 | 172.9 | -82.3 | -179.5 | 178.1 | 170.3 | -3.4 | 112.8 | R28 E29 R34 | R28-R32 PolarHBondContact O-N 2.64Å; E29-R32 WeakPolarHBondContact O-CB 3.4Å; E29-R32 PolarHBondContact O-N 3.04Å; E29-R32 IonicContact OE1-CZ 3.19Å; E29-R32 IonicContact OE1-NH1 3.13Å; E29-R32 PolarHBondContact OE1-NH1 3.38Å; R32-R34 PolarHBondContact O-N 3.31Å |
| 33 | G | 52.9 | Low | 56 | Low | 73 Ų | 73 | 132.1 Ų | 132.1 | 75% | 0.753 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | E29 | E29-G33 PolarHBondContact O-N 3.37Š|
| 34 | R | 55.4 | Low | 54.8 | Low | 134 Ų | 134 | 131.3 Ų | 131.3 | 51% | 0.506 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -81.3 | 122.5 | 171.3 | -67.6 | -175.3 | 176.6 | 173 | -3.9 | 108.4 | Y30 R32 N36 | Y30-R34 PolarHBondContact OH-NH2 3.47Å; R32-R34 PolarHBondContact O-N 3.31Å; R34-N36 PolarHBondContact O-N 3.27Å |
| 35 | N | 48.4 | Very low | 53.5 | Low | 159 Ų | 159 | 135.4 Ų | 135.4 | 85% | 0.85 | 68% | 0.682 | S | S | * | * | trans | -63.7 | 82.5 | 172.7 | -123.3 | -2.5 | 0 | 0 | 0 | 108.9 | V37 | N35-V37 VanDerWaalsContact C-N 3.26Å; N35-V37 PolarHBondContact O-N 3.3Å | ||
| 36 | N | 48.2 | Very low | 52.5 | Low | 120 Ų | 120 | 140.3 Ų | 140.3 | 64% | 0.642 | 70% | 0.698 | S | S | * | * | trans | -75.1 | 87.4 | 170.6 | -78.5 | -41.4 | 0 | 0 | 0 | 107 | R34 T38 | R34-N36 PolarHBondContact O-N 3.27Å; N36-T38 HydrophobicContact CB-CG2 4.49Å; N36-T38 PolarHBondContact O-N 3.31Å | ||
| 37 | V | 48.3 | Very low | 51.2 | Low | 129 Ų | 129 | 142 Ų | 142 | 78% | 0.782 | 71% | 0.71 | S | S | * | * | trans | -64.5 | 85.7 | 165.4 | -177.7 | 0 | 0 | 0 | 0 | 106.9 | N35 | N35-V37 VanDerWaalsContact C-N 3.26Å; N35-V37 PolarHBondContact O-N 3.3Å | ||
| 38 | T | 47.1 | Very low | 50.7 | Low | 91 Ų | 91 | 138.2 Ų | 138.2 | 56% | 0.558 | 70% | 0.703 | S | S | * | * | trans | -96.5 | 122.7 | 166.4 | 49.8 | 0 | 0 | 0 | 0 | 106.4 | N36 C40 | N36-T38 HydrophobicContact CB-CG2 4.49Å; N36-T38 PolarHBondContact O-N 3.31Å; T38-C40 PolarHBondContact O-N 3.23Å | ||
| 39 | L | 47.2 | Very low | 50.4 | Low | 175 Ų | 175 | 135.1 Ų | 135.1 | 92% | 0.916 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | 3.9 | 178.8 | -74.9 | 154.7 | 0 | 0 | 0 | 113.9 | ||
| 40 | C | 41.5 | Very low | 49.8 | Very low | 120 Ų | 120 | 140 Ų | 140 | 81% | 0.811 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 8.6 | -173.5 | -60.1 | 0 | 0 | 0 | 0 | 114.3 | T38 | T38-C40 PolarHBondContact O-N 3.23Š|
| 41 | R | 40.8 | Very low | 49.4 | Very low | 222 Ų | 222 | 138.5 Ų | 138.5 | 84% | 0.838 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -122 | 105.8 | 162.1 | -70 | -168.2 | 176.7 | -147.2 | -0.1 | 108.7 | ||
| 42 | S | 36.9 | Very low | 49.5 | Very low | 112 Ų | 112 | 139 Ų | 139 | 78% | 0.783 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 130.6 | 175.3 | 46.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 43 | P | 37.4 | Very low | 49.6 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 80% | 0.799 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 138.5 | 178.3 | -22.1 | 32.1 | 0 | 0 | 0 | 112.4 | ||
| 44 | T | 46.9 | Very low | 50.3 | Low | 136 Ų | 136 | 136.7 Ų | 136.7 | 83% | 0.834 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 141.1 | 164.3 | 14 | 0 | 0 | 0 | 0 | 111.2 | ||
| 45 | R | 45.9 | Very low | 50.9 | Low | 216 Ų | 216 | 135.5 Ų | 135.5 | 82% | 0.815 | 70% | 0.697 | S | S | * | * | trans | 86.3 | 132.5 | 179.2 | -63.1 | -179.6 | 158.4 | 159.6 | -0.1 | 113.8 | ||||
| 46 | E | 49.5 | Very low | 51.9 | Low | 141 Ų | 141 | 132.2 Ų | 132.2 | 66% | 0.659 | 68% | 0.679 | S | S | * | * | cis | -162.5 | 165.1 | 7.4 | -111.8 | 157.3 | -150.1 | 0 | 0 | 108 | ||||
| 47 | L | 46.6 | Very low | 52.8 | Low | 170 Ų | 170 | 133 Ų | 133 | 89% | 0.89 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 81.7 | -39.5 | 173.1 | -89.4 | 84.5 | 0 | 0 | 0 | 123.1 | ||
| 48 | D | 53.8 | Low | 53.6 | Low | 89 Ų | 89 | 132.7 Ų | 132.7 | 48% | 0.476 | 67% | 0.667 | S | S | . | * | trans | -112.9 | 22.7 | -169.1 | -139 | -8.7 | 0 | 0 | 0 | 117.4 | R50 I52 | D48-R50 VanDerWaalsContact C-N 3.33Å; D48-R50 PolarHBondContact O-N 3.45Å; D48-I52 HydrophobicContact CB-CD1 4.35Å; D48-I52 WeakPolarHBondContact O-CD1 3.45Å; D48-I52 WeakPolarHBondContact O-CG1 3.47Å | ||
| 49 | T | 58.3 | Low | 54.7 | Low | 92 Ų | 92 | 135 Ų | 135 | 56% | 0.564 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -73.3 | -21.6 | -172.6 | 62.3 | 0 | 0 | 0 | 0 | 114.2 | K53 | T49-K53 WeakPolarHBondContact O-CB 3.38Å; T49-K53 WeakPolarHBondContact O-CD 3.41Å; T49-K53 WeakPolarHBondContact O-CG 3.34Å; T49-K53 PolarHBondContact O-N 2.85Å; T49-K53 VanDerWaalsContact O-N 3.1Å |
| 50 | R | 55.9 | Low | 55.9 | Low | 213 Ų | 213 | 135 Ų | 135 | 80% | 0.804 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -80.9 | -42.4 | -174.3 | -141.8 | 178.3 | -169.5 | 179.7 | 2.9 | 111.6 | D48 T54 | D48-R50 VanDerWaalsContact C-N 3.33Å; D48-R50 PolarHBondContact O-N 3.45Å; R50-T54 WeakPolarHBondContact O-CB 3.48Å; R50-T54 PolarHBondContact O-N 3.06Å; R50-T54 PolarHBondContact O-OG1 3.49Å |
| 51 | Q | 56 | Low | 56.6 | Low | 124 Ų | 124 | 134.8 Ų | 134.8 | 58% | 0.579 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -70 | -44 | 179.9 | -134.2 | 175.3 | 8 | 0 | 0 | 110.6 | K53 T54 Q55 | Q51-K53 PolarHBondContact O-N 3.02Å; Q51-T54 PolarHBondContact O-N 3.24Å; Q51-T54 VanDerWaalsContact O-N 3.14Å; Q51-Q55 PolarHBondContact O-N 3.1Å |
| 52 | I | 61.6 | Low | 57.4 | Low | 89 Ų | 89 | 132 Ų | 132 | 46% | 0.456 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -63.7 | -43.4 | 175.9 | -62.3 | 172.3 | 0 | 0 | 0 | 111.2 | D48 T54 Q55 L56 | D48-I52 HydrophobicContact CB-CD1 4.35Å; D48-I52 WeakPolarHBondContact O-CD1 3.45Å; D48-I52 WeakPolarHBondContact O-CG1 3.47Å; I52-T54 VanDerWaalsContact C-N 3.29Å; I52-T54 PolarHBondContact O-N 2.99Å; I52-Q55 PolarHBondContact O-N 2.85Å; I52-L56 HydrophobicContact CG2-CD1 3.88Å; I52-L56 HydrophobicContact CG2-CG 4.31Å; I52-L56 WeakPolarHBondContact O-CB 3.36Å; I52-L56 VanDerWaalsContact O-CG 3.28Å; I52-L56 WeakPolarHBondContact O-CG 3.36Å; I52-L56 PolarHBondContact O-N 2.92Å |
| 53 | K | 64 | Low | 58.6 | Low | 142 Ų | 142 | 131 Ų | 131 | 62% | 0.617 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -62.1 | -37.7 | 173.8 | -79.8 | 174.9 | -178.3 | 178.2 | 0 | 112.1 | T49 Q51 K57 | T49-K53 WeakPolarHBondContact O-CB 3.38Å; T49-K53 WeakPolarHBondContact O-CD 3.41Å; T49-K53 WeakPolarHBondContact O-CG 3.34Å; T49-K53 PolarHBondContact O-N 2.85Å; T49-K53 VanDerWaalsContact O-N 3.1Å; Q51-K53 PolarHBondContact O-N 3.02Å; K53-K57 WeakPolarHBondContact O-CB 3.28Å; K53-K57 PolarHBondContact O-N 3.36Å |
| 54 | T | 67.7 | Low | 59.9 | Low | 74 Ų | 74 | 130.6 Ų | 130.6 | 45% | 0.454 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69 | -42.4 | 178.9 | -51.8 | 0 | 0 | 0 | 0 | 110.8 | R50 Q51 I52 K57 Q58 | R50-T54 WeakPolarHBondContact O-CB 3.48Å; R50-T54 PolarHBondContact O-N 3.06Å; R50-T54 PolarHBondContact O-OG1 3.49Å; Q51-T54 PolarHBondContact O-N 3.24Å; Q51-T54 VanDerWaalsContact O-N 3.14Å; I52-T54 VanDerWaalsContact C-N 3.29Å; I52-T54 PolarHBondContact O-N 2.99Å; T54-K57 PolarHBondContact O-N 3.48Å; T54-Q58 WeakPolarHBondContact O-CB 3.38Å; T54-Q58 WeakPolarHBondContact O-CG 3.41Å; T54-Q58 PolarHBondContact O-N 3.03Å |
| 55 | Q | 67.9 | Low | 60.4 | Low | 109 Ų | 109 | 129.2 Ų | 129.2 | 51% | 0.509 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.1 | -44.2 | 173.6 | -76.7 | -170.4 | -7.8 | 0 | 0 | 112.4 | Q51 I52 K57 Q58 K59 | Q51-Q55 PolarHBondContact O-N 3.1Å; I52-Q55 PolarHBondContact O-N 2.85Å; Q55-K57 VanDerWaalsContact C-N 3.29Å; Q55-K57 PolarHBondContact O-N 2.88Å; Q55-Q58 PolarHBondContact O-N 3.22Å; Q55-K59 WeakPolarHBondContact O-CB 3.32Å; Q55-K59 WeakPolarHBondContact O-CG 3.29Å; Q55-K59 PolarHBondContact O-N 2.84Å |
| 56 | L | 68.4 | Low | 60.9 | Low | 90 Ų | 90 | 122.7 Ų | 122.7 | 47% | 0.471 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.2 | -30.1 | 177.3 | -70.2 | 173.9 | 0 | 0 | 0 | 112.3 | I52 R60 | I52-L56 HydrophobicContact CG2-CD1 3.88Å; I52-L56 HydrophobicContact CG2-CG 4.31Å; I52-L56 WeakPolarHBondContact O-CB 3.36Å; I52-L56 VanDerWaalsContact O-CG 3.28Å; I52-L56 WeakPolarHBondContact O-CG 3.36Å; I52-L56 PolarHBondContact O-N 2.92Å; L56-R60 WeakPolarHBondContact O-CB 3.34Å; L56-R60 PolarHBondContact O-N 2.89Å; L56-R60 VanDerWaalsContact O-N 3.07Å; L56-R60 PolarHBondContact O-NE 3.16Å |
| 57 | K | 66.6 | Low | 61.1 | Low | 137 Ų | 137 | 124.9 Ų | 124.9 | 60% | 0.596 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.1 | -46.3 | 172.4 | -169.1 | 176.7 | -179.8 | -177 | 0 | 110.5 | K53 T54 Q55 R60 Q61 | K53-K57 WeakPolarHBondContact O-CB 3.28Å; K53-K57 PolarHBondContact O-N 3.36Å; T54-K57 PolarHBondContact O-N 3.48Å; Q55-K57 VanDerWaalsContact C-N 3.29Å; Q55-K57 PolarHBondContact O-N 2.88Å; K57-R60 PolarHBondContact O-N 3.33Å; K57-Q61 WeakPolarHBondContact O-CB 3.44Å; K57-Q61 PolarHBondContact O-N 2.92Å |
| 58 | Q | 66.5 | Low | 61.3 | Low | 122 Ų | 122 | 126.1 Ų | 126.1 | 57% | 0.57 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.7 | -42.7 | 174.5 | -79.1 | 178.4 | -14.6 | 0 | 0 | 112.4 | T54 Q55 R60 Q61 W62 | T54-Q58 WeakPolarHBondContact O-CB 3.38Å; T54-Q58 WeakPolarHBondContact O-CG 3.41Å; T54-Q58 PolarHBondContact O-N 3.03Å; Q55-Q58 PolarHBondContact O-N 3.22Å; Q58-R60 PolarHBondContact O-N 3.45Å; Q58-Q61 PolarHBondContact O-N 2.94Å; Q58-W62 VanDerWaalsContact O-CB 3.28Å; Q58-W62 WeakPolarHBondContact O-CB 3.43Å; Q58-W62 PolarHBondContact O-N 3.47Å |
| 59 | K | 70.2 | Confident | 60.9 | Low | 140 Ų | 140 | 125.6 Ų | 125.6 | 61% | 0.609 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.4 | -42.5 | 175.5 | -77 | -175.4 | 176.6 | -176.8 | 0 | 112.1 | Q55 Q61 W62 E63 | Q55-K59 WeakPolarHBondContact O-CB 3.32Å; Q55-K59 WeakPolarHBondContact O-CG 3.29Å; Q55-K59 PolarHBondContact O-N 2.84Å; K59-Q61 VanDerWaalsContact C-N 3.35Å; K59-W62 PolarHBondContact O-N 3.31Å; K59-E63 WeakPolarHBondContact O-CB 3.21Å; K59-E63 PolarHBondContact O-N 3.37Å |
| 60 | R | 70.8 | Confident | 59.9 | Low | 175 Ų | 175 | 129.1 Ų | 129.1 | 66% | 0.66 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.8 | -38.4 | 173.2 | -85.1 | -176.7 | -73 | -160.4 | -1.8 | 112.5 | L56 K57 Q58 F64 | L56-R60 WeakPolarHBondContact O-CB 3.34Å; L56-R60 PolarHBondContact O-N 2.89Å; L56-R60 VanDerWaalsContact O-N 3.07Å; L56-R60 PolarHBondContact O-NE 3.16Å; K57-R60 PolarHBondContact O-N 3.33Å; Q58-R60 PolarHBondContact O-N 3.45Å; R60-F64 WeakPolarHBondContact O-CB 3.42Å; R60-F64 PolarHBondContact O-N 3.47Å |
| 61 | Q | 57.1 | Low | 58.8 | Low | 115 Ų | 115 | 124 Ų | 124 | 54% | 0.537 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -69.8 | -36.4 | 178.3 | -141.4 | 167.9 | -8.6 | 0 | 0 | 111.4 | K57 Q58 K59 F64 L65 | K57-Q61 WeakPolarHBondContact O-CB 3.44Å; K57-Q61 PolarHBondContact O-N 2.92Å; Q58-Q61 PolarHBondContact O-N 2.94Å; K59-Q61 VanDerWaalsContact C-N 3.35Å; Q61-F64 PolarHBondContact O-N 3.04Å; Q61-L65 WeakPolarHBondContact O-CB 3.41Å; Q61-L65 VanDerWaalsContact O-CG 3.26Å; Q61-L65 WeakPolarHBondContact O-CG 3.34Å; Q61-L65 PolarHBondContact O-N 3.41Å |
| 62 | W | 57.1 | Low | 58.3 | Low | 163 Ų | 163 | 124 Ų | 124 | 62% | 0.617 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69.5 | -45.3 | 175.1 | -171.6 | 85.7 | 0 | 0 | 0 | 111.8 | Q58 K59 F64 L65 N66 | Q58-W62 VanDerWaalsContact O-CB 3.28Å; Q58-W62 WeakPolarHBondContact O-CB 3.43Å; Q58-W62 PolarHBondContact O-N 3.47Å; K59-W62 PolarHBondContact O-N 3.31Å; W62-F64 VanDerWaalsContact C-N 3.3Å; W62-F64 PolarHBondContact O-N 3.47Å; W62-L65 PolarHBondContact O-N 3.22Å; W62-N66 WeakPolarHBondContact CH2-ND2 3.37Å; W62-N66 WeakPolarHBondContact CZ2-ND2 3.47Å; W62-N66 WeakPolarHBondContact CZ3-ND2 3.33Å; W62-N66 WeakPolarHBondContact O-CB 3.41Å; W62-N66 PolarHBondContact O-N 2.86Å |
| 63 | E | 62 | Low | 56.8 | Low | 91 Ų | 91 | 128.3 Ų | 128.3 | 43% | 0.425 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -58.6 | -41.8 | 170.1 | -97.4 | -105.6 | 159 | 0 | 0 | 111.8 | K59 L65 N66 R67 | K59-E63 WeakPolarHBondContact O-CB 3.21Å; K59-E63 PolarHBondContact O-N 3.37Å; E63-L65 VanDerWaalsContact C-N 3.34Å; E63-L65 PolarHBondContact O-N 3.49Å; E63-N66 PolarHBondContact O-N 2.99Å; E63-R67 WeakPolarHBondContact O-CB 3.28Å; E63-R67 VanDerWaalsContact O-CG 3.27Å; E63-R67 WeakPolarHBondContact O-CG 3.46Å; E63-R67 PolarHBondContact O-N 3.43Å; E63-R67 IonicContact OE1-NH2 3.93Å; E63-R67 IonicContact OE2-CZ 2.64Å; E63-R67 IonicContact OE2-NE 3.75Å; E63-R67 PolarHBondContact OE2-NE 3.23Å; E63-R67 IonicContact OE2-NH2 2.82Å; E63-R67 PolarHBondContact OE2-NH2 3.1Å |
| 64 | F | 65.2 | Low | 55.7 | Low | 114 Ų | 114 | 127.3 Ų | 127.3 | 50% | 0.5 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -63.4 | -38.4 | 177.3 | -177.1 | -92.3 | 0 | 0 | 0 | 112.3 | R60 Q61 W62 R68 | R60-F64 WeakPolarHBondContact O-CB 3.42Å; R60-F64 PolarHBondContact O-N 3.47Å; Q61-F64 PolarHBondContact O-N 3.04Å; W62-F64 VanDerWaalsContact C-N 3.3Å; W62-F64 PolarHBondContact O-N 3.47Å; F64-R68 PolarHBondContact O-N 3.33Å |
| 65 | L | 56.7 | Low | 54 | Low | 107 Ų | 107 | 133 Ų | 133 | 56% | 0.56 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -74 | -39.4 | 176 | -71.5 | 168.6 | 0 | 0 | 0 | 112.3 | Q61 W62 E63 R68 S69 | Q61-L65 WeakPolarHBondContact O-CB 3.41Å; Q61-L65 VanDerWaalsContact O-CG 3.26Å; Q61-L65 WeakPolarHBondContact O-CG 3.34Å; Q61-L65 PolarHBondContact O-N 3.41Å; W62-L65 PolarHBondContact O-N 3.22Å; E63-L65 VanDerWaalsContact C-N 3.34Å; E63-L65 PolarHBondContact O-N 3.49Å; L65-R68 PolarHBondContact O-N 2.99Å; L65-S69 PolarHBondContact O-N 2.88Å; L65-S69 VanDerWaalsContact O-N 3.12Å; L65-S69 PolarHBondContact O-OG 2.85Å |
| 66 | N | 56.5 | Low | 52.5 | Low | 80 Ų | 80 | 133.1 Ų | 133.1 | 43% | 0.428 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -63.8 | -40.2 | 175.1 | -94.9 | 9.1 | 0 | 0 | 0 | 112.4 | W62 E63 R68 | W62-N66 WeakPolarHBondContact CH2-ND2 3.37Å; W62-N66 WeakPolarHBondContact CZ2-ND2 3.47Å; W62-N66 WeakPolarHBondContact CZ3-ND2 3.33Å; W62-N66 WeakPolarHBondContact O-CB 3.41Å; W62-N66 PolarHBondContact O-N 2.86Å; E63-N66 PolarHBondContact O-N 2.99Å; N66-R68 PolarHBondContact O-N 3.33Å |
| 67 | R | 54.9 | Low | 50.9 | Low | 187 Ų | 187 | 134.1 Ų | 134.1 | 71% | 0.706 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71.2 | -19 | 179 | -71.4 | 177.8 | -173.2 | -124.2 | 1.4 | 113.4 | E63 | E63-R67 WeakPolarHBondContact O-CB 3.28Å; E63-R67 VanDerWaalsContact O-CG 3.27Å; E63-R67 WeakPolarHBondContact O-CG 3.46Å; E63-R67 PolarHBondContact O-N 3.43Å; E63-R67 IonicContact OE1-NH2 3.93Å; E63-R67 IonicContact OE2-CZ 2.64Å; E63-R67 IonicContact OE2-NE 3.75Å; E63-R67 PolarHBondContact OE2-NE 3.23Å; E63-R67 IonicContact OE2-NH2 2.82Å; E63-R67 PolarHBondContact OE2-NH2 3.1Å |
| 68 | R | 51.1 | Low | 49.5 | Very low | 195 Ų | 195 | 137.4 Ų | 137.4 | 74% | 0.736 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -98 | -15.6 | 178.8 | -88.6 | -175.7 | 163 | -162.8 | -4.6 | 114.3 | F64 L65 N66 L70 | F64-R68 PolarHBondContact O-N 3.33Å; L65-R68 PolarHBondContact O-N 2.99Å; N66-R68 PolarHBondContact O-N 3.33Å; R68-L70 PolarHBondContact O-N 3.32Å |
| 69 | S | 44.2 | Very low | 47.8 | Very low | 78 Ų | 78 | 135.6 Ų | 135.6 | 55% | 0.545 | 68% | 0.68 | S | S | . | * | trans | -96.7 | 86 | 178 | 39.7 | 0 | 0 | 0 | 0 | 110.5 | L65 | L65-S69 PolarHBondContact O-N 2.88Å; L65-S69 VanDerWaalsContact O-N 3.12Å; L65-S69 PolarHBondContact O-OG 2.85Å | ||
| 70 | L | 37.6 | Very low | 46.2 | Very low | 166 Ų | 166 | 137 Ų | 137 | 87% | 0.869 | 69% | 0.692 | S | S | * | * | trans | -102.7 | 88.1 | 165.9 | -71.4 | 173.8 | 0 | 0 | 0 | 109.4 | R68 | R68-L70 PolarHBondContact O-N 3.32Š| ||
| 71 | S | 33.5 | Very low | 44.6 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 74% | 0.741 | 69% | 0.694 | S | S | * | * | trans | -163.5 | 135.8 | 147.4 | -169.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 72 | P | 45 | Very low | 43.6 | Very low | 125 Ų | 125 | 135 Ų | 135 | 81% | 0.812 | 71% | 0.705 | S | S | * | * | trans | -91 | 106 | 178.1 | 34.1 | -25.6 | 0 | 0 | 0 | 110 | ||||
| 73 | E | 30.1 | Very low | 42.6 | Very low | 179 Ų | 179 | 132.7 Ų | 132.7 | 84% | 0.836 | 71% | 0.713 | S | S | * | * | trans | -113.8 | 131.7 | 160.9 | -116.3 | -176.2 | 175.2 | 0 | 0 | 109.9 | Q75 | E73-Q75 PolarHBondContact O-N 3.37Š| ||
| 74 | P | 41.1 | Very low | 41.4 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | trans | -82 | 101.8 | -173.5 | 32.2 | -29.9 | 0 | 0 | 0 | 109.4 | S76 | P74-S76 PolarHBondContact O-N 2.87Š| ||
| 75 | Q | 32.3 | Very low | 40.4 | Very low | 195 Ų | 195 | 136.1 Ų | 136.1 | 91% | 0.911 | 75% | 0.745 | S | S | * | * | trans | -77.5 | 95.3 | 166.8 | -80 | -174.5 | -3.5 | 0 | 0 | 110.4 | E73 S77 | E73-Q75 PolarHBondContact O-N 3.37Å; Q75-S77 PolarHBondContact O-N 3.4Å | ||
| 76 | S | 35.9 | Very low | 39.6 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | -67.6 | 107.3 | 155.3 | 55.9 | 0 | 0 | 0 | 0 | 109.9 | P74 | P74-S76 PolarHBondContact O-N 2.87Š| ||
| 77 | S | 34.9 | Very low | 39 | Very low | 111 Ų | 111 | 144 Ų | 144 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | 173.6 | 112.7 | 136.5 | 38.2 | 0 | 0 | 0 | 0 | 108.8 | Q75 C79 | Q75-S77 PolarHBondContact O-N 3.4Å; S77-C79 PolarHBondContact O-N 3.33Å; S77-C79 VanDerWaalsContact O-N 3.08Å | ||
| 78 | K | 37.3 | Very low | 38.5 | Very low | 206 Ų | 206 | 140.4 Ų | 140.4 | 90% | 0.896 | 78% | 0.775 | S | S | * | * | trans | -61.7 | 109.4 | 171.5 | -71.4 | 172.1 | 177.5 | 174.4 | 0 | 108.3 | I80 | K78-I80 PolarHBondContact O-N 2.96Š| ||
| 79 | C | 30.4 | Very low | 38 | Very low | 84 Ų | 84 | 136 Ų | 136 | 57% | 0.568 | 77% | 0.765 | S | S | * | * | trans | -76.3 | 111 | 161.8 | -173.7 | 0 | 0 | 0 | 0 | 107.9 | S77 I81 | S77-C79 PolarHBondContact O-N 3.33Å; S77-C79 VanDerWaalsContact O-N 3.08Å; C79-I81 PolarHBondContact O-N 3.01Å | ||
| 80 | I | 37.4 | Very low | 38.4 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 54.4 | 173.7 | -51.4 | 171.2 | 0 | 0 | 0 | 108.7 | K78 | K78-I80 PolarHBondContact O-N 2.96Š|
| 81 | I | 37.6 | Very low | 38.7 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 70% | 0.697 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.1 | 8.7 | 170.1 | -45.6 | 172 | 0 | 0 | 0 | 111.5 | C79 | C79-I81 PolarHBondContact O-N 3.01Š|
| 82 | C | 34.6 | Very low | 39.2 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 76% | 0.757 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -102.9 | 13.2 | 179.1 | -61.6 | 0 | 0 | 0 | 0 | 114 | ||
| 83 | S | 36.4 | Very low | 39 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -135 | 64.1 | 179.3 | -55 | 0 | 0 | 0 | 0 | 111 | ||
| 84 | T | 37.2 | Very low | 39.9 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | trans | -157.2 | 121.5 | 156.4 | 4.1 | 0 | 0 | 0 | 0 | 109.6 | L86 | T84-L86 PolarHBondContact O-N 3.15Š| ||
| 85 | D | 44.4 | Very low | 40 | Very low | 155 Ų | 155 | 131.8 Ų | 131.8 | 83% | 0.829 | 71% | 0.712 | S | S | * | * | trans | -59 | 113.4 | 173.5 | -70.8 | -51.4 | 0 | 0 | 0 | 110.8 | Y87 | D85-Y87 PolarHBondContact O-N 2.94Š| ||
| 86 | L | 40.4 | Very low | 40.3 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 67% | 0.67 | 70% | 0.698 | S | S | * | * | trans | -98.2 | 57.3 | 176.5 | -89 | 164.1 | 0 | 0 | 0 | 111.2 | T84 L89 | T84-L86 PolarHBondContact O-N 3.15Å; L86-L89 HydrophobicContact CD2-CD1 3.88Å | ||
| 87 | Y | 42.5 | Very low | 40.6 | Very low | 226 Ų | 226 | 131.5 Ų | 131.5 | 89% | 0.886 | 70% | 0.695 | S | S | * | * | trans | -97.3 | 10.1 | 176.5 | -108.7 | -81.3 | 0 | 0 | 0 | 115.1 | D85 | D85-Y87 PolarHBondContact O-N 2.94Š| ||
| 88 | S | 43.9 | Very low | 40.7 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 78% | 0.776 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -143.1 | 24.6 | -174.4 | 64.2 | 0 | 0 | 0 | 0 | 117.9 | ||
| 89 | L | 40.7 | Very low | 40.4 | Very low | 101 Ų | 101 | 135.4 Ų | 135.4 | 53% | 0.529 | 69% | 0.689 | S | S | . | * | trans | -117.6 | 126.4 | 176.8 | -88.6 | 135.2 | 0 | 0 | 0 | 113.2 | L86 H93 | L86-L89 HydrophobicContact CD2-CD1 3.88Å; L89-H93 HydrophobicContact CD2-CB 3.98Å | ||
| 90 | S | 54 | Low | 40.6 | Very low | 76 Ų | 76 | 136.4 Ų | 136.4 | 53% | 0.531 | 70% | 0.696 | S | S | . | * | trans | -64.5 | 149.7 | -179.9 | 75.2 | 0 | 0 | 0 | 0 | 112.7 | S92 H93 | S90-S92 PolarHBondContact O-N 3.3Å; S90-S92 PolarHBondContact OG-OG 2.86Å; S90-H93 PolarHBondContact O-N 3.3Å | ||
| 91 | E | 43.1 | Very low | 40.6 | Very low | 174 Ų | 174 | 139.6 Ų | 139.6 | 81% | 0.813 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -52.6 | -22.9 | -174.9 | -151.7 | 167.8 | -171.2 | 0 | 0 | 114.1 | H93 | E91-H93 PolarHBondContact O-N 2.8Å |
| 92 | S | 43.9 | Very low | 40.3 | Very low | 68 Ų | 68 | 138 Ų | 138 | 48% | 0.476 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -68.9 | -25.6 | 176.1 | 68.8 | 0 | 0 | 0 | 0 | 114.6 | S90 | S90-S92 PolarHBondContact O-N 3.3Å; S90-S92 PolarHBondContact OG-OG 2.86Å |
| 93 | H | 41.8 | Very low | 40.5 | Very low | 85 Ų | 85 | 142.3 Ų | 142.3 | 39% | 0.394 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -84.1 | -30.5 | -179.5 | -87 | -139.4 | 0 | 0 | 0 | 112.9 | L89 S90 E91 Y95 R96 L97 | L89-H93 HydrophobicContact CD2-CB 3.98Å; S90-H93 PolarHBondContact O-N 3.3Å; E91-H93 PolarHBondContact O-N 2.8Å; H93-Y95 VanDerWaalsContact C-N 3.34Å; H93-Y95 PolarHBondContact O-N 2.84Å; H93-R96 PolarHBondContact NE2-NH2 3.32Å; H93-R96 VanDerWaalsContact NE2-NH2 3.16Å; H93-R96 PolarHBondContact O-N 2.87Å; H93-L97 PolarHBondContact O-N 2.97Å |
| 94 | L | 48.3 | Very low | 40.2 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 56% | 0.56 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -67.7 | -34 | 175.6 | -75.3 | 166.6 | 0 | 0 | 0 | 112.1 | R96 L97 Y98 | L94-R96 PolarHBondContact O-N 3.32Å; L94-L97 PolarHBondContact O-N 2.73Å; L94-Y98 PolarHBondContact O-N 2.88Å |
| 95 | Y | 42.1 | Very low | 39.9 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 69% | 0.694 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -71.2 | -28.5 | 178.4 | -153.7 | -96 | 0 | 0 | 0 | 113.2 | H93 R99 | H93-Y95 VanDerWaalsContact C-N 3.34Å; H93-Y95 PolarHBondContact O-N 2.84Å; Y95-R99 PolarHBondContact O-N 3.35Å |
| 96 | R | 40.1 | Very low | 39.4 | Very low | 164 Ų | 164 | 144 Ų | 144 | 62% | 0.619 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -72.6 | -35.5 | 175.8 | -95.5 | -169.4 | -79.2 | -152.2 | 1.6 | 113.3 | H93 L94 R99 S100 | H93-R96 PolarHBondContact NE2-NH2 3.32Å; H93-R96 VanDerWaalsContact NE2-NH2 3.16Å; H93-R96 PolarHBondContact O-N 2.87Å; L94-R96 PolarHBondContact O-N 3.32Å; R96-R99 PolarHBondContact O-N 2.79Å; R96-S100 PolarHBondContact O-OG 3.08Å |
| 97 | L | 40.7 | Very low | 39.3 | Very low | 134 Ų | 134 | 143.7 Ų | 143.7 | 70% | 0.702 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -70.8 | -34.3 | 177.5 | -72.2 | 168.3 | 0 | 0 | 0 | 112 | H93 L94 | H93-L97 PolarHBondContact O-N 2.97Å; L94-L97 PolarHBondContact O-N 2.73Å |
| 98 | Y | 38.7 | Very low | 38.6 | Very low | 202 Ų | 202 | 141 Ų | 141 | 79% | 0.792 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -71.7 | -29 | 176.8 | -121.3 | -95.1 | 0 | 0 | 0 | 113.4 | L94 S100 | L94-Y98 PolarHBondContact O-N 2.88Å; Y98-S100 VanDerWaalsContact C-N 3.35Å; Y98-S100 PolarHBondContact O-N 3.37Å |
| 99 | R | 31.1 | Very low | 38 | Very low | 198 Ų | 198 | 141.6 Ų | 141.6 | 75% | 0.747 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -75.3 | -21.6 | -178.6 | -154.3 | 173.6 | -149.8 | -168.5 | 6.3 | 113.9 | Y95 R96 | Y95-R99 PolarHBondContact O-N 3.35Å; R96-R99 PolarHBondContact O-N 2.79Å |
| 100 | S | 33.6 | Very low | 37.2 | Very low | 104 Ų | 104 | 146.6 Ų | 146.6 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -10.3 | -175.8 | -55.6 | 0 | 0 | 0 | 0 | 113.9 | R96 Y98 | R96-S100 PolarHBondContact O-OG 3.08Å; Y98-S100 VanDerWaalsContact C-N 3.35Å; Y98-S100 PolarHBondContact O-N 3.37Å |
| 101 | R | 36.5 | Very low | 35.9 | Very low | 237 Ų | 237 | 148.2 Ų | 148.2 | 89% | 0.894 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -6 | -180 | -160.7 | 173 | 178.9 | -169.7 | -0 | 114.1 | ||
| 102 | S | 33.3 | Very low | 35.2 | Very low | 103 Ų | 103 | 148.6 Ų | 148.6 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -97.4 | 5.2 | -172.5 | -174.6 | 0 | 0 | 0 | 0 | 115.3 | ||
| 103 | K | 38.4 | Very low | 34.3 | Very low | 201 Ų | 201 | 155.9 Ų | 155.9 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | trans | -133 | 87.2 | 179.1 | -75.5 | -172.6 | 176.4 | -176.1 | 0 | 111.9 | ||||
| 104 | S | 29.7 | Very low | 33.5 | Very low | 116 Ų | 116 | 159.7 Ų | 159.7 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | trans | -166.5 | 88.2 | 152.1 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 105 | E | 31.3 | Very low | 32.4 | Very low | 150 Ų | 150 | 159.8 Ų | 159.8 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | trans | -49.7 | 159.1 | 150.2 | -74.5 | -172.3 | 145.3 | 0 | 0 | 110.3 | ||||
| 106 | K | 32.8 | Very low | 31.6 | Very low | 162 Ų | 162 | 156.7 Ų | 156.7 | 70% | 0.704 | 78% | 0.781 | S | S | * | * | cis | -169.2 | 171.4 | 12.6 | -113.7 | 161.4 | -169.1 | 150.3 | 0 | 107 | ||||
| 107 | P | 39.8 | Very low | 31 | Very low | 121 Ų | 121 | 152.5 Ų | 152.5 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | trans | -88.7 | 150.2 | -171.6 | 35.4 | -31.2 | 0 | 0 | 0 | 113 | ||||
| 108 | L | 27.1 | Very low | 30.5 | Very low | 169 Ų | 169 | 153.8 Ų | 153.8 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | trans | -117.7 | 116.6 | 165.8 | -164.9 | 75.9 | 0 | 0 | 0 | 110.4 | ||||
| 109 | T | 30 | Very low | 30 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | trans | -58.8 | 135.9 | 163.7 | 23.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 110 | K | 25.5 | Very low | 29.8 | Very low | 205 Ų | 205 | 146 Ų | 146 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | trans | -147.1 | 108.7 | 146.8 | -144.1 | 172.4 | -174.3 | 177.6 | 0 | 112.2 | ||||
| 111 | T | 26.3 | Very low | 29.6 | Very low | 111 Ų | 111 | 148 Ų | 148 | 68% | 0.681 | 78% | 0.784 | S | S | * | * | trans | -52.8 | 140.6 | 160.9 | -55 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 112 | Q | 27.6 | Very low | 29.1 | Very low | 182 Ų | 182 | 145.7 Ų | 145.7 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | -145.3 | 107.5 | 137.5 | -119.5 | 172.2 | 11.2 | 0 | 0 | 109.7 | ||||
| 113 | R | 25.1 | Very low | 28.7 | Very low | 221 Ų | 221 | 147.3 Ų | 147.3 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | -74.6 | 142.1 | 153.2 | -67.2 | -178.5 | -151.4 | 175 | 6.3 | 107.1 | ||||
| 114 | L | 24.7 | Very low | 28.2 | Very low | 165 Ų | 165 | 146 Ų | 146 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -135.6 | 123.2 | 136.3 | -92.2 | 116.9 | 0 | 0 | 0 | 108.2 | ||||
| 115 | S | 26.3 | Very low | 28.2 | Very low | 108 Ų | 108 | 147.1 Ų | 147.1 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | -96.4 | 165.5 | 167.3 | 157 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 116 | S | 25.3 | Very low | 28 | Very low | 113 Ų | 113 | 146.1 Ų | 146.1 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | 113.3 | 138.1 | 156.7 | -170 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 117 | A | 27.9 | Very low | 28.3 | Very low | 76 Ų | 76 | 143.6 Ų | 143.6 | 63% | 0.628 | 78% | 0.783 | S | S | * | * | cis | -172.9 | 162.4 | -17.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 118 | D | 29.5 | Very low | 27.6 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | 71.7 | 132.9 | 152.1 | -78.9 | -15.8 | 0 | 0 | 0 | 124 | ||||
| 119 | G | 27.5 | Very low | 27.5 | Very low | 69 Ų | 69 | 149.6 Ų | 149.6 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | 144.4 | 80.2 | 145.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 120 | H | 28 | Very low | 27.3 | Very low | 167 Ų | 167 | 147.3 Ų | 147.3 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | 3.6 | 156.5 | 144.7 | -69.5 | -87.2 | 0 | 0 | 0 | 120.3 | ||||
| 121 | Q | 28 | Very low | 27.5 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | cis | 170.9 | 140 | -5.9 | 171.2 | 165.7 | 6.4 | 0 | 0 | 107.1 | ||||
| 122 | E | 26.3 | Very low | 27.5 | Very low | 188 Ų | 188 | 144 Ų | 144 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | 170.3 | 101.2 | 143.5 | -100.3 | -177.5 | 173.4 | 0 | 0 | 109 | ||||
| 123 | M | 26.2 | Very low | 27.5 | Very low | 137 Ų | 137 | 142.1 Ų | 142.1 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | 61.6 | 97.3 | 84.8 | -89.2 | -160.1 | 77.2 | 0 | 0 | 116.8 | L125 | M123-L125 HydrophobicContact CE-CD2 4.11Å; M123-L125 HydrophobicContact CE-CG 4.38Å | |||
| 124 | I | 28.3 | Very low | 27.6 | Very low | 173 Ų | 173 | 139.6 Ų | 139.6 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | -141.4 | 145.2 | 127.7 | -59.8 | -171.1 | 0 | 0 | 0 | 108.2 | |||||
| 125 | L | 28.1 | Very low | 27.8 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | -77.6 | 148.2 | -154.3 | -65 | 149.6 | 0 | 0 | 0 | 117.5 | M123 | M123-L125 HydrophobicContact CE-CD2 4.11Å; M123-L125 HydrophobicContact CE-CG 4.38Å | ||
| 126 | T | 28.2 | Very low | 27.9 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -65.6 | 179.4 | 165 | 39.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 127 | P | 38.8 | Very low | 28.1 | Very low | 110 Ų | 110 | 139.7 Ų | 139.7 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | cis | -147.3 | 160 | 22.2 | 39.9 | -17.3 | 0 | 0 | 0 | 121 | ||||
| 128 | E | 25.1 | Very low | 28.4 | Very low | 175 Ų | 175 | 145.4 Ų | 145.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 48 | 121.8 | 136.9 | -65.8 | -86.4 | 143.9 | 0 | 0 | 122.4 | ||||
| 129 | R | 25.6 | Very low | 28.6 | Very low | 241 Ų | 241 | 148.8 Ų | 148.8 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | 146.6 | 130.9 | 109.9 | -173.3 | 178.7 | -85.4 | -145.7 | -2.2 | 112.1 | |||||
| 130 | G | 25.6 | Very low | 28.9 | Very low | 77 Ų | 77 | 150.2 Ų | 150.2 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | 140.6 | 105.7 | 152.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 131 | S | 29 | Very low | 29.2 | Very low | 101 Ų | 101 | 149.9 Ų | 149.9 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | -62.4 | 163.5 | 171.2 | -162.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 132 | D | 27 | Very low | 29.5 | Very low | 146 Ų | 146 | 150 Ų | 150 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | trans | 94.6 | 97.1 | 154.3 | -50.2 | -28 | 0 | 0 | 0 | 118.5 | ||||
| 133 | C | 27.9 | Very low | 29.7 | Very low | 142 Ų | 142 | 152.7 Ų | 152.7 | 96% | 0.959 | 81% | 0.808 | S | S | * | * | trans | -97.7 | 108.5 | 156.9 | -74.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 134 | L | 27.1 | Very low | 29.9 | Very low | 168 Ų | 168 | 151.5 Ų | 151.5 | 88% | 0.88 | 81% | 0.813 | S | S | * | * | trans | -83.3 | 116.1 | 174.7 | -164.6 | 74.7 | 0 | 0 | 0 | 110 | N136 | L134-N136 PolarHBondContact O-N 3.14Š| ||
| 135 | S | 29 | Very low | 29.8 | Very low | 98 Ų | 98 | 152.7 Ų | 152.7 | 69% | 0.685 | 82% | 0.815 | S | S | * | * | trans | -71.4 | 112 | 172.9 | 153.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 136 | N | 26.8 | Very low | 29.8 | Very low | 153 Ų | 153 | 151.4 Ų | 151.4 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -98.9 | 102.2 | 177.9 | -144.4 | 1.7 | 0 | 0 | 0 | 110.2 | L134 | L134-N136 PolarHBondContact O-N 3.14Š| ||
| 137 | N | 31.3 | Very low | 29.7 | Very low | 136 Ų | 136 | 151.7 Ų | 151.7 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | -95.8 | 115.2 | 177 | -96 | -25 | 0 | 0 | 0 | 110.6 | ||||
| 138 | K | 32.3 | Very low | 29.3 | Very low | 197 Ų | 197 | 152.5 Ų | 152.5 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | trans | -106.5 | 28 | -171.7 | -145.2 | -177.9 | -173.2 | -176 | 0 | 114.6 | ||||
| 139 | W | 34.3 | Very low | 29.3 | Very low | 232 Ų | 232 | 149 Ų | 149 | 88% | 0.879 | 83% | 0.826 | S | S | * | * | trans | -108.9 | 3.4 | -174.6 | -72.5 | 108.8 | 0 | 0 | 0 | 115.6 | ||||
| 140 | A | 33.8 | Very low | 29.4 | Very low | 98 Ų | 98 | 144 Ų | 144 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 20.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 141 | L | 35.6 | Very low | 29.5 | Very low | 161 Ų | 161 | 149.6 Ų | 149.6 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.2 | 10.2 | -175.8 | -81.6 | 170.1 | 0 | 0 | 0 | 116.1 | ||
| 142 | L | 32.7 | Very low | 29.3 | Very low | 148 Ų | 148 | 153.7 Ų | 153.7 | 78% | 0.775 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -93 | -0.9 | -179 | -127.3 | 85.3 | 0 | 0 | 0 | 115.5 | ||
| 143 | W | 31.6 | Very low | 29.2 | Very low | 244 Ų | 244 | 156.4 Ų | 156.4 | 92% | 0.924 | 84% | 0.841 | S | S | * | * | trans | -131.4 | 76 | -178.4 | -62 | 100.9 | 0 | 0 | 0 | 111.1 | ||||
| 144 | S | 30.4 | Very low | 29.1 | Very low | 112 Ų | 112 | 159.7 Ų | 159.7 | 78% | 0.783 | 84% | 0.839 | S | S | * | * | trans | -138.5 | 99.5 | 161 | -71.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 145 | E | 25.6 | Very low | 29.1 | Very low | 198 Ų | 198 | 155 Ų | 155 | 93% | 0.925 | 83% | 0.831 | S | S | * | * | trans | -77.9 | 127.1 | 170.3 | -154.7 | 166 | -159.6 | 0 | 0 | 108.2 | ||||
| 146 | S | 29.1 | Very low | 28.9 | Very low | 114 Ų | 114 | 160 Ų | 160 | 80% | 0.797 | 84% | 0.844 | S | S | * | * | trans | -88.6 | 115.5 | -174.9 | 44.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 147 | T | 25.3 | Very low | 28.8 | Very low | 135 Ų | 135 | 157.2 Ų | 157.2 | 83% | 0.828 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 135.6 | 163 | 44.1 | 0 | 0 | 0 | 0 | 110.8 | ||
| 148 | P | 31 | Very low | 28.6 | Very low | 127 Ų | 127 | 160.8 Ų | 160.8 | 83% | 0.825 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 127.6 | 174.3 | 31.5 | -29.3 | 0 | 0 | 0 | 111 | ||
| 149 | A | 24.4 | Very low | 28.4 | Very low | 102 Ų | 102 | 158.3 Ų | 158.3 | 84% | 0.843 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 124.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 150 | T | 27.1 | Very low | 28.1 | Very low | 134 Ų | 134 | 154.8 Ų | 154.8 | 82% | 0.822 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 135.6 | 161.9 | 43.7 | 0 | 0 | 0 | 0 | 111.1 | ||
| 151 | K | 27.9 | Very low | 27.6 | Very low | 195 Ų | 195 | 155.9 Ų | 155.9 | 85% | 0.848 | 83% | 0.825 | S | S | * | * | trans | -177.8 | 112.5 | 140.9 | -99.2 | 168.2 | -174.4 | -171.9 | 0 | 107.7 | ||||
| 152 | E | 25.5 | Very low | 27.3 | Very low | 188 Ų | 188 | 152.7 Ų | 152.7 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | 61.1 | 100.8 | 93.5 | -111 | -170.4 | 163.8 | 0 | 0 | 114 | |||||
| 153 | E | 24.6 | Very low | 26.9 | Very low | 202 Ų | 202 | 151.9 Ų | 151.9 | 94% | 0.944 | 82% | 0.817 | S | S | * | * | trans | -158 | 141.4 | 134.6 | -133.4 | 179.4 | 176.6 | 0 | 0 | 112.2 | ||||
| 154 | K | 26 | Very low | 26.7 | Very low | 211 Ų | 211 | 145.9 Ų | 145.9 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | trans | -85.6 | 150.1 | -177.3 | -84.7 | 169.7 | 168.2 | 170 | 0 | 111.5 | ||||
| 155 | G | 26.1 | Very low | 26.5 | Very low | 71 Ų | 71 | 144.8 Ų | 144.8 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | 151 | 84.9 | 147.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 156 | Q | 26 | Very low | 26.7 | Very low | 201 Ų | 201 | 141.6 Ų | 141.6 | 94% | 0.939 | 81% | 0.805 | S | S | * | * | trans | 33.1 | 121 | 139.8 | -74.8 | 176.4 | -24.5 | 0 | 0 | 122.2 | ||||
| 157 | A | 25.1 | Very low | 26.4 | Very low | 96 Ų | 96 | 144.2 Ų | 144.2 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | 141.9 | 120.7 | 103.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 158 | R | 26.1 | Very low | 26.5 | Very low | 211 Ų | 211 | 143.6 Ų | 143.6 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | 81.4 | 113.8 | 130.9 | -151.6 | 173.3 | -162.2 | -167.1 | 3.8 | 121.4 | ||||
| 159 | K | 29 | Very low | 26.3 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 63% | 0.63 | 80% | 0.795 | S | S | * | * | trans | 81.5 | 121.6 | 137.1 | -83.6 | -178.6 | 178.2 | -171.1 | 0 | 121.7 | ||||
| 160 | Q | 28 | Very low | 26.6 | Very low | 157 Ų | 157 | 147.3 Ų | 147.3 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | 85.5 | 111.9 | 123.7 | -80.9 | -177.9 | -15.9 | 0 | 0 | 121.5 | |||||
| 161 | T | 23.1 | Very low | 26.6 | Very low | 121 Ų | 121 | 149.1 Ų | 149.1 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | 85.2 | 129.9 | 128.8 | -30.7 | 0 | 0 | 0 | 0 | 120 | |||||
| 162 | S | 29.2 | Very low | 26.5 | Very low | 95 Ų | 95 | 151 Ų | 151 | 66% | 0.664 | 80% | 0.801 | S | S | * | * | trans | 105.3 | 99.2 | 142 | -57 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 163 | T | 24.6 | Very low | 26.5 | Very low | 130 Ų | 130 | 152.8 Ų | 152.8 | 80% | 0.798 | 80% | 0.8 | S | S | * | * | 38.5 | 119.5 | 121.8 | 18.9 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 164 | S | 25.9 | Very low | 26.7 | Very low | 118 Ų | 118 | 152.5 Ų | 152.5 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | 161.5 | 132.2 | 102.6 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 165 | A | 27.2 | Very low | 26.7 | Very low | 90 Ų | 90 | 148.6 Ų | 148.6 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | 165.9 | 94.9 | 151.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 166 | T | 28.6 | Very low | 26.9 | Very low | 130 Ų | 130 | 153.4 Ų | 153.4 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | 59.2 | 90.3 | 97.5 | -42 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 167 | E | 24.7 | Very low | 27 | Very low | 170 Ų | 170 | 151.9 Ų | 151.9 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | 46 | 118.2 | 98 | -75.2 | -168.2 | 174.2 | 0 | 0 | 112.8 | |||||
| 168 | T | 25.8 | Very low | 27.1 | Very low | 122 Ų | 122 | 153.5 Ų | 153.5 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | -178.5 | 124.5 | 63.3 | 5.6 | 0 | 0 | 0 | 0 | 106 | |||||
| 169 | S | 27.4 | Very low | 27.2 | Very low | 102 Ų | 102 | 148 Ų | 148 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | 104.7 | 121 | 85.8 | 65.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 170 | Q | 31.8 | Very low | 27.3 | Very low | 205 Ų | 205 | 147.9 Ų | 147.9 | 96% | 0.958 | 80% | 0.797 | S | S | * | * | trans | -150.2 | 126.1 | 138.3 | -108.5 | -178.7 | 14.3 | 0 | 0 | 110.6 | ||||
| 171 | H | 27.3 | Very low | 27.4 | Very low | 172 Ų | 172 | 147.2 Ų | 147.2 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | trans | -75 | 136.7 | -167.6 | -107.8 | -66.8 | 0 | 0 | 0 | 113.1 | ||||
| 172 | R | 25.7 | Very low | 27.5 | Very low | 234 Ų | 234 | 148.2 Ų | 148.2 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -104.3 | 117.2 | 157.9 | -172.6 | 176.5 | -175.7 | 167.2 | 1.9 | 108 | ||||
| 173 | R | 25.6 | Very low | 27.6 | Very low | 226 Ų | 226 | 149 Ų | 149 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -97 | 129.1 | 168.9 | -80.7 | -171.3 | 178.6 | -174.6 | 0.7 | 110.3 | ||||
| 174 | K | 27.1 | Very low | 27.9 | Very low | 195 Ų | 195 | 150.6 Ų | 150.6 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | -91.4 | 149.7 | 165.8 | -85.5 | 176.9 | 171.6 | 176.8 | 0 | 109.1 | ||||
| 175 | T | 26.8 | Very low | 28.1 | Very low | 130 Ų | 130 | 154.2 Ų | 154.2 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | trans | -157.1 | 98.8 | 150.5 | -21.7 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 176 | Q | 29.5 | Very low | 28.3 | Very low | 171 Ų | 171 | 156.4 Ų | 156.4 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | 63.6 | 99.8 | 79.4 | -155.9 | 176.9 | 16.4 | 0 | 0 | 111.8 | |||||
| 177 | N | 29.3 | Very low | 28.2 | Very low | 170 Ų | 170 | 155.1 Ų | 155.1 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | trans | -126.6 | 132.2 | 164.1 | -89.1 | -7.5 | 0 | 0 | 0 | 110.1 | ||||
| 178 | T | 27.6 | Very low | 28.5 | Very low | 130 Ų | 130 | 152.9 Ų | 152.9 | 80% | 0.798 | 82% | 0.815 | S | S | * | * | trans | -78.8 | 141.6 | -168.6 | -53.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 179 | S | 28.1 | Very low | 28.8 | Very low | 96 Ų | 96 | 153.2 Ų | 153.2 | 67% | 0.671 | 81% | 0.811 | S | S | * | * | trans | -88 | 141.2 | 167.3 | 72.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 180 | T | 30.5 | Very low | 28.8 | Very low | 141 Ų | 141 | 156.5 Ų | 156.5 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | trans | -141.4 | 128.6 | 146.7 | 41.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 181 | N | 29 | Very low | 28.7 | Very low | 143 Ų | 143 | 154.5 Ų | 154.5 | 77% | 0.765 | 81% | 0.805 | S | S | * | * | trans | -76.8 | 151.3 | -178.8 | -67.5 | -43.3 | 0 | 0 | 0 | 111.7 | ||||
| 182 | T | 26.8 | Very low | 28.7 | Very low | 142 Ų | 142 | 155.1 Ų | 155.1 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | trans | -167.5 | 103.8 | 132.6 | 9.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 183 | V | 29.9 | Very low | 28.9 | Very low | 112 Ų | 112 | 149.5 Ų | 149.5 | 68% | 0.679 | 80% | 0.802 | S | S | * | * | trans | 12.6 | 124.7 | 137.6 | -173.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 184 | N | 31.6 | Very low | 29.4 | Very low | 164 Ų | 164 | 144.5 Ų | 144.5 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | -158.7 | 142.8 | 122.3 | -91 | -24.9 | 0 | 0 | 0 | 113.7 | |||||
| 185 | K | 31 | Very low | 29.8 | Very low | 193 Ų | 193 | 139.5 Ų | 139.5 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -71.6 | 153.2 | -164.6 | -77.6 | 166 | 168.5 | 170.9 | 0 | 114.6 | ||||
| 186 | T | 29.8 | Very low | 30.3 | Very low | 136 Ų | 136 | 142.2 Ų | 142.2 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | -54 | 144.3 | 161.5 | 38.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 187 | A | 27.2 | Very low | 30.6 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -142.1 | 128.5 | 152.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 188 | T | 30.4 | Very low | 30.9 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -90.1 | 130.6 | -169.3 | -36.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 189 | I | 32.2 | Very low | 31.5 | Very low | 129 Ų | 129 | 143.9 Ų | 143.9 | 66% | 0.662 | 80% | 0.799 | S | S | * | * | trans | 39.3 | 122.7 | 140.6 | -53.3 | 172.6 | 0 | 0 | 0 | 118.3 | ||||
| 190 | H | 27.7 | Very low | 32.1 | Very low | 170 Ų | 170 | 147.5 Ų | 147.5 | 79% | 0.787 | 80% | 0.803 | S | S | * | * | -173.1 | 127.8 | 111.3 | -100.1 | -60.9 | 0 | 0 | 0 | 114.9 | |||||
| 191 | Q | 29.1 | Very low | 32.8 | Very low | 163 Ų | 163 | 147.7 Ų | 147.7 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | 88.4 | 131.1 | 132.5 | -131.2 | 173.6 | 11 | 0 | 0 | 121.6 | ||||
| 192 | K | 27.8 | Very low | 33.1 | Very low | 186 Ų | 186 | 152 Ų | 152 | 81% | 0.809 | 80% | 0.803 | S | S | * | * | trans | 100.1 | 134 | 149.7 | -90 | 168 | -177.3 | 177.5 | 0 | 121 | ||||
| 193 | S | 30.2 | Very low | 33.9 | Very low | 115 Ų | 115 | 154.2 Ų | 154.2 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 84.7 | 96.7 | 153.8 | 66.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 194 | S | 36.1 | Very low | 34.4 | Very low | 121 Ų | 121 | 156.4 Ų | 156.4 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -49.6 | 153 | 139.8 | 166.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 195 | A | 35.4 | Very low | 34.9 | Very low | 91 Ų | 91 | 156.3 Ų | 156.3 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | 93 | 62 | 169.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 196 | Q | 36.4 | Very low | 35.5 | Very low | 186 Ų | 186 | 151.9 Ų | 151.9 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -154 | 7.3 | 154.8 | -139.8 | 172.6 | -14.2 | 0 | 0 | 117.6 | ||||
| 197 | T | 36.2 | Very low | 36.3 | Very low | 122 Ų | 122 | 151.8 Ų | 151.8 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -90.7 | -8 | -172.1 | -3.5 | 0 | 0 | 0 | 0 | 115.4 | ||
| 198 | E | 35.6 | Very low | 36.9 | Very low | 185 Ų | 185 | 155 Ų | 155 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -11.9 | -174.8 | -71.5 | -175.7 | 160.2 | 0 | 0 | 114.8 | ||
| 199 | K | 41.4 | Very low | 37.9 | Very low | 200 Ų | 200 | 155.9 Ų | 155.9 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -3.7 | -179 | -73.6 | -174.5 | 179.5 | 178.3 | 0 | 115.3 | ||
| 200 | K | 40.4 | Very low | 38.2 | Very low | 172 Ų | 172 | 158.5 Ų | 158.5 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -99 | -12.6 | -176.1 | -155.1 | 169.1 | -178.6 | -179.1 | 0 | 114.9 | ||
| 201 | I | 44.4 | Very low | 38.9 | Very low | 144 Ų | 144 | 155.8 Ų | 155.8 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -13.2 | -175.8 | -62.8 | 173 | 0 | 0 | 0 | 112.8 | ||
| 202 | R | 34.9 | Very low | 40 | Very low | 234 Ų | 234 | 151.5 Ų | 151.5 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 3.5 | -173.6 | -96.8 | -174.6 | 178 | -131.3 | 1.7 | 116.7 | ||
| 203 | K | 43.9 | Very low | 40.9 | Very low | 188 Ų | 188 | 151.8 Ų | 151.8 | 82% | 0.817 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -114.5 | 7.8 | -173.3 | -93.5 | -173 | 175.7 | -175 | 0 | 116.9 | ||
| 204 | E | 41 | Very low | 41.7 | Very low | 158 Ų | 158 | 152.7 Ų | 152.7 | 74% | 0.738 | 81% | 0.807 | S | S | * | * | trans | -124 | 31.1 | -176.6 | -70.5 | -179.9 | -177.7 | 0 | 0 | 113.9 | ||||
| 205 | I | 41 | Very low | 42.9 | Very low | 163 Ų | 163 | 152.2 Ų | 152.2 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -98.3 | -8.5 | 172.4 | -63.4 | 175.4 | 0 | 0 | 0 | 111.9 | ||
| 206 | S | 44.7 | Very low | 44.3 | Very low | 99 Ų | 99 | 151.8 Ų | 151.8 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -115.8 | 100.3 | 175.9 | 58.8 | 0 | 0 | 0 | 0 | 109.6 | ||
| 207 | V | 46.4 | Very low | 46.5 | Very low | 134 Ų | 134 | 149.2 Ų | 149.2 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | trans | 153.8 | 108.8 | 144.5 | 168.9 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 208 | Q | 40.2 | Very low | 48.7 | Very low | 173 Ų | 173 | 150.3 Ų | 150.3 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | 174.5 | 97.5 | 140.3 | -95.1 | 163.6 | 20.6 | 0 | 0 | 109.8 | ||||
| 209 | T | 50.2 | Low | 51.1 | Low | 140 Ų | 140 | 145 Ų | 145 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | trans | -136.4 | 92.4 | 145.9 | 37.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 210 | E | 39.8 | Very low | 53.4 | Low | 184 Ų | 184 | 139.5 Ų | 139.5 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -166.4 | 128.9 | 152.5 | -110.5 | 166.6 | -165.8 | 0 | 0 | 109.7 | ||
| 211 | S | 42.8 | Very low | 55.6 | Low | 113 Ų | 113 | 135.2 Ų | 135.2 | 79% | 0.79 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 45.6 | 93.9 | 168.9 | 63 | 0 | 0 | 0 | 0 | 119.1 | F213 | S211-F213 PolarHBondContact O-N 3.46Š|
| 212 | G | 52.1 | Low | 57.9 | Low | 74 Ų | 74 | 133.3 Ų | 133.3 | 76% | 0.763 | 71% | 0.706 | S | S | * | * | S | Bend | 68.4 | 29.7 | 117.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||
| 213 | F | 45.2 | Very low | 60.6 | Low | 192 Ų | 192 | 128.6 Ų | 128.6 | 84% | 0.842 | 69% | 0.688 | S | S | * | * | trans | -146.6 | 105.6 | 155 | -83.8 | -84.7 | 0 | 0 | 0 | 109.6 | S211 T215 | S211-F213 PolarHBondContact O-N 3.46Å; F213-T215 VanDerWaalsContact C-N 3.3Å; F213-T215 PolarHBondContact O-N 2.83Å | ||
| 214 | V | 47.3 | Very low | 63 | Low | 134 Ų | 134 | 124.4 Ų | 124.4 | 81% | 0.812 | 67% | 0.674 | S | S | * | * | trans | -69.8 | 95.4 | 164 | 179.2 | 0 | 0 | 0 | 0 | 106.2 | V216 | V214-V216 HydrophobicContact CG1-CG2 4.11Å; V214-V216 PolarHBondContact O-N 3.41Å | ||
| 215 | T | 61.3 | Low | 65.5 | Low | 110 Ų | 110 | 120.1 Ų | 120.1 | 68% | 0.675 | 66% | 0.662 | S | S | * | * | trans | -71.6 | 87.5 | 170.8 | 48.9 | 0 | 0 | 0 | 0 | 107.5 | F213 K217 | F213-T215 VanDerWaalsContact C-N 3.3Å; F213-T215 PolarHBondContact O-N 2.83Å; T215-K217 PolarHBondContact O-N 3.17Å; T215-K217 VanDerWaalsContact O-N 3.1Å | ||
| 216 | V | 64.8 | Low | 68.1 | Low | 83 Ų | 83 | 117.3 Ų | 117.3 | 50% | 0.503 | 65% | 0.649 | S | S | . | * | trans | -57.7 | 119.3 | 171.8 | -177.3 | 0 | 0 | 0 | 0 | 106.7 | V214 E218 E220 V221 | V214-V216 HydrophobicContact CG1-CG2 4.11Å; V214-V216 PolarHBondContact O-N 3.41Å; V216-E218 PolarHBondContact O-N 3.39Å; V216-E220 HydrophobicContact CG1-CB 4.1Å; V216-V221 HydrophobicContact CB-CG2 4.42Å; V216-V221 HydrophobicContact CG1-CG2 3.61Å | ||
| 217 | K | 81.9 | Confident | 70.6 | Confident | 132 Ų | 132 | 118.9 Ų | 118.9 | 57% | 0.574 | 64% | 0.64 | S | S | * | * | trans | -63.9 | 138.2 | -178.5 | -64.7 | 180 | 179.8 | -179.7 | 0 | 108 | T215 S219 E220 V221 | T215-K217 PolarHBondContact O-N 3.17Å; T215-K217 VanDerWaalsContact O-N 3.1Å; K217-S219 PolarHBondContact O-N 2.93Å; K217-S219 VanDerWaalsContact O-N 3.08Å; K217-E220 HydrophobicContact CB-CG 4.21Å; K217-E220 WeakPolarHBondContact O-CA 3.38Å; K217-E220 WeakPolarHBondContact O-CB 3.47Å; K217-E220 PolarHBondContact O-N 2.93Å; K217-V221 PolarHBondContact O-N 3.24Å | ||
| 218 | E | 83 | Confident | 72.9 | Confident | 145 Ų | 145 | 117.7 Ų | 117.7 | 68% | 0.678 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -54.7 | -32.4 | 178.7 | -168.4 | -179.1 | 171.6 | 0 | 0 | 112 | V216 E220 V221 Q222 | V216-E218 PolarHBondContact O-N 3.39Å; E218-E220 VanDerWaalsContact C-N 3.31Å; E218-E220 PolarHBondContact O-N 3.41Å; E218-V221 PolarHBondContact O-N 2.89Å; E218-Q222 WeakPolarHBondContact O-CB 3.46Å; E218-Q222 VanDerWaalsContact O-CG 3.31Å; E218-Q222 WeakPolarHBondContact O-CG 3.07Å; E218-Q222 PolarHBondContact O-N 2.94Å; E218-Q222 PolarHBondContact OE1-NE2 3.05Å |
| 219 | S | 87.2 | Confident | 75.5 | Confident | 72 Ų | 72 | 115.8 Ų | 115.8 | 50% | 0.503 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.7 | -30.3 | 173.4 | 58 | 0 | 0 | 0 | 0 | 114.2 | K217 R223 | K217-S219 PolarHBondContact O-N 2.93Å; K217-S219 VanDerWaalsContact O-N 3.08Å; S219-R223 VanDerWaalsContact O-CB 3.25Å; S219-R223 WeakPolarHBondContact O-CB 3.38Å; S219-R223 PolarHBondContact O-N 3.46Å |
| 220 | E | 87.9 | Confident | 77.6 | Confident | 86 Ų | 86 | 112.4 Ų | 112.4 | 40% | 0.402 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -77.2 | -35.8 | 175.7 | -66.1 | -177 | 147 | 0 | 0 | 111.6 | V216 K217 E218 R223 L224 | V216-E220 HydrophobicContact CG1-CB 4.1Å; K217-E220 HydrophobicContact CB-CG 4.21Å; K217-E220 WeakPolarHBondContact O-CA 3.38Å; K217-E220 WeakPolarHBondContact O-CB 3.47Å; K217-E220 PolarHBondContact O-N 2.93Å; E218-E220 VanDerWaalsContact C-N 3.31Å; E218-E220 PolarHBondContact O-N 3.41Å; E220-R223 PolarHBondContact O-N 3.48Å; E220-L224 WeakPolarHBondContact O-CB 3.43Å; E220-L224 PolarHBondContact O-N 2.7Å |
| 221 | V | 88.5 | Confident | 80.2 | Confident | 82 Ų | 82 | 105.9 Ų | 105.9 | 50% | 0.497 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66 | -44.1 | 173 | -177.4 | 0 | 0 | 0 | 0 | 110.7 | V216 K217 E218 L224 S225 | V216-V221 HydrophobicContact CB-CG2 4.42Å; V216-V221 HydrophobicContact CG1-CG2 3.61Å; K217-V221 PolarHBondContact O-N 3.24Å; E218-V221 PolarHBondContact O-N 2.89Å; V221-L224 PolarHBondContact O-N 3.15Å; V221-S225 PolarHBondContact O-N 3.36Å |
| 222 | Q | 90.8 | Very high | 82.8 | Confident | 104 Ų | 104 | 105.1 Ų | 105.1 | 49% | 0.486 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62 | -46.1 | 174.9 | -72.7 | 165.8 | -2.2 | 0 | 0 | 111.1 | E218 L224 S225 D226 | E218-Q222 WeakPolarHBondContact O-CB 3.46Å; E218-Q222 VanDerWaalsContact O-CG 3.31Å; E218-Q222 WeakPolarHBondContact O-CG 3.07Å; E218-Q222 PolarHBondContact O-N 2.94Å; E218-Q222 PolarHBondContact OE1-NE2 3.05Å; Q222-L224 VanDerWaalsContact C-N 3.3Å; Q222-L224 PolarHBondContact O-N 3.31Å; Q222-S225 VanDerWaalsContact O-CB 3.3Å; Q222-S225 WeakPolarHBondContact O-CB 3.39Å; Q222-S225 PolarHBondContact O-N 2.97Å; Q222-S225 VanDerWaalsContact O-N 3.08Å; Q222-D226 PolarHBondContact O-N 3.32Å |
| 223 | R | 93.3 | Very high | 84.8 | Confident | 135 Ų | 135 | 108.3 Ų | 108.3 | 51% | 0.509 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.8 | -37.7 | 175.4 | -175.2 | 175.3 | 66.5 | 173.6 | -2.3 | 112.6 | S219 E220 D226 Y227 | S219-R223 VanDerWaalsContact O-CB 3.25Å; S219-R223 WeakPolarHBondContact O-CB 3.38Å; S219-R223 PolarHBondContact O-N 3.46Å; E220-R223 PolarHBondContact O-N 3.48Å; R223-D226 PolarHBondContact O-N 2.96Å; R223-Y227 HydrophobicContact CG-CD2 4.06Å; R223-Y227 HydrophobicContact CG-CE2 3.52Å; R223-Y227 WeakPolarHBondContact O-CD2 3.49Å; R223-Y227 PolarHBondContact O-N 3.02Å; R223-Y227 VanDerWaalsContact O-N 3.09Å |
| 224 | L | 93.6 | Very high | 87.3 | Confident | 100 Ų | 100 | 105.2 Ų | 105.2 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 174 | 178.7 | 62 | 0 | 0 | 0 | 111.5 | E220 V221 Q222 D226 Y227 L228 | E220-L224 WeakPolarHBondContact O-CB 3.43Å; E220-L224 PolarHBondContact O-N 2.7Å; V221-L224 PolarHBondContact O-N 3.15Å; Q222-L224 VanDerWaalsContact C-N 3.3Å; Q222-L224 PolarHBondContact O-N 3.31Å; L224-D226 VanDerWaalsContact C-N 3.34Å; L224-D226 PolarHBondContact O-N 3.47Å; L224-Y227 PolarHBondContact O-N 3Å; L224-L228 HydrophobicContact CD1-CD1 4.39Å; L224-L228 HydrophobicContact CD1-CG 4.27Å; L224-L228 HydrophobicContact CG-CD1 4.12Å; L224-L228 HydrophobicContact CG-CG 4.43Å; L224-L228 WeakPolarHBondContact O-CB 3.33Å; L224-L228 WeakPolarHBondContact O-CG 3.39Å; L224-L228 PolarHBondContact O-N 2.92Å |
| 225 | S | 93.9 | Very high | 89.6 | Confident | 67 Ų | 67 | 103.6 Ų | 103.6 | 47% | 0.469 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.7 | -45.4 | 175 | -167.2 | 0 | 0 | 0 | 0 | 111.5 | V221 Q222 Y227 L228 Q229 | V221-S225 PolarHBondContact O-N 3.36Å; Q222-S225 VanDerWaalsContact O-CB 3.3Å; Q222-S225 WeakPolarHBondContact O-CB 3.39Å; Q222-S225 PolarHBondContact O-N 2.97Å; Q222-S225 VanDerWaalsContact O-N 3.08Å; S225-Y227 PolarHBondContact O-N 3.16Å; S225-L228 PolarHBondContact O-N 3.35Å; S225-Q229 WeakPolarHBondContact O-CB 3.31Å; S225-Q229 PolarHBondContact O-N 3.34Å |
| 226 | D | 95.2 | Very high | 91.3 | Very high | 105 Ų | 105 | 102.6 Ų | 102.6 | 56% | 0.561 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.5 | -43.8 | 176 | -67.8 | -25.6 | 0 | 0 | 0 | 111.9 | Q222 R223 L224 Q229 E230 | Q222-D226 PolarHBondContact O-N 3.32Å; R223-D226 PolarHBondContact O-N 2.96Å; L224-D226 VanDerWaalsContact C-N 3.34Å; L224-D226 PolarHBondContact O-N 3.47Å; D226-Q229 PolarHBondContact O-N 2.79Å; D226-E230 WeakPolarHBondContact O-CB 3.37Å; D226-E230 PolarHBondContact O-N 3.24Å |
| 227 | Y | 96.8 | Very high | 92.8 | Very high | 132 Ų | 132 | 100.2 Ų | 100.2 | 52% | 0.518 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 176.9 | -72.1 | -42.8 | 0 | 0 | 0 | 112.9 | R223 L224 S225 E230 A231 | R223-Y227 HydrophobicContact CG-CD2 4.06Å; R223-Y227 HydrophobicContact CG-CE2 3.52Å; R223-Y227 WeakPolarHBondContact O-CD2 3.49Å; R223-Y227 PolarHBondContact O-N 3.02Å; R223-Y227 VanDerWaalsContact O-N 3.09Å; L224-Y227 PolarHBondContact O-N 3Å; S225-Y227 PolarHBondContact O-N 3.16Å; Y227-E230 PolarHBondContact O-N 2.78Å; Y227-A231 VanDerWaalsContact O-CB 3.27Å; Y227-A231 WeakPolarHBondContact O-CB 3.28Å; Y227-A231 PolarHBondContact O-N 2.89Å |
| 228 | L | 95.7 | Very high | 93.5 | Very high | 108 Ų | 108 | 98.5 Ų | 98.5 | 57% | 0.565 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.3 | -41.2 | 176.5 | -73.4 | 173.8 | 0 | 0 | 0 | 111.2 | L224 S225 A231 L232 | L224-L228 HydrophobicContact CD1-CD1 4.39Å; L224-L228 HydrophobicContact CD1-CG 4.27Å; L224-L228 HydrophobicContact CG-CD1 4.12Å; L224-L228 HydrophobicContact CG-CG 4.43Å; L224-L228 WeakPolarHBondContact O-CB 3.33Å; L224-L228 WeakPolarHBondContact O-CG 3.39Å; L224-L228 PolarHBondContact O-N 2.92Å; S225-L228 PolarHBondContact O-N 3.35Å; L228-A231 PolarHBondContact O-N 3.41Å; L228-L232 WeakPolarHBondContact O-CB 3.3Å; L228-L232 PolarHBondContact O-N 2.87Å |
| 229 | Q | 94.5 | Very high | 94.2 | Very high | 134 Ų | 134 | 97.2 Ų | 97.2 | 63% | 0.626 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66.1 | -39.7 | 176.6 | -169.7 | 169.7 | -16.4 | 0 | 0 | 111.6 | S225 D226 L232 W233 | S225-Q229 WeakPolarHBondContact O-CB 3.31Å; S225-Q229 PolarHBondContact O-N 3.34Å; D226-Q229 PolarHBondContact O-N 2.79Å; Q229-L232 PolarHBondContact O-N 2.94Å; Q229-W233 PolarHBondContact O-N 3.13Å |
| 230 | E | 94.6 | Very high | 94.7 | Very high | 68 Ų | 68 | 100.5 Ų | 100.5 | 32% | 0.318 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 173.8 | -167 | -172.9 | -159.5 | 0 | 0 | 111.9 | D226 Y227 W233 R234 | D226-E230 WeakPolarHBondContact O-CB 3.37Å; D226-E230 PolarHBondContact O-N 3.24Å; Y227-E230 PolarHBondContact O-N 2.78Å; E230-W233 PolarHBondContact O-N 3.45Å; E230-R234 WeakPolarHBondContact O-CG 3.47Å; E230-R234 PolarHBondContact O-N 2.96Å; E230-R234 IonicContact OE1-CZ 2.98Å; E230-R234 IonicContact OE1-NE 2.7Å; E230-R234 IonicContact OE1-NH1 3.13Å; E230-R234 IonicContact OE1-NH2 3.94Å; E230-R234 PolarHBondContact OE1-NH2 3.24Å; E230-R234 IonicContact OE2-CZ 3.99Å; E230-R234 VanDerWaalsContact OE2-CZ 3.28Å; E230-R234 IonicContact OE2-NH1 2.88Å; E230-R234 PolarHBondContact OE2-NH1 2.87Å; E230-R234 IonicContact OE2-NH2 3.94Å; E230-R234 PolarHBondContact OE2-NH2 3.04Å; E230-R234 VanDerWaalsContact OE2-NH2 3.13Å |
| 231 | A | 94 | Very high | 95.2 | Very high | 48 Ų | 48 | 102.9 Ų | 102.9 | 40% | 0.397 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y227 L228 W233 R234 E235 | Y227-A231 VanDerWaalsContact O-CB 3.27Å; Y227-A231 WeakPolarHBondContact O-CB 3.28Å; Y227-A231 PolarHBondContact O-N 2.89Å; L228-A231 PolarHBondContact O-N 3.41Å; A231-W233 PolarHBondContact O-N 2.8Å; A231-R234 PolarHBondContact O-N 2.78Å; A231-E235 WeakPolarHBondContact O-CB 3.36Å; A231-E235 PolarHBondContact O-N 3.42Å |
| 232 | L | 96.8 | Very high | 95.6 | Very high | 96 Ų | 96 | 104 Ų | 104 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 177.8 | -171.3 | 133.5 | 0 | 0 | 0 | 111.6 | L228 Q229 E235 E236 | L228-L232 WeakPolarHBondContact O-CB 3.3Å; L228-L232 PolarHBondContact O-N 2.87Å; Q229-L232 PolarHBondContact O-N 2.94Å; L232-E235 WeakPolarHBondContact O-CB 3.4Å; L232-E235 PolarHBondContact O-N 2.99Å; L232-E236 WeakPolarHBondContact CD2-OE1 3.38Å; L232-E236 WeakPolarHBondContact O-CG 3.38Å; L232-E236 PolarHBondContact O-N 3.2Å |
| 233 | W | 95.4 | Very high | 95.9 | Very high | 142 Ų | 142 | 101.6 Ų | 101.6 | 54% | 0.538 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 175.8 | -176.9 | 89 | 0 | 0 | 0 | 113 | Q229 E230 A231 E235 E236 T237 | Q229-W233 PolarHBondContact O-N 3.13Å; E230-W233 PolarHBondContact O-N 3.45Å; A231-W233 PolarHBondContact O-N 2.8Å; W233-E235 VanDerWaalsContact C-N 3.32Å; W233-E235 PolarHBondContact O-N 2.95Å; W233-E236 PolarHBondContact O-N 3.5Å; W233-T237 WeakPolarHBondContact O-CB 3.37Å; W233-T237 PolarHBondContact O-N 3.34Å; W233-T237 PolarHBondContact O-OG1 3.07Å |
| 234 | R | 97.1 | Very high | 96.1 | Very high | 127 Ų | 127 | 98.7 Ų | 98.7 | 48% | 0.479 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 173.6 | -74.9 | 177.8 | 179.5 | 131.2 | -3.2 | 111 | E230 A231 T237 V238 | E230-R234 WeakPolarHBondContact O-CG 3.47Å; E230-R234 PolarHBondContact O-N 2.96Å; E230-R234 IonicContact OE1-CZ 2.98Å; E230-R234 IonicContact OE1-NE 2.7Å; E230-R234 IonicContact OE1-NH1 3.13Å; E230-R234 IonicContact OE1-NH2 3.94Å; E230-R234 PolarHBondContact OE1-NH2 3.24Å; E230-R234 IonicContact OE2-CZ 3.99Å; E230-R234 VanDerWaalsContact OE2-CZ 3.28Å; E230-R234 IonicContact OE2-NH1 2.88Å; E230-R234 PolarHBondContact OE2-NH1 2.87Å; E230-R234 IonicContact OE2-NH2 3.94Å; E230-R234 PolarHBondContact OE2-NH2 3.04Å; E230-R234 VanDerWaalsContact OE2-NH2 3.13Å; A231-R234 PolarHBondContact O-N 2.78Å; R234-T237 PolarHBondContact O-N 3.32Å; R234-V238 VanDerWaalsContact O-CG2 3.31Å; R234-V238 WeakPolarHBondContact O-CG2 3.42Å; R234-V238 PolarHBondContact O-N 3.33Å |
| 235 | E | 96.4 | Very high | 96.3 | Very high | 99 Ų | 99 | 99.2 Ų | 99.2 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -48.7 | 177.6 | -169.3 | -170.7 | 161.1 | 0 | 0 | 111.5 | A231 L232 W233 T237 V238 K239 | A231-E235 WeakPolarHBondContact O-CB 3.36Å; A231-E235 PolarHBondContact O-N 3.42Å; L232-E235 WeakPolarHBondContact O-CB 3.4Å; L232-E235 PolarHBondContact O-N 2.99Å; W233-E235 VanDerWaalsContact C-N 3.32Å; W233-E235 PolarHBondContact O-N 2.95Å; E235-T237 VanDerWaalsContact C-N 3.29Å; E235-T237 PolarHBondContact O-N 3.12Å; E235-V238 PolarHBondContact O-N 3.28Å; E235-K239 HydrophobicContact CG-CD 4.44Å; E235-K239 WeakPolarHBondContact O-CG 3.49Å; E235-K239 PolarHBondContact O-N 2.86Å; E235-K239 WeakPolarHBondContact OE1-CE 3.4Å; E235-K239 IonicContact OE1-NZ 2.91Å; E235-K239 PolarHBondContact OE1-NZ 3.25Å |
| 236 | E | 96.4 | Very high | 96.4 | Very high | 89 Ų | 89 | 99.6 Ų | 99.6 | 42% | 0.416 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59 | -40.7 | 176.4 | -74.3 | -177.3 | -179.7 | 0 | 0 | 112.3 | L232 W233 K239 K240 | L232-E236 WeakPolarHBondContact CD2-OE1 3.38Å; L232-E236 WeakPolarHBondContact O-CG 3.38Å; L232-E236 PolarHBondContact O-N 3.2Å; W233-E236 PolarHBondContact O-N 3.5Å; E236-K239 PolarHBondContact O-N 3.44Å; E236-K240 WeakPolarHBondContact O-CG 3.29Å; E236-K240 PolarHBondContact O-N 3.42Å |
| 237 | T | 96.6 | Very high | 96.5 | Very high | 34 Ų | 34 | 100.1 Ų | 100.1 | 21% | 0.209 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 178.1 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | W233 R234 E235 K240 K241 | W233-T237 WeakPolarHBondContact O-CB 3.37Å; W233-T237 PolarHBondContact O-N 3.34Å; W233-T237 PolarHBondContact O-OG1 3.07Å; R234-T237 PolarHBondContact O-N 3.32Å; E235-T237 VanDerWaalsContact C-N 3.29Å; E235-T237 PolarHBondContact O-N 3.12Å; T237-K240 PolarHBondContact O-N 3.25Å; T237-K241 HydrophobicContact CG2-CD 4.4Å; T237-K241 WeakPolarHBondContact O-CG 3.33Å; T237-K241 PolarHBondContact O-N 3.05Å |
| 238 | V | 96.7 | Very high | 96.6 | Very high | 95 Ų | 95 | 98.5 Ų | 98.5 | 58% | 0.576 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.4 | -42.2 | 175.3 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | R234 E235 K240 K241 L242 | R234-V238 VanDerWaalsContact O-CG2 3.31Å; R234-V238 WeakPolarHBondContact O-CG2 3.42Å; R234-V238 PolarHBondContact O-N 3.33Å; E235-V238 PolarHBondContact O-N 3.28Å; V238-K240 PolarHBondContact O-N 3.26Å; V238-K241 PolarHBondContact O-N 2.9Å; V238-L242 WeakPolarHBondContact O-CB 3.38Å; V238-L242 PolarHBondContact O-N 3.07Å |
| 239 | K | 97.6 | Very high | 96.7 | Very high | 119 Ų | 119 | 96.5 Ų | 96.5 | 52% | 0.517 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.2 | -45.5 | 175 | -75.5 | 175.2 | -178.9 | 167.7 | 0 | 112 | E235 E236 L242 A243 | E235-K239 HydrophobicContact CG-CD 4.44Å; E235-K239 WeakPolarHBondContact O-CG 3.49Å; E235-K239 PolarHBondContact O-N 2.86Å; E235-K239 WeakPolarHBondContact OE1-CE 3.4Å; E235-K239 IonicContact OE1-NZ 2.91Å; E235-K239 PolarHBondContact OE1-NZ 3.25Å; E236-K239 PolarHBondContact O-N 3.44Å; K239-L242 PolarHBondContact O-N 2.91Å; K239-A243 PolarHBondContact O-N 3.24Å |
| 240 | K | 97.4 | Very high | 96.8 | Very high | 140 Ų | 140 | 93.8 Ų | 93.8 | 61% | 0.609 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.8 | -45.9 | 175.9 | -71.5 | 171.3 | -175.2 | 171.8 | 0 | 112 | E236 T237 V238 L242 A243 V244 | E236-K240 WeakPolarHBondContact O-CG 3.29Å; E236-K240 PolarHBondContact O-N 3.42Å; T237-K240 PolarHBondContact O-N 3.25Å; V238-K240 PolarHBondContact O-N 3.26Å; K240-L242 VanDerWaalsContact C-N 3.32Å; K240-L242 PolarHBondContact O-N 3.4Å; K240-A243 PolarHBondContact O-N 3.36Å; K240-V244 WeakPolarHBondContact O-CG2 3.31Å; K240-V244 PolarHBondContact O-N 3.01Å; K240-V244 VanDerWaalsContact O-N 3.08Å |
| 241 | K | 97.9 | Very high | 96.9 | Very high | 136 Ų | 136 | 94.8 Ų | 94.8 | 59% | 0.591 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.9 | -39.2 | 176.6 | -72.6 | 177.8 | 180 | -179.4 | 0 | 112 | T237 V238 V244 L245 | T237-K241 HydrophobicContact CG2-CD 4.4Å; T237-K241 WeakPolarHBondContact O-CG 3.33Å; T237-K241 PolarHBondContact O-N 3.05Å; V238-K241 PolarHBondContact O-N 2.9Å; K241-V244 PolarHBondContact O-N 2.98Å; K241-L245 WeakPolarHBondContact O-CB 3.31Å; K241-L245 VanDerWaalsContact O-CG 3.32Å; K241-L245 WeakPolarHBondContact O-CG 3.36Å; K241-L245 PolarHBondContact O-N 3.36Å |
| 242 | L | 97.4 | Very high | 97.1 | Very high | 105 Ų | 105 | 98 Ų | 98 | 55% | 0.55 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 176.7 | -171.2 | 68.4 | 0 | 0 | 0 | 110.8 | V238 K239 K240 V244 L245 T246 | V238-L242 WeakPolarHBondContact O-CB 3.38Å; V238-L242 PolarHBondContact O-N 3.07Å; K239-L242 PolarHBondContact O-N 2.91Å; K240-L242 VanDerWaalsContact C-N 3.32Å; K240-L242 PolarHBondContact O-N 3.4Å; L242-V244 PolarHBondContact O-N 2.91Å; L242-L245 PolarHBondContact O-N 2.91Å; L242-T246 WeakPolarHBondContact O-CG2 3.24Å; L242-T246 PolarHBondContact O-N 2.79Å; L242-T246 PolarHBondContact O-OG1 3.22Å; L242-T246 VanDerWaalsContact O-OG1 3.11Å |
| 243 | A | 97.2 | Very high | 97.1 | Very high | 54 Ų | 54 | 97 Ų | 97 | 45% | 0.446 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.6 | -46 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K239 K240 T246 E247 | K239-A243 PolarHBondContact O-N 3.24Å; K240-A243 PolarHBondContact O-N 3.36Å; A243-T246 VanDerWaalsContact C-OG1 3.31Å; A243-T246 VanDerWaalsContact CA-OG1 3.3Å; A243-T246 WeakPolarHBondContact CA-OG1 3.38Å; A243-T246 PolarHBondContact O-N 2.83Å; A243-T246 PolarHBondContact O-OG1 3.44Å; A243-E247 PolarHBondContact O-N 3.43Å |
| 244 | V | 97.5 | Very high | 97.1 | Very high | 75 Ų | 75 | 94.7 Ų | 94.7 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64 | -42.8 | 175.7 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | K240 K241 L242 T246 E247 I248 | K240-V244 WeakPolarHBondContact O-CG2 3.31Å; K240-V244 PolarHBondContact O-N 3.01Å; K240-V244 VanDerWaalsContact O-N 3.08Å; K241-V244 PolarHBondContact O-N 2.98Å; L242-V244 PolarHBondContact O-N 2.91Å; V244-T246 VanDerWaalsContact C-N 3.34Å; V244-T246 PolarHBondContact O-N 3.42Å; V244-E247 PolarHBondContact O-N 3.22Å; V244-I248 HydrophobicContact CG1-CD1 3.75Å; V244-I248 HydrophobicContact CG1-CG1 4.38Å; V244-I248 VanDerWaalsContact O-CG1 3.31Å; V244-I248 WeakPolarHBondContact O-CG1 3.47Å; V244-I248 PolarHBondContact O-N 3.41Å |
| 245 | L | 97.4 | Very high | 97 | Very high | 111 Ų | 111 | 91.3 Ų | 91.3 | 58% | 0.581 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.7 | -39.3 | 176.6 | -77.3 | 173.2 | 0 | 0 | 0 | 112.1 | K241 L242 I248 S249 | K241-L245 WeakPolarHBondContact O-CB 3.31Å; K241-L245 VanDerWaalsContact O-CG 3.32Å; K241-L245 WeakPolarHBondContact O-CG 3.36Å; K241-L245 PolarHBondContact O-N 3.36Å; L242-L245 PolarHBondContact O-N 2.91Å; L245-I248 PolarHBondContact O-N 3.46Å; L245-S249 VanDerWaalsContact O-CB 3.25Å; L245-S249 WeakPolarHBondContact O-CB 3.26Å; L245-S249 PolarHBondContact O-N 3.36Å |
| 246 | T | 96.3 | Very high | 96.9 | Very high | 75 Ų | 75 | 88.6 Ų | 88.6 | 46% | 0.46 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 175.6 | 49.2 | 0 | 0 | 0 | 0 | 111.2 | L242 A243 V244 S249 T250 | L242-T246 WeakPolarHBondContact O-CG2 3.24Å; L242-T246 PolarHBondContact O-N 2.79Å; L242-T246 PolarHBondContact O-OG1 3.22Å; L242-T246 VanDerWaalsContact O-OG1 3.11Å; A243-T246 VanDerWaalsContact C-OG1 3.31Å; A243-T246 VanDerWaalsContact CA-OG1 3.3Å; A243-T246 WeakPolarHBondContact CA-OG1 3.38Å; A243-T246 PolarHBondContact O-N 2.83Å; A243-T246 PolarHBondContact O-OG1 3.44Å; V244-T246 VanDerWaalsContact C-N 3.34Å; V244-T246 PolarHBondContact O-N 3.42Å; T246-S249 WeakPolarHBondContact O-CB 3.31Å; T246-S249 PolarHBondContact O-N 3.37Å; T246-T250 WeakPolarHBondContact O-CG2 3.25Å; T246-T250 PolarHBondContact O-N 2.97Å; T246-T250 PolarHBondContact O-OG1 2.82Å |
| 247 | E | 97.8 | Very high | 96.9 | Very high | 116 Ų | 116 | 88.7 Ų | 88.7 | 54% | 0.542 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 176.2 | -175.5 | -173.7 | 170.2 | 0 | 0 | 112.1 | A243 V244 S249 T250 N251 | A243-E247 PolarHBondContact O-N 3.43Å; V244-E247 PolarHBondContact O-N 3.22Å; E247-S249 VanDerWaalsContact C-N 3.28Å; E247-S249 PolarHBondContact O-N 3.35Å; E247-T250 PolarHBondContact O-N 3.39Å; E247-T250 PolarHBondContact O-OG1 2.91Å; E247-N251 WeakPolarHBondContact O-CB 3.18Å; E247-N251 PolarHBondContact O-N 3.33Å; E247-N251 PolarHBondContact O-ND2 2.84Å |
| 248 | I | 97.9 | Very high | 96.9 | Very high | 97 Ų | 97 | 91.8 Ų | 91.8 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 175.7 | -67.3 | 168.3 | 0 | 0 | 0 | 110.4 | V244 L245 N251 L252 | V244-I248 HydrophobicContact CG1-CD1 3.75Å; V244-I248 HydrophobicContact CG1-CG1 4.38Å; V244-I248 VanDerWaalsContact O-CG1 3.31Å; V244-I248 WeakPolarHBondContact O-CG1 3.47Å; V244-I248 PolarHBondContact O-N 3.41Å; L245-I248 PolarHBondContact O-N 3.46Å; I248-N251 PolarHBondContact O-N 3.37Å; I248-L252 VanDerWaalsContact O-CB 3.32Å; I248-L252 WeakPolarHBondContact O-CB 3.22Å; I248-L252 PolarHBondContact O-N 2.9Å |
| 249 | S | 97.1 | Very high | 96.9 | Very high | 67 Ų | 67 | 92.4 Ų | 92.4 | 47% | 0.469 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.9 | -45.1 | 178.1 | -172.7 | 0 | 0 | 0 | 0 | 111.9 | L245 T246 E247 L252 V253 | L245-S249 VanDerWaalsContact O-CB 3.25Å; L245-S249 WeakPolarHBondContact O-CB 3.26Å; L245-S249 PolarHBondContact O-N 3.36Å; T246-S249 WeakPolarHBondContact O-CB 3.31Å; T246-S249 PolarHBondContact O-N 3.37Å; E247-S249 VanDerWaalsContact C-N 3.28Å; E247-S249 PolarHBondContact O-N 3.35Å; S249-L252 PolarHBondContact O-N 3.43Å; S249-V253 WeakPolarHBondContact O-CG2 3.45Å; S249-V253 PolarHBondContact O-N 3.38Å |
| 250 | T | 97 | Very high | 96.6 | Very high | 77 Ų | 77 | 94.7 Ų | 94.7 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 177.2 | 53.8 | 0 | 0 | 0 | 0 | 110.8 | T246 E247 L252 V253 N254 | T246-T250 WeakPolarHBondContact O-CG2 3.25Å; T246-T250 PolarHBondContact O-N 2.97Å; T246-T250 PolarHBondContact O-OG1 2.82Å; E247-T250 PolarHBondContact O-N 3.39Å; E247-T250 PolarHBondContact O-OG1 2.91Å; T250-L252 VanDerWaalsContact C-N 3.34Å; T250-L252 PolarHBondContact O-N 2.82Å; T250-V253 PolarHBondContact O-N 3.17Å; T250-N254 WeakPolarHBondContact O-CB 3.3Å; T250-N254 PolarHBondContact O-N 2.99Å; T250-N254 PolarHBondContact O-ND2 2.86Å |
| 251 | N | 97.3 | Very high | 96.5 | Very high | 88 Ų | 88 | 92.6 Ų | 92.6 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 174.6 | -72.3 | -25.1 | 0 | 0 | 0 | 112.5 | E247 I248 S255 | E247-N251 WeakPolarHBondContact O-CB 3.18Å; E247-N251 PolarHBondContact O-N 3.33Å; E247-N251 PolarHBondContact O-ND2 2.84Å; I248-N251 PolarHBondContact O-N 3.37Å; N251-S255 WeakPolarHBondContact O-CB 3.34Å; N251-S255 PolarHBondContact O-N 2.95Å; N251-S255 PolarHBondContact O-OG 2.88Å |
| 252 | L | 97.4 | Very high | 96.5 | Very high | 115 Ų | 115 | 89.1 Ų | 89.1 | 60% | 0.602 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.3 | -44 | 176.4 | -180 | 62.7 | 0 | 0 | 0 | 111.7 | I248 S249 T250 S255 S256 | I248-L252 VanDerWaalsContact O-CB 3.32Å; I248-L252 WeakPolarHBondContact O-CB 3.22Å; I248-L252 PolarHBondContact O-N 2.9Å; S249-L252 PolarHBondContact O-N 3.43Å; T250-L252 VanDerWaalsContact C-N 3.34Å; T250-L252 PolarHBondContact O-N 2.82Å; L252-S255 WeakPolarHBondContact CA-OG 3.47Å; L252-S255 PolarHBondContact O-N 3.24Å; L252-S255 PolarHBondContact O-OG 2.7Å; L252-S256 WeakPolarHBondContact O-CB 3.16Å; L252-S256 PolarHBondContact O-N 2.87Å |
| 253 | V | 96.4 | Very high | 96.3 | Very high | 76 Ų | 76 | 90.5 Ų | 90.5 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.5 | -50.6 | 176.5 | 171.4 | 0 | 0 | 0 | 0 | 110.2 | S249 T250 S255 S256 D257 | S249-V253 WeakPolarHBondContact O-CG2 3.45Å; S249-V253 PolarHBondContact O-N 3.38Å; T250-V253 PolarHBondContact O-N 3.17Å; V253-S255 VanDerWaalsContact C-N 3.34Å; V253-S255 PolarHBondContact O-N 3.48Å; V253-S256 WeakPolarHBondContact O-CB 3.36Å; V253-S256 PolarHBondContact O-N 2.88Å; V253-S256 VanDerWaalsContact O-N 3.11Å; V253-D257 PolarHBondContact O-N 3.35Å |
| 254 | N | 95.8 | Very high | 95.9 | Very high | 94 Ų | 94 | 91.9 Ų | 91.9 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 179.4 | -67.6 | -14.8 | 0 | 0 | 0 | 112.2 | T250 D257 V258 | T250-N254 WeakPolarHBondContact O-CB 3.3Å; T250-N254 PolarHBondContact O-N 2.99Å; T250-N254 PolarHBondContact O-ND2 2.86Å; N254-D257 PolarHBondContact O-N 3.38Å; N254-V258 WeakPolarHBondContact O-CG2 3.47Å; N254-V258 PolarHBondContact O-N 3.43Å; N254-V258 VanDerWaalsContact O-N 3.08Å |
| 255 | S | 96 | Very high | 95.7 | Very high | 56 Ų | 56 | 91.1 Ų | 91.1 | 39% | 0.392 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.2 | -35.9 | 177 | 61.4 | 0 | 0 | 0 | 0 | 112.5 | N251 L252 V253 V258 L259 | N251-S255 WeakPolarHBondContact O-CB 3.34Å; N251-S255 PolarHBondContact O-N 2.95Å; N251-S255 PolarHBondContact O-OG 2.88Å; L252-S255 WeakPolarHBondContact CA-OG 3.47Å; L252-S255 PolarHBondContact O-N 3.24Å; L252-S255 PolarHBondContact O-OG 2.7Å; V253-S255 VanDerWaalsContact C-N 3.34Å; V253-S255 PolarHBondContact O-N 3.48Å; S255-V258 PolarHBondContact O-N 2.96Å; S255-L259 WeakPolarHBondContact O-CB 3.3Å; S255-L259 VanDerWaalsContact O-CG 3.28Å; S255-L259 WeakPolarHBondContact O-CG 3.25Å; S255-L259 PolarHBondContact O-N 3.42Å |
| 256 | S | 94.8 | Very high | 95.6 | Very high | 42 Ų | 42 | 89.5 Ų | 89.5 | 29% | 0.294 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 172.3 | -174.7 | 0 | 0 | 0 | 0 | 111.2 | L252 V253 V258 L259 W260 | L252-S256 WeakPolarHBondContact O-CB 3.16Å; L252-S256 PolarHBondContact O-N 2.87Å; V253-S256 WeakPolarHBondContact O-CB 3.36Å; V253-S256 PolarHBondContact O-N 2.88Å; V253-S256 VanDerWaalsContact O-N 3.11Å; S256-V258 PolarHBondContact O-N 3.47Å; S256-L259 WeakPolarHBondContact O-CB 3.42Å; S256-L259 PolarHBondContact O-N 2.87Å; S256-W260 PolarHBondContact O-N 2.78Å; S256-W260 VanDerWaalsContact OG-CD1 3.32Å; S256-W260 PolarHBondContact OG-NE1 3.43Å; S256-W260 VanDerWaalsContact OG-NE1 3.14Å |
| 257 | D | 95.7 | Very high | 95.5 | Very high | 90 Ų | 90 | 90.6 Ų | 90.6 | 48% | 0.481 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 179.1 | -72 | -17 | 0 | 0 | 0 | 112.1 | V253 N254 L259 W260 T261 | V253-D257 PolarHBondContact O-N 3.35Å; N254-D257 PolarHBondContact O-N 3.38Å; D257-L259 VanDerWaalsContact C-N 3.32Å; D257-L259 PolarHBondContact O-N 2.79Å; D257-W260 PolarHBondContact O-N 3.18Å; D257-T261 WeakPolarHBondContact O-CB 3Å; D257-T261 WeakPolarHBondContact O-CG2 3.21Å; D257-T261 PolarHBondContact O-N 2.86Å; D257-T261 PolarHBondContact O-OG1 3.24Å |
| 258 | V | 96.3 | Very high | 95.3 | Very high | 99 Ų | 99 | 89.9 Ų | 89.9 | 60% | 0.6 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.5 | -40.5 | 173 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | N254 S255 S256 T261 S262 | N254-V258 WeakPolarHBondContact O-CG2 3.47Å; N254-V258 PolarHBondContact O-N 3.43Å; N254-V258 VanDerWaalsContact O-N 3.08Å; S255-V258 PolarHBondContact O-N 2.96Å; S256-V258 PolarHBondContact O-N 3.47Å; V258-T261 VanDerWaalsContact CA-OG1 3.32Å; V258-T261 WeakPolarHBondContact CA-OG1 3.37Å; V258-T261 PolarHBondContact O-OG1 3.31Å; V258-S262 VanDerWaalsContact O-CB 3.32Å; V258-S262 WeakPolarHBondContact O-CB 3.31Å; V258-S262 PolarHBondContact O-N 2.89Å |
| 259 | L | 96.8 | Very high | 95.2 | Very high | 109 Ų | 109 | 90 Ų | 90 | 57% | 0.571 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.6 | -44.1 | 175.9 | -75.1 | 168 | 0 | 0 | 0 | 111.7 | S255 S256 D257 S262 R263 | S255-L259 WeakPolarHBondContact O-CB 3.3Å; S255-L259 VanDerWaalsContact O-CG 3.28Å; S255-L259 WeakPolarHBondContact O-CG 3.25Å; S255-L259 PolarHBondContact O-N 3.42Å; S256-L259 WeakPolarHBondContact O-CB 3.42Å; S256-L259 PolarHBondContact O-N 2.87Å; D257-L259 VanDerWaalsContact C-N 3.32Å; D257-L259 PolarHBondContact O-N 2.79Å; L259-S262 PolarHBondContact O-N 3.39Å; L259-R263 WeakPolarHBondContact O-CB 3.32Å; L259-R263 VanDerWaalsContact O-CG 3.25Å; L259-R263 WeakPolarHBondContact O-CG 3.13Å; L259-R263 PolarHBondContact O-N 3.22Å |
| 260 | W | 91.9 | Very high | 95 | Very high | 167 Ų | 167 | 93.7 Ų | 93.7 | 63% | 0.633 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.2 | -44.3 | 177.9 | -75.2 | 116.7 | 0 | 0 | 0 | 112 | S256 D257 R263 C264 | S256-W260 PolarHBondContact O-N 2.78Å; S256-W260 VanDerWaalsContact OG-CD1 3.32Å; S256-W260 PolarHBondContact OG-NE1 3.43Å; S256-W260 VanDerWaalsContact OG-NE1 3.14Å; D257-W260 PolarHBondContact O-N 3.18Å; W260-R263 PolarHBondContact O-N 3Å; W260-C264 WeakPolarHBondContact O-CB 3.24Å; W260-C264 PolarHBondContact O-N 3Å; W260-C264 PolarHBondContact O-SG 2.82Å |
| 261 | T | 95.3 | Very high | 94.7 | Very high | 95 Ų | 95 | 93.1 Ų | 93.1 | 58% | 0.583 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.8 | -44.4 | 177.3 | 49.3 | 0 | 0 | 0 | 0 | 111.8 | D257 V258 C264 S265 | D257-T261 WeakPolarHBondContact O-CB 3Å; D257-T261 WeakPolarHBondContact O-CG2 3.21Å; D257-T261 PolarHBondContact O-N 2.86Å; D257-T261 PolarHBondContact O-OG1 3.24Å; V258-T261 VanDerWaalsContact CA-OG1 3.32Å; V258-T261 WeakPolarHBondContact CA-OG1 3.37Å; V258-T261 PolarHBondContact O-OG1 3.31Å; T261-C264 PolarHBondContact O-N 3.38Å; T261-S265 PolarHBondContact O-N 3.25Å |
| 262 | S | 96.3 | Very high | 94.6 | Very high | 63 Ų | 63 | 94.5 Ų | 94.5 | 44% | 0.441 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 173.3 | 179.6 | 0 | 0 | 0 | 0 | 112 | V258 L259 C264 S265 E266 | V258-S262 VanDerWaalsContact O-CB 3.32Å; V258-S262 WeakPolarHBondContact O-CB 3.31Å; V258-S262 PolarHBondContact O-N 2.89Å; L259-S262 PolarHBondContact O-N 3.39Å; S262-C264 PolarHBondContact O-N 3.5Å; S262-S265 PolarHBondContact O-N 2.97Å; S262-S265 VanDerWaalsContact O-N 3.13Å; S262-S265 PolarHBondContact O-OG 2.83Å; S262-E266 PolarHBondContact O-N 2.87Å |
| 263 | R | 93.3 | Very high | 94.4 | Very high | 135 Ų | 135 | 93.3 Ų | 93.3 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 177 | -73.9 | -62.2 | -170.8 | -179.5 | 4 | 112.9 | L259 W260 S265 E266 D267 | L259-R263 WeakPolarHBondContact O-CB 3.32Å; L259-R263 VanDerWaalsContact O-CG 3.25Å; L259-R263 WeakPolarHBondContact O-CG 3.13Å; L259-R263 PolarHBondContact O-N 3.22Å; W260-R263 PolarHBondContact O-N 3Å; R263-S265 VanDerWaalsContact C-N 3.29Å; R263-S265 PolarHBondContact O-N 2.9Å; R263-E266 IonicContact CZ-OE2 3.55Å; R263-E266 IonicContact NH1-OE1 3.28Å; R263-E266 PolarHBondContact NH1-OE1 3.37Å; R263-E266 IonicContact NH1-OE2 2.66Å; R263-E266 PolarHBondContact NH1-OE2 3.33Å; R263-E266 PolarHBondContact O-N 3.44Å; R263-D267 PolarHBondContact O-N 3.35Å |
| 264 | C | 89.5 | Confident | 94.2 | Very high | 82 Ų | 82 | 95.8 Ų | 95.8 | 55% | 0.554 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.2 | -41.7 | 174 | -71.9 | 0 | 0 | 0 | 0 | 111.6 | W260 T261 S262 D267 L268 | W260-C264 WeakPolarHBondContact O-CB 3.24Å; W260-C264 PolarHBondContact O-N 3Å; W260-C264 PolarHBondContact O-SG 2.82Å; T261-C264 PolarHBondContact O-N 3.38Å; S262-C264 PolarHBondContact O-N 3.5Å; C264-D267 PolarHBondContact O-N 2.94Å; C264-L268 WeakPolarHBondContact O-CB 3.5Å; C264-L268 PolarHBondContact O-N 3.06Å |
| 265 | S | 92.7 | Very high | 94 | Very high | 59 Ų | 59 | 94.9 Ų | 94.9 | 41% | 0.413 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.4 | -38.8 | 176.2 | 75.6 | 0 | 0 | 0 | 0 | 113.1 | T261 S262 R263 L268 L269 | T261-S265 PolarHBondContact O-N 3.25Å; S262-S265 PolarHBondContact O-N 2.97Å; S262-S265 VanDerWaalsContact O-N 3.13Å; S262-S265 PolarHBondContact O-OG 2.83Å; R263-S265 VanDerWaalsContact C-N 3.29Å; R263-S265 PolarHBondContact O-N 2.9Å; S265-L268 PolarHBondContact O-N 2.78Å; S265-L269 WeakPolarHBondContact O-CG 3.26Å; S265-L269 PolarHBondContact O-N 3.32Å |
| 266 | E | 95.9 | Very high | 93.9 | Very high | 78 Ų | 78 | 97.4 Ų | 97.4 | 36% | 0.364 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -47 | 175.2 | -173.5 | -168 | 142.8 | 0 | 0 | 110.2 | S262 R263 L268 L269 R270 | S262-E266 PolarHBondContact O-N 2.87Å; R263-E266 IonicContact CZ-OE2 3.55Å; R263-E266 IonicContact NH1-OE1 3.28Å; R263-E266 PolarHBondContact NH1-OE1 3.37Å; R263-E266 IonicContact NH1-OE2 2.66Å; R263-E266 PolarHBondContact NH1-OE2 3.33Å; R263-E266 PolarHBondContact O-N 3.44Å; E266-L268 VanDerWaalsContact C-N 3.33Å; E266-L268 PolarHBondContact O-N 3.18Å; E266-L269 PolarHBondContact O-N 3.17Å; E266-R270 VanDerWaalsContact O-CB 3.31Å; E266-R270 WeakPolarHBondContact O-CB 3.45Å; E266-R270 PolarHBondContact O-N 2.81Å |
| 267 | D | 94.2 | Very high | 93.7 | Very high | 97 Ų | 97 | 100.9 Ų | 100.9 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 177.6 | -79.2 | -26.3 | 0 | 0 | 0 | 112.2 | R263 C264 R270 S271 | R263-D267 PolarHBondContact O-N 3.35Å; C264-D267 PolarHBondContact O-N 2.94Å; D267-R270 PolarHBondContact O-N 3.4Å; D267-S271 WeakPolarHBondContact O-CB 3.45Å; D267-S271 PolarHBondContact O-N 2.92Å |
| 268 | L | 94.4 | Very high | 93.3 | Very high | 101 Ų | 101 | 99.1 Ų | 99.1 | 53% | 0.529 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 173.9 | 180 | 66.2 | 0 | 0 | 0 | 111.5 | C264 S265 E266 R270 S271 K272 | C264-L268 WeakPolarHBondContact O-CB 3.5Å; C264-L268 PolarHBondContact O-N 3.06Å; S265-L268 PolarHBondContact O-N 2.78Å; E266-L268 VanDerWaalsContact C-N 3.33Å; E266-L268 PolarHBondContact O-N 3.18Å; L268-R270 VanDerWaalsContact C-N 3.33Å; L268-S271 WeakPolarHBondContact O-CB 3.47Å; L268-S271 PolarHBondContact O-N 3.06Å; L268-K272 WeakPolarHBondContact O-CG 3.25Å; L268-K272 PolarHBondContact O-N 2.98Å |
| 269 | L | 94.5 | Very high | 92.9 | Very high | 101 Ų | 101 | 99.6 Ų | 99.6 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 177.2 | -71.1 | 173.5 | 0 | 0 | 0 | 111.2 | S265 E266 S271 K272 I273 | S265-L269 WeakPolarHBondContact O-CG 3.26Å; S265-L269 PolarHBondContact O-N 3.32Å; E266-L269 PolarHBondContact O-N 3.17Å; L269-S271 VanDerWaalsContact C-N 3.31Å; L269-S271 PolarHBondContact O-N 3.5Å; L269-K272 WeakPolarHBondContact O-CB 3.15Å; L269-K272 PolarHBondContact O-N 3.39Å; L269-I273 WeakPolarHBondContact O-CG1 3.3Å; L269-I273 PolarHBondContact O-N 2.94Å |
| 270 | R | 94.4 | Very high | 92.5 | Very high | 143 Ų | 143 | 99.8 Ų | 99.8 | 54% | 0.54 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -37.7 | 176.5 | -161 | 174.9 | -162.4 | 175.3 | 7.7 | 112 | E266 D267 L268 K274 | E266-R270 VanDerWaalsContact O-CB 3.31Å; E266-R270 WeakPolarHBondContact O-CB 3.45Å; E266-R270 PolarHBondContact O-N 2.81Å; D267-R270 PolarHBondContact O-N 3.4Å; L268-R270 VanDerWaalsContact C-N 3.33Å; R270-K274 WeakPolarHBondContact O-CG 3.36Å; R270-K274 PolarHBondContact O-N 3.25Å |
| 271 | S | 89.4 | Confident | 92.2 | Very high | 66 Ų | 66 | 98 Ų | 98 | 46% | 0.462 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 172.2 | -172.6 | 0 | 0 | 0 | 0 | 111.4 | D267 L268 L269 I273 K274 V275 | D267-S271 WeakPolarHBondContact O-CB 3.45Å; D267-S271 PolarHBondContact O-N 2.92Å; L268-S271 WeakPolarHBondContact O-CB 3.47Å; L268-S271 PolarHBondContact O-N 3.06Å; L269-S271 VanDerWaalsContact C-N 3.31Å; L269-S271 PolarHBondContact O-N 3.5Å; S271-I273 PolarHBondContact O-N 3.29Å; S271-K274 PolarHBondContact O-N 3.4Å; S271-V275 WeakPolarHBondContact O-CG2 3.4Å; S271-V275 PolarHBondContact O-N 3.45Å |
| 272 | K | 95.7 | Very high | 91.4 | Very high | 116 Ų | 116 | 96.9 Ų | 96.9 | 50% | 0.504 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59 | -43.9 | 175.5 | -71.4 | 177.3 | 178.9 | -179.3 | 0 | 112.3 | L268 L269 V275 L276 | L268-K272 WeakPolarHBondContact O-CG 3.25Å; L268-K272 PolarHBondContact O-N 2.98Å; L269-K272 WeakPolarHBondContact O-CB 3.15Å; L269-K272 PolarHBondContact O-N 3.39Å; K272-V275 PolarHBondContact O-N 2.88Å; K272-L276 WeakPolarHBondContact O-CG 3.47Å; K272-L276 PolarHBondContact O-N 3.45Å |
| 273 | I | 93.9 | Very high | 90.6 | Very high | 90 Ų | 90 | 99 Ų | 99 | 46% | 0.462 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.2 | -49.8 | 175.9 | -69.8 | 165.9 | 0 | 0 | 0 | 110.2 | L269 S271 V275 L276 E277 | L269-I273 WeakPolarHBondContact O-CG1 3.3Å; L269-I273 PolarHBondContact O-N 2.94Å; S271-I273 PolarHBondContact O-N 3.29Å; I273-V275 VanDerWaalsContact C-N 3.27Å; I273-V275 PolarHBondContact O-N 2.94Å; I273-L276 PolarHBondContact O-N 2.93Å; I273-L276 VanDerWaalsContact O-N 3.12Å; I273-E277 HydrophobicContact CG2-CG 4.12Å; I273-E277 WeakPolarHBondContact CG2-OE1 3.35Å; I273-E277 WeakPolarHBondContact O-CB 3.3Å; I273-E277 WeakPolarHBondContact O-CG 3.37Å; I273-E277 PolarHBondContact O-N 3.38Å |
| 274 | K | 92.3 | Very high | 90 | Very high | 129 Ų | 129 | 98.8 Ų | 98.8 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58 | -37.9 | 177.1 | -74.2 | 175.4 | -180 | 178.2 | 0 | 112.9 | R270 S271 A278 | R270-K274 WeakPolarHBondContact O-CG 3.36Å; R270-K274 PolarHBondContact O-N 3.25Å; S271-K274 PolarHBondContact O-N 3.4Å; K274-A278 VanDerWaalsContact O-CB 3.29Å; K274-A278 WeakPolarHBondContact O-CB 3.15Å; K274-A278 PolarHBondContact O-N 3.12Å |
| 275 | V | 91.4 | Very high | 89.3 | Confident | 74 Ų | 74 | 100 Ų | 100 | 45% | 0.448 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.9 | -47 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | S271 K272 I273 A278 Q279 | S271-V275 WeakPolarHBondContact O-CG2 3.4Å; S271-V275 PolarHBondContact O-N 3.45Å; K272-V275 PolarHBondContact O-N 2.88Å; I273-V275 VanDerWaalsContact C-N 3.27Å; I273-V275 PolarHBondContact O-N 2.94Å; V275-A278 PolarHBondContact O-N 3.29Å; V275-Q279 HydrophobicContact CG1-CG 4.48Å; V275-Q279 WeakPolarHBondContact O-CB 3.36Å; V275-Q279 VanDerWaalsContact O-CG 3.29Å; V275-Q279 WeakPolarHBondContact O-CG 3.37Å; V275-Q279 PolarHBondContact O-N 2.86Å |
| 276 | L | 92.8 | Very high | 88 | Confident | 109 Ų | 109 | 107.3 Ų | 107.3 | 57% | 0.571 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64 | -41.1 | 177.6 | -69.2 | 173.1 | 0 | 0 | 0 | 112 | K272 I273 Q279 L280 | K272-L276 WeakPolarHBondContact O-CG 3.47Å; K272-L276 PolarHBondContact O-N 3.45Å; I273-L276 PolarHBondContact O-N 2.93Å; I273-L276 VanDerWaalsContact O-N 3.12Å; L276-Q279 PolarHBondContact O-N 2.92Å; L276-L280 WeakPolarHBondContact O-CB 3.46Å; L276-L280 PolarHBondContact O-N 3.43Å |
| 277 | E | 91.5 | Very high | 86.2 | Confident | 115 Ų | 115 | 106.6 Ų | 106.6 | 54% | 0.537 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 173.4 | -74.7 | 173.8 | 168.8 | 0 | 0 | 111.1 | I273 L280 Q281 | I273-E277 HydrophobicContact CG2-CG 4.12Å; I273-E277 WeakPolarHBondContact CG2-OE1 3.35Å; I273-E277 WeakPolarHBondContact O-CB 3.3Å; I273-E277 WeakPolarHBondContact O-CG 3.37Å; I273-E277 PolarHBondContact O-N 3.38Å; E277-L280 PolarHBondContact O-N 3.36Å; E277-Q281 WeakPolarHBondContact O-CB 3.34Å; E277-Q281 PolarHBondContact O-N 2.75Å |
| 278 | A | 86.8 | Confident | 84.9 | Confident | 54 Ų | 54 | 106.6 Ų | 106.6 | 45% | 0.446 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K274 V275 Q281 V282 | K274-A278 VanDerWaalsContact O-CB 3.29Å; K274-A278 WeakPolarHBondContact O-CB 3.15Å; K274-A278 PolarHBondContact O-N 3.12Å; V275-A278 PolarHBondContact O-N 3.29Å; A278-Q281 WeakPolarHBondContact O-CB 3.37Å; A278-Q281 PolarHBondContact O-N 3.28Å; A278-V282 WeakPolarHBondContact O-CG2 3.4Å; A278-V282 PolarHBondContact O-N 2.87Å |
| 279 | Q | 87.6 | Confident | 83.6 | Confident | 108 Ų | 108 | 110.7 Ų | 110.7 | 51% | 0.505 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.3 | -44.5 | 174.3 | -74.5 | 174.3 | -5.9 | 0 | 0 | 111.3 | V275 L276 V282 C283 | V275-Q279 HydrophobicContact CG1-CG 4.48Å; V275-Q279 WeakPolarHBondContact O-CB 3.36Å; V275-Q279 VanDerWaalsContact O-CG 3.29Å; V275-Q279 WeakPolarHBondContact O-CG 3.37Å; V275-Q279 PolarHBondContact O-N 2.86Å; L276-Q279 PolarHBondContact O-N 2.92Å; Q279-V282 PolarHBondContact O-N 2.94Å; Q279-C283 PolarHBondContact O-N 3.14Å; Q279-C283 PolarHBondContact O-SG 3.48Å |
| 280 | L | 88.6 | Confident | 82.5 | Confident | 113 Ų | 113 | 112 Ų | 112 | 59% | 0.592 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.9 | -43.8 | 175.8 | -165.2 | 89 | 0 | 0 | 0 | 111.5 | L276 E277 V282 C283 L284 | L276-L280 WeakPolarHBondContact O-CB 3.46Å; L276-L280 PolarHBondContact O-N 3.43Å; E277-L280 PolarHBondContact O-N 3.36Å; L280-V282 VanDerWaalsContact C-N 3.28Å; L280-V282 PolarHBondContact O-N 3.4Å; L280-C283 PolarHBondContact O-N 3.23Å; L280-C283 VanDerWaalsContact O-N 3.15Å; L280-L284 HydrophobicContact CD2-CD1 4.16Å; L280-L284 HydrophobicContact CG-CD1 4.13Å; L280-L284 WeakPolarHBondContact O-CG 3.47Å; L280-L284 PolarHBondContact O-N 3.33Å |
| 281 | Q | 85.8 | Confident | 81.6 | Confident | 129 Ų | 129 | 106.7 Ų | 106.7 | 60% | 0.603 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -58.2 | -41 | 177.6 | -163.6 | 93.1 | 4.3 | 0 | 0 | 111.6 | E277 A278 L284 Q285 | E277-Q281 WeakPolarHBondContact O-CB 3.34Å; E277-Q281 PolarHBondContact O-N 2.75Å; A278-Q281 WeakPolarHBondContact O-CB 3.37Å; A278-Q281 PolarHBondContact O-N 3.28Å; Q281-L284 PolarHBondContact O-N 2.97Å; Q281-Q285 PolarHBondContact O-N 2.87Å |
| 282 | V | 77.8 | Confident | 81.2 | Confident | 72 Ų | 72 | 106.2 Ų | 106.2 | 44% | 0.436 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.6 | -43.3 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | A278 Q279 L280 L284 Q285 F287 | A278-V282 WeakPolarHBondContact O-CG2 3.4Å; A278-V282 PolarHBondContact O-N 2.87Å; Q279-V282 PolarHBondContact O-N 2.94Å; L280-V282 VanDerWaalsContact C-N 3.28Å; L280-V282 PolarHBondContact O-N 3.4Å; V282-L284 PolarHBondContact O-N 3.45Å; V282-Q285 PolarHBondContact O-N 2.87Å; V282-F287 HydrophobicContact CG1-CE2 4.09Å; V282-F287 HydrophobicContact CG1-CZ 4.48Å; V282-F287 WeakPolarHBondContact O-CE2 3.31Å |
| 283 | C | 79.8 | Confident | 80.5 | Confident | 109 Ų | 109 | 107.4 Ų | 107.4 | 74% | 0.736 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.7 | -30.3 | 177 | -69.5 | 0 | 0 | 0 | 0 | 113.3 | Q279 L280 | Q279-C283 PolarHBondContact O-N 3.14Å; Q279-C283 PolarHBondContact O-SG 3.48Å; L280-C283 PolarHBondContact O-N 3.23Å; L280-C283 VanDerWaalsContact O-N 3.15Å |
| 284 | L | 80.7 | Confident | 80.1 | Confident | 129 Ų | 129 | 110.9 Ų | 110.9 | 68% | 0.675 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -82.2 | -21.3 | 179.8 | -72.2 | 168.8 | 0 | 0 | 0 | 113.7 | L280 Q281 V282 K286 | L280-L284 HydrophobicContact CD2-CD1 4.16Å; L280-L284 HydrophobicContact CG-CD1 4.13Å; L280-L284 WeakPolarHBondContact O-CG 3.47Å; L280-L284 PolarHBondContact O-N 3.33Å; Q281-L284 PolarHBondContact O-N 2.97Å; V282-L284 PolarHBondContact O-N 3.45Å; L284-K286 PolarHBondContact O-N 3.39Å |
| 285 | Q | 74.9 | Confident | 79.7 | Confident | 108 Ų | 108 | 107.7 Ų | 107.7 | 51% | 0.505 | 56% | 0.556 | S | S | . | * | trans | -77.5 | 118.3 | 178.1 | -93.2 | -177.3 | -13.2 | 0 | 0 | 111.5 | Q281 V282 F287 | Q281-Q285 PolarHBondContact O-N 2.87Å; V282-Q285 PolarHBondContact O-N 2.87Å; Q285-F287 HydrophobicContact CB-CD1 4.49Å; Q285-F287 HydrophobicContact CB-CD2 3.96Å; Q285-F287 HydrophobicContact CB-CE1 4.01Å; Q285-F287 HydrophobicContact CB-CE2 3.42Å; Q285-F287 VanDerWaalsContact CB-CE2 3.42Å; Q285-F287 HydrophobicContact CB-CG 4.46Å; Q285-F287 HydrophobicContact CB-CZ 3.45Å; Q285-F287 VanDerWaalsContact CB-CZ 3.45Å; Q285-F287 HydrophobicContact CG-CZ 4.26Å; Q285-F287 WeakPolarHBondContact O-CD2 3.43Å; Q285-F287 WeakPolarHBondContact O-CE2 3.49Å; Q285-F287 PolarHBondContact O-N 3.46Å; Q285-F287 VanDerWaalsContact O-N 3.12Å | ||
| 286 | K | 65.5 | Low | 79.3 | Confident | 212 Ų | 212 | 109.9 Ų | 109.9 | 92% | 0.922 | 56% | 0.563 | S | S | * | * | trans | -74.6 | 97.8 | 167.1 | -70.5 | -169.6 | 177.7 | -177 | 0 | 109.3 | L284 | L284-K286 PolarHBondContact O-N 3.39Š| ||
| 287 | F | 58.8 | Low | 79 | Confident | 63 Ų | 63 | 111.2 Ų | 111.2 | 28% | 0.276 | 57% | 0.57 | S | S | . | * | trans | -88.4 | 133.7 | -179.3 | -63.6 | -84.9 | 0 | 0 | 0 | 112.6 | V282 Q285 V292 L295 | V282-F287 HydrophobicContact CG1-CE2 4.09Å; V282-F287 HydrophobicContact CG1-CZ 4.48Å; V282-F287 WeakPolarHBondContact O-CE2 3.31Å; Q285-F287 HydrophobicContact CB-CD1 4.49Å; Q285-F287 HydrophobicContact CB-CD2 3.96Å; Q285-F287 HydrophobicContact CB-CE1 4.01Å; Q285-F287 HydrophobicContact CB-CE2 3.42Å; Q285-F287 VanDerWaalsContact CB-CE2 3.42Å; Q285-F287 HydrophobicContact CB-CG 4.46Å; Q285-F287 HydrophobicContact CB-CZ 3.45Å; Q285-F287 VanDerWaalsContact CB-CZ 3.45Å; Q285-F287 HydrophobicContact CG-CZ 4.26Å; Q285-F287 WeakPolarHBondContact O-CD2 3.43Å; Q285-F287 WeakPolarHBondContact O-CE2 3.49Å; Q285-F287 PolarHBondContact O-N 3.46Å; Q285-F287 VanDerWaalsContact O-N 3.12Å; F287-V292 HydrophobicContact CB-CB 4.45Å; F287-V292 HydrophobicContact CB-CG2 3.11Å; F287-V292 HydrophobicContact CD1-CG2 4.3Å; F287-V292 HydrophobicContact CD2-CG2 4.12Å; F287-V292 HydrophobicContact CG-CG2 3.64Å; F287-L295 HydrophobicContact CE1-CD2 3.7Å; F287-L295 HydrophobicContact CZ-CD2 3.9Å | ||
| 288 | P | 66.3 | Low | 79 | Confident | 97 Ų | 97 | 110.6 Ų | 110.6 | 63% | 0.63 | 57% | 0.568 | S | S | * | * | trans | -63.4 | 140.7 | 160.6 | 25.7 | -29.5 | 0 | 0 | 0 | 109.1 | D290 G291 V292 | P288-D290 PolarHBondContact O-N 3.13Å; P288-G291 PolarHBondContact O-N 3.01Å; P288-V292 PolarHBondContact O-N 3.31Å | ||
| 289 | K | 66.6 | Low | 79 | Confident | 187 Ų | 187 | 113.3 Ų | 113.3 | 81% | 0.813 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -53.3 | -26.8 | -171.3 | -71.5 | -179.6 | 177.2 | 179 | 0 | 114.3 | ||
| 290 | D | 71.7 | Confident | 79 | Confident | 130 Ų | 130 | 112.9 Ų | 112.9 | 70% | 0.695 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -85.6 | -25.3 | 176.4 | -69.9 | -28.3 | 0 | 0 | 0 | 114.3 | P288 K294 | P288-D290 PolarHBondContact O-N 3.13Å; D290-K294 PolarHBondContact O-N 3.19Å |
| 291 | G | 76.6 | Confident | 79.2 | Confident | 30 Ų | 30 | 115.1 Ų | 115.1 | 31% | 0.309 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -70.3 | -37.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P288 K294 L295 | P288-G291 PolarHBondContact O-N 3.01Å; G291-K294 PolarHBondContact O-N 2.96Å; G291-L295 PolarHBondContact O-N 2.98Å |
| 292 | V | 79.3 | Confident | 79.4 | Confident | 56 Ų | 56 | 113.1 Ų | 113.1 | 34% | 0.339 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.8 | -48.2 | 177.2 | -176 | 0 | 0 | 0 | 0 | 111.4 | F287 P288 K294 L295 M296 | F287-V292 HydrophobicContact CB-CB 4.45Å; F287-V292 HydrophobicContact CB-CG2 3.11Å; F287-V292 HydrophobicContact CD1-CG2 4.3Å; F287-V292 HydrophobicContact CD2-CG2 4.12Å; F287-V292 HydrophobicContact CG-CG2 3.64Å; P288-V292 PolarHBondContact O-N 3.31Å; V292-K294 VanDerWaalsContact C-N 3.31Å; V292-K294 PolarHBondContact O-N 2.88Å; V292-L295 PolarHBondContact O-N 2.67Å; V292-M296 WeakPolarHBondContact O-CB 3.45Å; V292-M296 PolarHBondContact O-N 3.33Å |
| 293 | K | 82.5 | Confident | 80.1 | Confident | 141 Ų | 141 | 115.4 Ų | 115.4 | 61% | 0.613 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.4 | -41.4 | -178.1 | -69.7 | 179.9 | -179.3 | 174.3 | 0 | 111.4 | M296 L297 | K293-M296 PolarHBondContact O-N 2.85Å; K293-L297 PolarHBondContact O-N 3.47Å |
| 294 | K | 84.8 | Confident | 80.7 | Confident | 164 Ų | 164 | 111.7 Ų | 111.7 | 71% | 0.713 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.3 | -41.9 | 177.8 | -167.3 | 176.3 | -177.4 | 179.6 | 0 | 112.1 | D290 G291 V292 Q298 | D290-K294 PolarHBondContact O-N 3.19Å; G291-K294 PolarHBondContact O-N 2.96Å; V292-K294 VanDerWaalsContact C-N 3.31Å; V292-K294 PolarHBondContact O-N 2.88Å; K294-Q298 WeakPolarHBondContact O-CB 2.89Å; K294-Q298 PolarHBondContact O-N 3.46Å; K294-Q298 VanDerWaalsContact O-N 3.08Å |
| 295 | L | 83.8 | Confident | 81.3 | Confident | 61 Ų | 61 | 108 Ų | 108 | 32% | 0.319 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 176.3 | -175.9 | 65.2 | 0 | 0 | 0 | 111.6 | F287 G291 V292 L297 Q298 M299 | F287-L295 HydrophobicContact CE1-CD2 3.7Å; F287-L295 HydrophobicContact CZ-CD2 3.9Å; G291-L295 PolarHBondContact O-N 2.98Å; V292-L295 PolarHBondContact O-N 2.67Å; L295-L297 PolarHBondContact O-N 3.04Å; L295-Q298 WeakPolarHBondContact O-CB 3.44Å; L295-Q298 PolarHBondContact O-N 3.29Å; L295-Q298 VanDerWaalsContact O-N 3.16Å; L295-M299 WeakPolarHBondContact O-CG 3.33Å; L295-M299 PolarHBondContact O-N 3.03Å |
| 296 | M | 82.8 | Confident | 82.2 | Confident | 121 Ų | 121 | 110.4 Ų | 110.4 | 60% | 0.596 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.2 | -46.9 | 176.3 | -174.3 | -169 | -68.7 | 0 | 0 | 111.3 | V292 K293 Q298 M299 E300 | V292-M296 WeakPolarHBondContact O-CB 3.45Å; V292-M296 PolarHBondContact O-N 3.33Å; K293-M296 PolarHBondContact O-N 2.85Å; M296-Q298 VanDerWaalsContact C-N 3.28Å; M296-Q298 PolarHBondContact O-N 3.09Å; M296-M299 PolarHBondContact O-N 2.81Å; M296-E300 WeakPolarHBondContact O-CB 3.38Å; M296-E300 PolarHBondContact O-N 3.03Å |
| 297 | L | 87.2 | Confident | 83.5 | Confident | 136 Ų | 136 | 104.9 Ų | 104.9 | 71% | 0.712 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.5 | -38.7 | 176.1 | -127.1 | 95.1 | 0 | 0 | 0 | 112.1 | K293 L295 K301 | K293-L297 PolarHBondContact O-N 3.47Å; L295-L297 PolarHBondContact O-N 3.04Å; L297-K301 WeakPolarHBondContact O-CB 3.37Å; L297-K301 PolarHBondContact O-N 2.79Å |
| 298 | Q | 90.5 | Very high | 85.3 | Confident | 103 Ų | 103 | 108.1 Ų | 108.1 | 48% | 0.481 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68 | -41.5 | 177 | -178.6 | 178.1 | -19.6 | 0 | 0 | 111.9 | K294 L295 M296 K301 Q302 | K294-Q298 WeakPolarHBondContact O-CB 2.89Å; K294-Q298 PolarHBondContact O-N 3.46Å; K294-Q298 VanDerWaalsContact O-N 3.08Å; L295-Q298 WeakPolarHBondContact O-CB 3.44Å; L295-Q298 PolarHBondContact O-N 3.29Å; L295-Q298 VanDerWaalsContact O-N 3.16Å; M296-Q298 VanDerWaalsContact C-N 3.28Å; M296-Q298 PolarHBondContact O-N 3.09Å; Q298-K301 PolarHBondContact O-N 2.98Å; Q298-Q302 WeakPolarHBondContact O-CG 3.32Å; Q298-Q302 PolarHBondContact O-N 3.37Å |
| 299 | M | 86.9 | Confident | 86.7 | Confident | 111 Ų | 111 | 110.2 Ų | 110.2 | 55% | 0.547 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.5 | -40.4 | 176.9 | -70.4 | -162.8 | 80.3 | 0 | 0 | 111.8 | L295 M296 K301 Q302 R303 | L295-M299 WeakPolarHBondContact O-CG 3.33Å; L295-M299 PolarHBondContact O-N 3.03Å; M296-M299 PolarHBondContact O-N 2.81Å; M299-K301 VanDerWaalsContact C-N 3.32Å; M299-K301 PolarHBondContact O-N 3.45Å; M299-Q302 PolarHBondContact O-N 3.43Å; M299-R303 WeakPolarHBondContact O-CB 3.41Å; M299-R303 PolarHBondContact O-N 3.36Å |
| 300 | E | 88.2 | Confident | 88 | Confident | 98 Ų | 98 | 103.7 Ų | 103.7 | 46% | 0.458 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.2 | -45.2 | 174 | -164.2 | 76.2 | -160.5 | 0 | 0 | 110.5 | M296 R303 G304 | M296-E300 WeakPolarHBondContact O-CB 3.38Å; M296-E300 PolarHBondContact O-N 3.03Å; E300-R303 PolarHBondContact O-N 2.85Å; E300-R303 IonicContact OE1-CZ 3.89Å; E300-R303 IonicContact OE1-NH1 3.92Å; E300-R303 PolarHBondContact OE1-NH1 3.18Å; E300-R303 IonicContact OE1-NH2 3.02Å; E300-R303 PolarHBondContact OE1-NH2 3.24Å; E300-R303 IonicContact OE2-CZ 2.83Å; E300-R303 IonicContact OE2-NH1 3.86Å; E300-R303 PolarHBondContact OE2-NH1 2.79Å; E300-G304 PolarHBondContact O-N 3.41Å |
| 301 | K | 92.8 | Very high | 89.2 | Confident | 160 Ų | 160 | 102.7 Ų | 102.7 | 70% | 0.696 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.9 | -44.9 | 175.4 | -175 | 176.7 | -178.4 | 176.8 | 0 | 111.9 | L297 Q298 M299 T305 | L297-K301 WeakPolarHBondContact O-CB 3.37Å; L297-K301 PolarHBondContact O-N 2.79Å; Q298-K301 PolarHBondContact O-N 2.98Å; M299-K301 VanDerWaalsContact C-N 3.32Å; M299-K301 PolarHBondContact O-N 3.45Å; K301-T305 WeakPolarHBondContact O-CG2 3.27Å; K301-T305 PolarHBondContact O-N 2.9Å; K301-T305 VanDerWaalsContact O-N 3.14Å |
| 302 | Q | 90.8 | Very high | 90.2 | Very high | 87 Ų | 87 | 105.3 Ų | 105.3 | 41% | 0.407 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 176.7 | -75.1 | -177.7 | -9.2 | 0 | 0 | 111.3 | Q298 M299 G304 T305 Y306 | Q298-Q302 WeakPolarHBondContact O-CG 3.32Å; Q298-Q302 PolarHBondContact O-N 3.37Å; M299-Q302 PolarHBondContact O-N 3.43Å; Q302-G304 PolarHBondContact O-N 2.96Å; Q302-T305 PolarHBondContact O-N 3.11Å; Q302-T305 VanDerWaalsContact O-N 3.15Å; Q302-T305 PolarHBondContact O-OG1 3.36Å; Q302-Y306 HydrophobicContact CB-CD2 4.47Å; Q302-Y306 HydrophobicContact CB-CE2 4.29Å; Q302-Y306 WeakPolarHBondContact O-CD2 3.48Å; Q302-Y306 PolarHBondContact O-N 2.93Å |
| 303 | R | 91.6 | Very high | 90.9 | Very high | 120 Ų | 120 | 105.4 Ų | 105.4 | 45% | 0.453 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -55.7 | -51.3 | 176.3 | -164.5 | -170.8 | 81.1 | -135.8 | -8.4 | 110.8 | M299 E300 T305 Y306 E307 | M299-R303 WeakPolarHBondContact O-CB 3.41Å; M299-R303 PolarHBondContact O-N 3.36Å; E300-R303 PolarHBondContact O-N 2.85Å; E300-R303 IonicContact OE1-CZ 3.89Å; E300-R303 IonicContact OE1-NH1 3.92Å; E300-R303 PolarHBondContact OE1-NH1 3.18Å; E300-R303 IonicContact OE1-NH2 3.02Å; E300-R303 PolarHBondContact OE1-NH2 3.24Å; E300-R303 IonicContact OE2-CZ 2.83Å; E300-R303 IonicContact OE2-NH1 3.86Å; E300-R303 PolarHBondContact OE2-NH1 2.79Å; R303-T305 VanDerWaalsContact C-N 3.3Å; R303-T305 PolarHBondContact O-N 2.9Å; R303-Y306 PolarHBondContact O-N 3.5Å; R303-E307 VanDerWaalsContact CD-OE1 3.31Å; R303-E307 WeakPolarHBondContact CD-OE1 3.38Å; R303-E307 HydrophobicContact CG-CG 4.41Å; R303-E307 VanDerWaalsContact CG-OE1 3.32Å; R303-E307 WeakPolarHBondContact CG-OE1 3.45Å; R303-E307 IonicContact CZ-OE1 2.82Å; R303-E307 IonicContact NE-OE1 3.58Å; R303-E307 PolarHBondContact NE-OE1 3.08Å; R303-E307 IonicContact NE-OE2 2.61Å; R303-E307 WeakPolarHBondContact O-CG 3.45Å; R303-E307 PolarHBondContact O-N 3.46Å |
| 304 | G | 92 | Very high | 91.6 | Very high | 31 Ų | 31 | 104.3 Ų | 104.3 | 32% | 0.32 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -56.7 | -41.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E300 Q302 Y306 E307 E308 | E300-G304 PolarHBondContact O-N 3.41Å; Q302-G304 PolarHBondContact O-N 2.96Å; G304-Y306 PolarHBondContact O-N 2.77Å; G304-E307 PolarHBondContact O-N 3.13Å; G304-E308 WeakPolarHBondContact O-CB 3.46Å; G304-E308 PolarHBondContact O-N 2.98Å |
| 305 | T | 93.6 | Very high | 92.2 | Very high | 53 Ų | 53 | 102.6 Ų | 102.6 | 33% | 0.325 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.4 | -31.4 | 176.6 | 62 | 0 | 0 | 0 | 0 | 114 | K301 Q302 R303 K309 | K301-T305 WeakPolarHBondContact O-CG2 3.27Å; K301-T305 PolarHBondContact O-N 2.9Å; K301-T305 VanDerWaalsContact O-N 3.14Å; Q302-T305 PolarHBondContact O-N 3.11Å; Q302-T305 VanDerWaalsContact O-N 3.15Å; Q302-T305 PolarHBondContact O-OG1 3.36Å; R303-T305 VanDerWaalsContact C-N 3.3Å; R303-T305 PolarHBondContact O-N 2.9Å; T305-K309 WeakPolarHBondContact O-CB 3.47Å; T305-K309 WeakPolarHBondContact O-CD 3.5Å; T305-K309 WeakPolarHBondContact O-CG 3.28Å; T305-K309 PolarHBondContact O-N 3.3Å |
| 306 | Y | 94.1 | Very high | 92.8 | Very high | 158 Ų | 158 | 105.9 Ų | 105.9 | 62% | 0.62 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -74.5 | -41.1 | 174.7 | -76.1 | -66.3 | 0 | 0 | 0 | 111.2 | Q302 R303 G304 K309 A310 | Q302-Y306 HydrophobicContact CB-CD2 4.47Å; Q302-Y306 HydrophobicContact CB-CE2 4.29Å; Q302-Y306 WeakPolarHBondContact O-CD2 3.48Å; Q302-Y306 PolarHBondContact O-N 2.93Å; R303-Y306 PolarHBondContact O-N 3.5Å; G304-Y306 PolarHBondContact O-N 2.77Å; Y306-K309 PolarHBondContact O-N 2.88Å; Y306-A310 VanDerWaalsContact O-CB 3.25Å; Y306-A310 WeakPolarHBondContact O-CB 3.41Å; Y306-A310 PolarHBondContact O-N 2.94Å |
| 307 | E | 93.3 | Very high | 93.5 | Very high | 95 Ų | 95 | 102.6 Ų | 102.6 | 44% | 0.444 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.6 | -47.7 | 174.8 | -73.4 | 170.1 | -178.4 | 0 | 0 | 110.9 | R303 G304 K309 A310 L311 | R303-E307 VanDerWaalsContact CD-OE1 3.31Å; R303-E307 WeakPolarHBondContact CD-OE1 3.38Å; R303-E307 HydrophobicContact CG-CG 4.41Å; R303-E307 VanDerWaalsContact CG-OE1 3.32Å; R303-E307 WeakPolarHBondContact CG-OE1 3.45Å; R303-E307 IonicContact CZ-OE1 2.82Å; R303-E307 IonicContact NE-OE1 3.58Å; R303-E307 PolarHBondContact NE-OE1 3.08Å; R303-E307 IonicContact NE-OE2 2.61Å; R303-E307 WeakPolarHBondContact O-CG 3.45Å; R303-E307 PolarHBondContact O-N 3.46Å; G304-E307 PolarHBondContact O-N 3.13Å; E307-K309 PolarHBondContact O-N 3.47Å; E307-A310 PolarHBondContact O-N 2.95Å; E307-L311 WeakPolarHBondContact O-CB 3.46Å; E307-L311 WeakPolarHBondContact O-CG 3.48Å; E307-L311 PolarHBondContact O-N 2.98Å |
| 308 | E | 95.2 | Very high | 93.9 | Very high | 132 Ų | 132 | 100.4 Ų | 100.4 | 62% | 0.617 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.7 | -46.5 | 176.8 | -173.2 | 179 | -170.7 | 0 | 0 | 111.6 | G304 A310 L311 V312 | G304-E308 WeakPolarHBondContact O-CB 3.46Å; G304-E308 PolarHBondContact O-N 2.98Å; E308-A310 VanDerWaalsContact C-N 3.34Å; E308-A310 PolarHBondContact O-N 3.31Å; E308-L311 PolarHBondContact O-N 2.9Å; E308-V312 WeakPolarHBondContact O-CG2 3.35Å; E308-V312 PolarHBondContact O-N 2.9Å |
| 309 | K | 95.7 | Very high | 94.3 | Very high | 141 Ų | 141 | 100.6 Ų | 100.6 | 61% | 0.613 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.3 | -38.6 | 176.3 | -74.6 | 173.4 | -176.1 | 176.8 | 0 | 112.6 | T305 Y306 E307 A313 | T305-K309 WeakPolarHBondContact O-CB 3.47Å; T305-K309 WeakPolarHBondContact O-CD 3.5Å; T305-K309 WeakPolarHBondContact O-CG 3.28Å; T305-K309 PolarHBondContact O-N 3.3Å; Y306-K309 PolarHBondContact O-N 2.88Å; E307-K309 PolarHBondContact O-N 3.47Å; K309-A313 VanDerWaalsContact O-CB 3.3Å; K309-A313 WeakPolarHBondContact O-CB 3.32Å; K309-A313 PolarHBondContact O-N 2.85Å |
| 310 | A | 94.6 | Very high | 94.8 | Very high | 50 Ų | 50 | 100.6 Ų | 100.6 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y306 E307 E308 A313 L314 | Y306-A310 VanDerWaalsContact O-CB 3.25Å; Y306-A310 WeakPolarHBondContact O-CB 3.41Å; Y306-A310 PolarHBondContact O-N 2.94Å; E307-A310 PolarHBondContact O-N 2.95Å; E308-A310 VanDerWaalsContact C-N 3.34Å; E308-A310 PolarHBondContact O-N 3.31Å; A310-A313 PolarHBondContact O-N 3.31Å; A310-L314 WeakPolarHBondContact O-CB 3.45Å; A310-L314 WeakPolarHBondContact O-CG 3.48Å; A310-L314 PolarHBondContact O-N 2.99Å |
| 311 | L | 96.4 | Very high | 95.2 | Very high | 108 Ų | 108 | 102.7 Ų | 102.7 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.9 | -47.7 | 174.8 | -76 | 171.5 | 0 | 0 | 0 | 111.6 | E307 E308 A313 L314 Q315 | E307-L311 WeakPolarHBondContact O-CB 3.46Å; E307-L311 WeakPolarHBondContact O-CG 3.48Å; E307-L311 PolarHBondContact O-N 2.98Å; E308-L311 PolarHBondContact O-N 2.9Å; L311-A313 VanDerWaalsContact C-N 3.33Å; L311-A313 PolarHBondContact O-N 2.9Å; L311-L314 PolarHBondContact O-N 2.95Å; L311-Q315 WeakPolarHBondContact O-CB 3.46Å; L311-Q315 WeakPolarHBondContact O-CG 3.43Å; L311-Q315 PolarHBondContact O-N 3.48Å |
| 312 | V | 97.5 | Very high | 95.4 | Very high | 85 Ų | 85 | 97 Ų | 97 | 52% | 0.515 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 177.2 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | E308 K316 | E308-V312 WeakPolarHBondContact O-CG2 3.35Å; E308-V312 PolarHBondContact O-N 2.9Å; V312-K316 WeakPolarHBondContact O-CB 3.36Å; V312-K316 PolarHBondContact O-N 3.43Å |
| 313 | A | 95.3 | Very high | 95.7 | Very high | 59 Ų | 59 | 96.3 Ų | 96.3 | 49% | 0.488 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K309 A310 L311 K316 A317 | K309-A313 VanDerWaalsContact O-CB 3.3Å; K309-A313 WeakPolarHBondContact O-CB 3.32Å; K309-A313 PolarHBondContact O-N 2.85Å; A310-A313 PolarHBondContact O-N 3.31Å; L311-A313 VanDerWaalsContact C-N 3.33Å; L311-A313 PolarHBondContact O-N 2.9Å; A313-K316 PolarHBondContact O-N 3.07Å; A313-A317 WeakPolarHBondContact O-CB 3.36Å; A313-A317 PolarHBondContact O-N 2.88Å |
| 314 | L | 96.1 | Very high | 96 | Very high | 117 Ų | 117 | 93.1 Ų | 93.1 | 61% | 0.613 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.4 | -45.5 | 176.6 | -75.5 | 171.7 | 0 | 0 | 0 | 111.6 | A310 L311 K316 A317 T318 | A310-L314 WeakPolarHBondContact O-CB 3.45Å; A310-L314 WeakPolarHBondContact O-CG 3.48Å; A310-L314 PolarHBondContact O-N 2.99Å; L311-L314 PolarHBondContact O-N 2.95Å; L314-K316 VanDerWaalsContact C-N 3.31Å; L314-K316 PolarHBondContact O-N 3.04Å; L314-A317 PolarHBondContact O-N 3.5Å; L314-T318 WeakPolarHBondContact O-CG2 3.39Å; L314-T318 PolarHBondContact O-N 2.85Å; L314-T318 PolarHBondContact O-OG1 3.36Å; L314-T318 VanDerWaalsContact O-OG1 3.13Å |
| 315 | Q | 97.3 | Very high | 96.2 | Very high | 129 Ų | 129 | 96.1 Ų | 96.1 | 60% | 0.603 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.6 | -44 | 175.6 | -76.7 | 177.5 | -18.1 | 0 | 0 | 111.7 | L311 T318 Q319 | L311-Q315 WeakPolarHBondContact O-CB 3.46Å; L311-Q315 WeakPolarHBondContact O-CG 3.43Å; L311-Q315 PolarHBondContact O-N 3.48Å; Q315-T318 WeakPolarHBondContact CA-OG1 3.33Å; Q315-T318 PolarHBondContact O-N 2.99Å; Q315-T318 PolarHBondContact O-OG1 3.21Å; Q315-Q319 PolarHBondContact O-N 3.27Å |
| 316 | K | 97.7 | Very high | 96.4 | Very high | 130 Ų | 130 | 97.1 Ų | 97.1 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.9 | -46 | 174.9 | -177.1 | 175.8 | 172.8 | 177.1 | 0 | 111.7 | V312 A313 L314 T318 Q319 E320 | V312-K316 WeakPolarHBondContact O-CB 3.36Å; V312-K316 PolarHBondContact O-N 3.43Å; A313-K316 PolarHBondContact O-N 3.07Å; L314-K316 VanDerWaalsContact C-N 3.31Å; L314-K316 PolarHBondContact O-N 3.04Å; K316-T318 VanDerWaalsContact C-N 3.32Å; K316-T318 PolarHBondContact O-N 3.48Å; K316-Q319 PolarHBondContact O-N 3.26Å; K316-E320 WeakPolarHBondContact CE-OE1 3.49Å; K316-E320 HydrophobicContact CG-CG 4.48Å; K316-E320 IonicContact NZ-OE1 3.21Å; K316-E320 WeakPolarHBondContact O-CG 3.34Å; K316-E320 PolarHBondContact O-N 3.43Å |
| 317 | A | 97 | Very high | 96.6 | Very high | 52 Ų | 52 | 95.6 Ų | 95.6 | 43% | 0.43 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -37 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A313 L314 K321 | A313-A317 WeakPolarHBondContact O-CB 3.36Å; A313-A317 PolarHBondContact O-N 2.88Å; L314-A317 PolarHBondContact O-N 3.5Å; A317-K321 WeakPolarHBondContact O-CB 3.37Å; A317-K321 PolarHBondContact O-N 2.83Å |
| 318 | T | 95.8 | Very high | 96.7 | Very high | 89 Ų | 89 | 93.6 Ų | 93.6 | 55% | 0.546 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.8 | -37.4 | 175.3 | 50.6 | 0 | 0 | 0 | 0 | 112.3 | L314 Q315 K316 K321 A322 | L314-T318 WeakPolarHBondContact O-CG2 3.39Å; L314-T318 PolarHBondContact O-N 2.85Å; L314-T318 PolarHBondContact O-OG1 3.36Å; L314-T318 VanDerWaalsContact O-OG1 3.13Å; Q315-T318 WeakPolarHBondContact CA-OG1 3.33Å; Q315-T318 PolarHBondContact O-N 2.99Å; Q315-T318 PolarHBondContact O-OG1 3.21Å; K316-T318 VanDerWaalsContact C-N 3.32Å; K316-T318 PolarHBondContact O-N 3.48Å; T318-K321 PolarHBondContact O-N 2.86Å; T318-A322 PolarHBondContact O-N 2.97Å |
| 319 | Q | 98.1 | Very high | 96.9 | Very high | 107 Ų | 107 | 93.2 Ų | 93.2 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -48.7 | 174.9 | -174.8 | 61.4 | 38.3 | 0 | 0 | 111 | Q315 K316 K321 A322 D323 | Q315-Q319 PolarHBondContact O-N 3.27Å; K316-Q319 PolarHBondContact O-N 3.26Å; Q319-K321 PolarHBondContact O-N 3.27Å; Q319-A322 WeakPolarHBondContact O-CB 3.34Å; Q319-A322 PolarHBondContact O-N 3.03Å; Q319-D323 PolarHBondContact NE2-OD1 2.98Å; Q319-D323 VanDerWaalsContact O-CG 3.27Å; Q319-D323 PolarHBondContact O-N 2.8Å |
| 320 | E | 97.3 | Very high | 97 | Very high | 111 Ų | 111 | 90.4 Ų | 90.4 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.2 | -36.4 | 176.9 | -72.5 | 176.7 | 179.3 | 0 | 0 | 111.7 | K316 A324 | K316-E320 WeakPolarHBondContact CE-OE1 3.49Å; K316-E320 HydrophobicContact CG-CG 4.48Å; K316-E320 IonicContact NZ-OE1 3.21Å; K316-E320 WeakPolarHBondContact O-CG 3.34Å; K316-E320 PolarHBondContact O-N 3.43Å; E320-A324 VanDerWaalsContact O-CB 3.29Å; E320-A324 WeakPolarHBondContact O-CB 3.32Å; E320-A324 PolarHBondContact O-N 2.86Å |
| 321 | K | 96.9 | Very high | 97.1 | Very high | 143 Ų | 143 | 93.9 Ų | 93.9 | 62% | 0.622 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.8 | -44.8 | 172.9 | -178.4 | -177.2 | 174.8 | -177.8 | 0 | 111.8 | A317 T318 Q319 A324 L325 | A317-K321 WeakPolarHBondContact O-CB 3.37Å; A317-K321 PolarHBondContact O-N 2.83Å; T318-K321 PolarHBondContact O-N 2.86Å; Q319-K321 PolarHBondContact O-N 3.27Å; K321-A324 PolarHBondContact O-N 2.89Å; K321-L325 HydrophobicContact CG-CD1 4.3Å; K321-L325 WeakPolarHBondContact O-CG 3.32Å; K321-L325 PolarHBondContact O-N 3.42Å |
| 322 | A | 97.2 | Very high | 97.2 | Very high | 41 Ų | 41 | 94 Ų | 94 | 34% | 0.339 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | T318 Q319 A324 L325 C326 | T318-A322 PolarHBondContact O-N 2.97Å; Q319-A322 WeakPolarHBondContact O-CB 3.34Å; Q319-A322 PolarHBondContact O-N 3.03Å; A322-A324 VanDerWaalsContact C-N 3.32Å; A322-A324 PolarHBondContact O-N 3.01Å; A322-L325 PolarHBondContact O-N 3.33Å; A322-L325 VanDerWaalsContact O-N 3.15Å; A322-C326 PolarHBondContact O-N 3.27Å; A322-C326 PolarHBondContact O-SG 2.93Å |
| 323 | D | 97.4 | Very high | 97.3 | Very high | 72 Ų | 72 | 96.3 Ų | 96.3 | 39% | 0.385 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 177.5 | -62.9 | -19.9 | 0 | 0 | 0 | 111.5 | Q319 C326 Q327 | Q319-D323 PolarHBondContact NE2-OD1 2.98Å; Q319-D323 VanDerWaalsContact O-CG 3.27Å; Q319-D323 PolarHBondContact O-N 2.8Å; D323-C326 PolarHBondContact O-N 3.47Å; D323-Q327 VanDerWaalsContact O-CG 3.31Å; D323-Q327 WeakPolarHBondContact O-CG 3.33Å; D323-Q327 PolarHBondContact O-N 3.46Å |
| 324 | A | 96.5 | Very high | 97.4 | Very high | 53 Ų | 53 | 96 Ų | 96 | 44% | 0.438 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -36.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E320 K321 A322 Q327 A328 | E320-A324 VanDerWaalsContact O-CB 3.29Å; E320-A324 WeakPolarHBondContact O-CB 3.32Å; E320-A324 PolarHBondContact O-N 2.86Å; K321-A324 PolarHBondContact O-N 2.89Å; A322-A324 VanDerWaalsContact C-N 3.32Å; A322-A324 PolarHBondContact O-N 3.01Å; A324-Q327 PolarHBondContact O-N 2.97Å; A324-A328 WeakPolarHBondContact O-CB 3.42Å; A324-A328 PolarHBondContact O-N 2.9Å |
| 325 | L | 98 | Very high | 97.5 | Very high | 94 Ų | 94 | 94.4 Ų | 94.4 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.7 | -46.2 | 175.6 | -73.2 | 172.6 | 0 | 0 | 0 | 111.5 | K321 A322 Q327 A328 E329 | K321-L325 HydrophobicContact CG-CD1 4.3Å; K321-L325 WeakPolarHBondContact O-CG 3.32Å; K321-L325 PolarHBondContact O-N 3.42Å; A322-L325 PolarHBondContact O-N 3.33Å; A322-L325 VanDerWaalsContact O-N 3.15Å; L325-Q327 VanDerWaalsContact C-N 3.28Å; L325-Q327 PolarHBondContact O-N 3.46Å; L325-A328 WeakPolarHBondContact O-CB 3.31Å; L325-A328 PolarHBondContact O-N 3.2Å; L325-A328 VanDerWaalsContact O-N 3.09Å; L325-E329 PolarHBondContact O-N 3.41Å |
| 326 | C | 96.9 | Very high | 97.5 | Very high | 73 Ų | 73 | 92 Ų | 92 | 49% | 0.493 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.4 | -42.1 | 174.7 | -67.4 | 0 | 0 | 0 | 0 | 111.5 | A322 D323 A328 E329 T330 | A322-C326 PolarHBondContact O-N 3.27Å; A322-C326 PolarHBondContact O-SG 2.93Å; D323-C326 PolarHBondContact O-N 3.47Å; C326-A328 PolarHBondContact O-N 3.42Å; C326-E329 PolarHBondContact O-N 3.25Å; C326-T330 WeakPolarHBondContact O-CG2 3.43Å; C326-T330 PolarHBondContact O-N 3.37Å |
| 327 | Q | 98.2 | Very high | 97.6 | Very high | 126 Ų | 126 | 89.8 Ų | 89.8 | 59% | 0.589 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.8 | -43 | 174.2 | -73.4 | 174.7 | 19 | 0 | 0 | 112.1 | D323 A324 L325 E329 T330 L331 | D323-Q327 VanDerWaalsContact O-CG 3.31Å; D323-Q327 WeakPolarHBondContact O-CG 3.33Å; D323-Q327 PolarHBondContact O-N 3.46Å; A324-Q327 PolarHBondContact O-N 2.97Å; L325-Q327 VanDerWaalsContact C-N 3.28Å; L325-Q327 PolarHBondContact O-N 3.46Å; Q327-E329 VanDerWaalsContact C-N 3.33Å; Q327-E329 PolarHBondContact O-N 2.9Å; Q327-T330 PolarHBondContact O-N 3.2Å; Q327-T330 PolarHBondContact O-OG1 2.8Å; Q327-L331 WeakPolarHBondContact O-CG 3.48Å; Q327-L331 PolarHBondContact O-N 3.31Å |
| 328 | A | 96.4 | Very high | 97.6 | Very high | 54 Ų | 54 | 89.7 Ų | 89.7 | 45% | 0.446 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A324 L325 C326 L331 Q332 | A324-A328 WeakPolarHBondContact O-CB 3.42Å; A324-A328 PolarHBondContact O-N 2.9Å; L325-A328 WeakPolarHBondContact O-CB 3.31Å; L325-A328 PolarHBondContact O-N 3.2Å; L325-A328 VanDerWaalsContact O-N 3.09Å; C326-A328 PolarHBondContact O-N 3.42Å; A328-L331 PolarHBondContact O-N 3.03Å; A328-Q332 WeakPolarHBondContact O-CB 3.46Å; A328-Q332 PolarHBondContact O-N 3.31Å |
| 329 | E | 97.6 | Very high | 97.7 | Very high | 124 Ų | 124 | 90.4 Ų | 90.4 | 58% | 0.579 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.4 | -47.4 | 175.4 | -71.2 | 172.2 | 175.6 | 0 | 0 | 111.7 | L325 C326 Q327 L331 Q332 E333 | L325-E329 PolarHBondContact O-N 3.41Å; C326-E329 PolarHBondContact O-N 3.25Å; Q327-E329 VanDerWaalsContact C-N 3.33Å; Q327-E329 PolarHBondContact O-N 2.9Å; E329-L331 VanDerWaalsContact C-N 3.3Å; E329-L331 PolarHBondContact O-N 3.33Å; E329-Q332 WeakPolarHBondContact O-CB 3.38Å; E329-Q332 PolarHBondContact O-N 2.92Å; E329-Q332 VanDerWaalsContact O-N 3.09Å; E329-E333 PolarHBondContact O-N 2.98Å |
| 330 | T | 98.2 | Very high | 97.7 | Very high | 82 Ų | 82 | 88.1 Ų | 88.1 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.5 | -37.2 | 177 | 61 | 0 | 0 | 0 | 0 | 112.9 | C326 Q327 E333 A334 | C326-T330 WeakPolarHBondContact O-CG2 3.43Å; C326-T330 PolarHBondContact O-N 3.37Å; Q327-T330 PolarHBondContact O-N 3.2Å; Q327-T330 PolarHBondContact O-OG1 2.8Å; T330-E333 PolarHBondContact O-N 3.47Å; T330-A334 WeakPolarHBondContact O-CB 3.45Å; T330-A334 PolarHBondContact O-N 3.27Å |
| 331 | L | 98.2 | Very high | 97.8 | Very high | 122 Ų | 122 | 88.1 Ų | 88.1 | 64% | 0.639 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -69.2 | -35.2 | 175.6 | -71.7 | 175.6 | 0 | 0 | 0 | 111.8 | Q327 A328 E329 A334 L335 | Q327-L331 WeakPolarHBondContact O-CG 3.48Å; Q327-L331 PolarHBondContact O-N 3.31Å; A328-L331 PolarHBondContact O-N 3.03Å; E329-L331 VanDerWaalsContact C-N 3.3Å; E329-L331 PolarHBondContact O-N 3.33Å; L331-A334 PolarHBondContact O-N 3.04Å; L331-L335 WeakPolarHBondContact O-CB 3.39Å; L331-L335 PolarHBondContact O-N 3.36Å |
| 332 | Q | 98.3 | Very high | 97.8 | Very high | 111 Ų | 111 | 84 Ų | 84 | 52% | 0.519 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 175.5 | -175.7 | 61.9 | 27.9 | 0 | 0 | 111.3 | A328 E329 L335 V336 | A328-Q332 WeakPolarHBondContact O-CB 3.46Å; A328-Q332 PolarHBondContact O-N 3.31Å; E329-Q332 WeakPolarHBondContact O-CB 3.38Å; E329-Q332 PolarHBondContact O-N 2.92Å; E329-Q332 VanDerWaalsContact O-N 3.09Å; Q332-L335 WeakPolarHBondContact O-CB 3.42Å; Q332-L335 PolarHBondContact O-N 3.07Å; Q332-V336 WeakPolarHBondContact O-CG2 3.37Å; Q332-V336 PolarHBondContact O-N 3.4Å |
| 333 | E | 98.4 | Very high | 97.9 | Very high | 134 Ų | 134 | 87.4 Ų | 87.4 | 63% | 0.626 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.7 | -46.4 | 173.6 | -69.3 | 176.6 | 175.6 | 0 | 0 | 111.2 | E329 T330 L335 V336 T337 | E329-E333 PolarHBondContact O-N 2.98Å; T330-E333 PolarHBondContact O-N 3.47Å; E333-L335 VanDerWaalsContact C-N 3.29Å; E333-L335 PolarHBondContact O-N 3.36Å; E333-V336 PolarHBondContact O-N 3.09Å; E333-T337 WeakPolarHBondContact O-CG2 3.47Å; E333-T337 PolarHBondContact O-N 3.43Å; E333-T337 PolarHBondContact O-OG1 3.09Å |
| 334 | A | 97.6 | Very high | 98 | Very high | 52 Ų | 52 | 89.8 Ų | 89.8 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.2 | -39.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T330 L331 T337 A338 | T330-A334 WeakPolarHBondContact O-CB 3.45Å; T330-A334 PolarHBondContact O-N 3.27Å; L331-A334 PolarHBondContact O-N 3.04Å; A334-T337 WeakPolarHBondContact CA-OG1 3.33Å; A334-T337 PolarHBondContact O-N 3.48Å; A334-T337 PolarHBondContact O-OG1 2.76Å; A334-A338 WeakPolarHBondContact O-CB 3.31Å; A334-A338 PolarHBondContact O-N 3.49Å |
| 335 | L | 98 | Very high | 98 | Very high | 84 Ų | 84 | 94.4 Ų | 94.4 | 44% | 0.44 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 175.3 | -178.7 | 69.4 | 0 | 0 | 0 | 111.7 | L331 Q332 E333 T337 A338 Q339 | L331-L335 WeakPolarHBondContact O-CB 3.39Å; L331-L335 PolarHBondContact O-N 3.36Å; Q332-L335 WeakPolarHBondContact O-CB 3.42Å; Q332-L335 PolarHBondContact O-N 3.07Å; E333-L335 VanDerWaalsContact C-N 3.29Å; E333-L335 PolarHBondContact O-N 3.36Å; L335-T337 VanDerWaalsContact C-N 3.35Å; L335-T337 PolarHBondContact O-N 2.96Å; L335-A338 PolarHBondContact O-N 3.33Å; L335-Q339 WeakPolarHBondContact O-CB 3.29Å; L335-Q339 VanDerWaalsContact O-CG 3.29Å; L335-Q339 WeakPolarHBondContact O-CG 3.35Å; L335-Q339 PolarHBondContact O-N 2.96Å |
| 336 | V | 98.3 | Very high | 98.1 | Very high | 78 Ų | 78 | 94.8 Ų | 94.8 | 47% | 0.473 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 178.3 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | Q332 E333 Q339 A340 | Q332-V336 WeakPolarHBondContact O-CG2 3.37Å; Q332-V336 PolarHBondContact O-N 3.4Å; E333-V336 PolarHBondContact O-N 3.09Å; V336-Q339 PolarHBondContact O-N 2.69Å; V336-A340 PolarHBondContact O-N 3.49Å |
| 337 | T | 98.3 | Very high | 98.1 | Very high | 83 Ų | 83 | 93.7 Ų | 93.7 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 176.2 | 61.3 | 0 | 0 | 0 | 0 | 112 | E333 A334 L335 Q339 A340 E341 | E333-T337 WeakPolarHBondContact O-CG2 3.47Å; E333-T337 PolarHBondContact O-N 3.43Å; E333-T337 PolarHBondContact O-OG1 3.09Å; A334-T337 WeakPolarHBondContact CA-OG1 3.33Å; A334-T337 PolarHBondContact O-N 3.48Å; A334-T337 PolarHBondContact O-OG1 2.76Å; L335-T337 VanDerWaalsContact C-N 3.35Å; L335-T337 PolarHBondContact O-N 2.96Å; T337-Q339 VanDerWaalsContact C-N 3.31Å; T337-Q339 PolarHBondContact O-N 3.15Å; T337-A340 PolarHBondContact O-N 3.39Å; T337-E341 WeakPolarHBondContact O-CG 3.25Å; T337-E341 PolarHBondContact O-N 2.96Å |
| 338 | A | 97.9 | Very high | 98.2 | Very high | 50 Ų | 50 | 90.9 Ų | 90.9 | 41% | 0.413 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62 | -37.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A334 L335 E341 A342 | A334-A338 WeakPolarHBondContact O-CB 3.31Å; A334-A338 PolarHBondContact O-N 3.49Å; L335-A338 PolarHBondContact O-N 3.33Å; A338-E341 PolarHBondContact O-N 3.44Å; A338-A342 WeakPolarHBondContact O-CB 3.41Å; A338-A342 PolarHBondContact O-N 3.01Å |
| 339 | Q | 98.5 | Very high | 98.2 | Very high | 105 Ų | 105 | 95.1 Ų | 95.1 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65 | -44.2 | 174.3 | -75 | 175.2 | -7.7 | 0 | 0 | 112 | L335 V336 T337 E341 A342 L343 | L335-Q339 WeakPolarHBondContact O-CB 3.29Å; L335-Q339 VanDerWaalsContact O-CG 3.29Å; L335-Q339 WeakPolarHBondContact O-CG 3.35Å; L335-Q339 PolarHBondContact O-N 2.96Å; V336-Q339 PolarHBondContact O-N 2.69Å; T337-Q339 VanDerWaalsContact C-N 3.31Å; T337-Q339 PolarHBondContact O-N 3.15Å; Q339-E341 VanDerWaalsContact C-N 3.33Å; Q339-E341 PolarHBondContact O-N 3.11Å; Q339-A342 PolarHBondContact O-N 2.93Å; Q339-L343 WeakPolarHBondContact O-CG 3.33Å; Q339-L343 PolarHBondContact O-N 2.87Å |
| 340 | A | 98.3 | Very high | 98.3 | Very high | 59 Ų | 59 | 94.9 Ų | 94.9 | 49% | 0.488 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V336 T337 L343 R344 | V336-A340 PolarHBondContact O-N 3.49Å; T337-A340 PolarHBondContact O-N 3.39Å; A340-L343 PolarHBondContact O-N 3.38Å; A340-R344 PolarHBondContact O-N 3.46Å |
| 341 | E | 98.4 | Very high | 98.3 | Very high | 110 Ų | 110 | 96.3 Ų | 96.3 | 51% | 0.514 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 174.8 | -73.2 | -177.9 | 178.4 | 0 | 0 | 112.4 | T337 A338 Q339 L343 R344 W345 | T337-E341 WeakPolarHBondContact O-CG 3.25Å; T337-E341 PolarHBondContact O-N 2.96Å; A338-E341 PolarHBondContact O-N 3.44Å; Q339-E341 VanDerWaalsContact C-N 3.33Å; Q339-E341 PolarHBondContact O-N 3.11Å; E341-L343 VanDerWaalsContact C-N 3.34Å; E341-L343 PolarHBondContact O-N 2.89Å; E341-R344 WeakPolarHBondContact O-CB 3.42Å; E341-R344 PolarHBondContact O-N 3.37Å; E341-W345 PolarHBondContact O-N 2.8Å |
| 342 | A | 98.1 | Very high | 98.3 | Very high | 57 Ų | 57 | 95.8 Ų | 95.8 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | A338 Q339 W345 Q346 | A338-A342 WeakPolarHBondContact O-CB 3.41Å; A338-A342 PolarHBondContact O-N 3.01Å; Q339-A342 PolarHBondContact O-N 2.93Å; A342-W345 PolarHBondContact O-N 3.26Å; A342-Q346 WeakPolarHBondContact O-CB 3.48Å; A342-Q346 PolarHBondContact O-N 3.08Å |
| 343 | L | 98.6 | Very high | 98.3 | Very high | 113 Ų | 113 | 94.7 Ų | 94.7 | 59% | 0.592 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.7 | -40.9 | 174.9 | -70.6 | 173.3 | 0 | 0 | 0 | 111.8 | Q339 A340 E341 Q346 S347 | Q339-L343 WeakPolarHBondContact O-CG 3.33Å; Q339-L343 PolarHBondContact O-N 2.87Å; A340-L343 PolarHBondContact O-N 3.38Å; E341-L343 VanDerWaalsContact C-N 3.34Å; E341-L343 PolarHBondContact O-N 2.89Å; L343-Q346 WeakPolarHBondContact O-CB 3.39Å; L343-Q346 PolarHBondContact O-N 3.31Å; L343-S347 PolarHBondContact O-N 3.23Å |
| 344 | R | 98.6 | Very high | 98.3 | Very high | 121 Ų | 121 | 94.6 Ų | 94.6 | 46% | 0.457 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 175 | -170.9 | -177.3 | 70.8 | 84 | 4.5 | 112 | A340 E341 Q346 S347 L348 | A340-R344 PolarHBondContact O-N 3.46Å; E341-R344 WeakPolarHBondContact O-CB 3.42Å; E341-R344 PolarHBondContact O-N 3.37Å; R344-Q346 VanDerWaalsContact C-N 3.31Å; R344-Q346 PolarHBondContact O-N 3.44Å; R344-S347 PolarHBondContact O-N 3.32Å; R344-S347 PolarHBondContact O-OG 2.92Å; R344-L348 HydrophobicContact CG-CD1 4.41Å; R344-L348 WeakPolarHBondContact O-CG 3.34Å; R344-L348 PolarHBondContact O-N 3.45Å; R344-L348 VanDerWaalsContact O-N 3.12Å |
| 345 | W | 98.1 | Very high | 98.4 | Very high | 150 Ų | 150 | 95 Ų | 95 | 57% | 0.568 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66 | -36.1 | 175.2 | -70.5 | 122.8 | 0 | 0 | 0 | 112.1 | E341 A342 L348 Y349 | E341-W345 PolarHBondContact O-N 2.8Å; A342-W345 PolarHBondContact O-N 3.26Å; W345-L348 HydrophobicContact CE3-CD1 3.91Å; W345-L348 HydrophobicContact CZ3-CD1 4Å; W345-Y349 WeakPolarHBondContact O-CB 3.32Å; W345-Y349 PolarHBondContact O-N 2.99Å |
| 346 | Q | 98.6 | Very high | 98.3 | Very high | 102 Ų | 102 | 93.5 Ų | 93.5 | 48% | 0.477 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 176 | -169.5 | -174.3 | 33.3 | 0 | 0 | 112.3 | A342 L343 R344 K350 | A342-Q346 WeakPolarHBondContact O-CB 3.48Å; A342-Q346 PolarHBondContact O-N 3.08Å; L343-Q346 WeakPolarHBondContact O-CB 3.39Å; L343-Q346 PolarHBondContact O-N 3.31Å; R344-Q346 VanDerWaalsContact C-N 3.31Å; R344-Q346 PolarHBondContact O-N 3.44Å; Q346-K350 WeakPolarHBondContact O-CG 3.43Å; Q346-K350 PolarHBondContact O-N 2.61Å; Q346-K350 VanDerWaalsContact O-N 3.16Å |
| 347 | S | 98.6 | Very high | 98.3 | Very high | 51 Ų | 51 | 90.6 Ų | 90.6 | 36% | 0.357 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.8 | -47.4 | 176.9 | 65.1 | 0 | 0 | 0 | 0 | 111.3 | L343 R344 Y349 K350 E351 | L343-S347 PolarHBondContact O-N 3.23Å; R344-S347 PolarHBondContact O-N 3.32Å; R344-S347 PolarHBondContact O-OG 2.92Å; S347-Y349 VanDerWaalsContact C-N 3.29Å; S347-Y349 PolarHBondContact O-N 3.13Å; S347-K350 WeakPolarHBondContact O-CB 3.31Å; S347-K350 PolarHBondContact O-N 3.39Å; S347-E351 PolarHBondContact O-N 2.99Å |
| 348 | L | 98.6 | Very high | 98.3 | Very high | 66 Ų | 66 | 92.4 Ų | 92.4 | 35% | 0.346 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 177.2 | -71.2 | 173.6 | 0 | 0 | 0 | 112.4 | R344 W345 E351 L352 | R344-L348 HydrophobicContact CG-CD1 4.41Å; R344-L348 WeakPolarHBondContact O-CG 3.34Å; R344-L348 PolarHBondContact O-N 3.45Å; R344-L348 VanDerWaalsContact O-N 3.12Å; W345-L348 HydrophobicContact CE3-CD1 3.91Å; W345-L348 HydrophobicContact CZ3-CD1 4Å; L348-E351 PolarHBondContact O-N 2.98Å; L348-L352 WeakPolarHBondContact O-CB 3.31Å; L348-L352 PolarHBondContact O-N 3.4Å |
| 349 | Y | 98.1 | Very high | 98.4 | Very high | 143 Ų | 143 | 95.8 Ų | 95.8 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.8 | -43.7 | 174.8 | 174.9 | -101.1 | 0 | 0 | 0 | 111.8 | W345 S347 L352 M353 | W345-Y349 WeakPolarHBondContact O-CB 3.32Å; W345-Y349 PolarHBondContact O-N 2.99Å; S347-Y349 VanDerWaalsContact C-N 3.29Å; S347-Y349 PolarHBondContact O-N 3.13Å; Y349-L352 PolarHBondContact O-N 2.96Å; Y349-M353 HydrophobicContact CD1-CG 4.26Å; Y349-M353 HydrophobicContact CD2-CG 4.43Å; Y349-M353 HydrophobicContact CE1-CG 3.8Å; Y349-M353 HydrophobicContact CE2-CG 3.99Å; Y349-M353 HydrophobicContact CE2-SD 4.14Å; Y349-M353 WeakPolarHBondContact O-CB 3.41Å; Y349-M353 VanDerWaalsContact O-CG 3.28Å; Y349-M353 WeakPolarHBondContact O-CG 3.37Å; Y349-M353 PolarHBondContact O-N 2.88Å |
| 350 | K | 98.6 | Very high | 98.4 | Very high | 119 Ų | 119 | 97.6 Ų | 97.6 | 52% | 0.517 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 176.9 | -71.5 | 172.3 | 179.2 | 175.1 | 0 | 111.6 | Q346 S347 M353 L354 | Q346-K350 WeakPolarHBondContact O-CG 3.43Å; Q346-K350 PolarHBondContact O-N 2.61Å; Q346-K350 VanDerWaalsContact O-N 3.16Å; S347-K350 WeakPolarHBondContact O-CB 3.31Å; S347-K350 PolarHBondContact O-N 3.39Å; K350-M353 PolarHBondContact O-N 3.01Å; K350-L354 WeakPolarHBondContact O-CG 3.38Å; K350-L354 PolarHBondContact O-N 2.82Å |
| 351 | E | 98.5 | Very high | 98.4 | Very high | 113 Ų | 113 | 101.3 Ų | 101.3 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 175.7 | -71.4 | 168.3 | -156.5 | 0 | 0 | 112 | S347 L348 M353 L354 S355 | S347-E351 PolarHBondContact O-N 2.99Å; L348-E351 PolarHBondContact O-N 2.98Å; E351-M353 VanDerWaalsContact C-N 3.33Å; E351-M353 PolarHBondContact O-N 2.99Å; E351-L354 PolarHBondContact O-N 3.38Å; E351-S355 WeakPolarHBondContact O-CB 3.45Å; E351-S355 PolarHBondContact O-N 3.18Å; E351-S355 PolarHBondContact O-OG 3.34Å |
| 352 | L | 98.5 | Very high | 98.4 | Very high | 111 Ų | 111 | 100.2 Ų | 100.2 | 58% | 0.581 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.9 | -41 | 175.6 | -175.9 | 66.1 | 0 | 0 | 0 | 111.6 | L348 Y349 S355 S356 | L348-L352 WeakPolarHBondContact O-CB 3.31Å; L348-L352 PolarHBondContact O-N 3.4Å; Y349-L352 PolarHBondContact O-N 2.96Å; L352-S355 WeakPolarHBondContact CA-OG 3.28Å; L352-S355 PolarHBondContact O-OG 3.38Å; L352-S356 WeakPolarHBondContact O-CB 3.33Å; L352-S356 PolarHBondContact O-N 3.45Å |
| 353 | M | 98.2 | Very high | 98.4 | Very high | 87 Ų | 87 | 103.3 Ų | 103.3 | 43% | 0.429 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 177.2 | -74.7 | -59.9 | -58.3 | 0 | 0 | 112.1 | Y349 K350 E351 G357 | Y349-M353 HydrophobicContact CD1-CG 4.26Å; Y349-M353 HydrophobicContact CD2-CG 4.43Å; Y349-M353 HydrophobicContact CE1-CG 3.8Å; Y349-M353 HydrophobicContact CE2-CG 3.99Å; Y349-M353 HydrophobicContact CE2-SD 4.14Å; Y349-M353 WeakPolarHBondContact O-CB 3.41Å; Y349-M353 VanDerWaalsContact O-CG 3.28Å; Y349-M353 WeakPolarHBondContact O-CG 3.37Å; Y349-M353 PolarHBondContact O-N 2.88Å; K350-M353 PolarHBondContact O-N 3.01Å; E351-M353 VanDerWaalsContact C-N 3.33Å; E351-M353 PolarHBondContact O-N 2.99Å; M353-G357 PolarHBondContact O-N 3.19Å |
| 354 | L | 98.5 | Very high | 98.3 | Very high | 133 Ų | 133 | 103.2 Ų | 103.2 | 70% | 0.696 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.1 | -49.3 | 176.4 | -70.1 | 172.8 | 0 | 0 | 0 | 111.5 | K350 E351 S356 G357 Q358 | K350-L354 WeakPolarHBondContact O-CG 3.38Å; K350-L354 PolarHBondContact O-N 2.82Å; E351-L354 PolarHBondContact O-N 3.38Å; L354-S356 PolarHBondContact O-N 2.96Å; L354-G357 WeakPolarHBondContact O-CA 3.47Å; L354-G357 PolarHBondContact O-N 3.44Å; L354-G357 VanDerWaalsContact O-N 3.14Å; L354-Q358 PolarHBondContact O-N 3.1Å |
| 355 | S | 98.2 | Very high | 98.3 | Very high | 60 Ų | 60 | 102.3 Ų | 102.3 | 42% | 0.42 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -38.2 | 178.9 | 53.8 | 0 | 0 | 0 | 0 | 112.8 | E351 L352 Q358 L359 | E351-S355 WeakPolarHBondContact O-CB 3.45Å; E351-S355 PolarHBondContact O-N 3.18Å; E351-S355 PolarHBondContact O-OG 3.34Å; L352-S355 WeakPolarHBondContact CA-OG 3.28Å; L352-S355 PolarHBondContact O-OG 3.38Å; S355-Q358 PolarHBondContact O-N 2.98Å; S355-L359 WeakPolarHBondContact O-CB 3.38Å; S355-L359 PolarHBondContact O-N 3.45Å |
| 356 | S | 97.7 | Very high | 98.3 | Very high | 52 Ų | 52 | 97.9 Ų | 97.9 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 172.2 | 180 | 0 | 0 | 0 | 0 | 112.1 | L352 L354 R360 | L352-S356 WeakPolarHBondContact O-CB 3.33Å; L352-S356 PolarHBondContact O-N 3.45Å; L354-S356 PolarHBondContact O-N 2.96Å; S356-R360 WeakPolarHBondContact O-CG 3.3Å; S356-R360 PolarHBondContact O-N 3.49Å; S356-R360 VanDerWaalsContact O-N 3.09Å |
| 357 | G | 98.3 | Very high | 98.3 | Very high | 17 Ų | 17 | 96 Ų | 96 | 18% | 0.175 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -57.8 | -53.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M353 L354 L359 R360 E361 | M353-G357 PolarHBondContact O-N 3.19Å; L354-G357 WeakPolarHBondContact O-CA 3.47Å; L354-G357 PolarHBondContact O-N 3.44Å; L354-G357 VanDerWaalsContact O-N 3.14Å; G357-L359 VanDerWaalsContact C-N 3.33Å; G357-L359 PolarHBondContact O-N 3.17Å; G357-R360 WeakPolarHBondContact O-CB 3.31Å; G357-R360 PolarHBondContact O-N 3.35Å; G357-R360 VanDerWaalsContact O-N 3.11Å; G357-E361 PolarHBondContact O-N 2.87Å |
| 358 | Q | 98.5 | Very high | 98.3 | Very high | 122 Ų | 122 | 97.5 Ų | 97.5 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.8 | -40.3 | 179.4 | -170.4 | 177.4 | 5.8 | 0 | 0 | 112.5 | L354 S355 R360 E361 N362 | L354-Q358 PolarHBondContact O-N 3.1Å; S355-Q358 PolarHBondContact O-N 2.98Å; Q358-R360 VanDerWaalsContact C-N 3.31Å; Q358-R360 PolarHBondContact O-N 3.29Å; Q358-E361 PolarHBondContact O-N 3.31Å; Q358-N362 PolarHBondContact O-N 2.94Å |
| 359 | L | 98.2 | Very high | 98.3 | Very high | 121 Ų | 121 | 99.1 Ų | 99.1 | 63% | 0.634 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.4 | -38 | 176.1 | -175.6 | 62.9 | 0 | 0 | 0 | 112 | S355 G357 N362 H363 | S355-L359 WeakPolarHBondContact O-CB 3.38Å; S355-L359 PolarHBondContact O-N 3.45Å; G357-L359 VanDerWaalsContact C-N 3.33Å; G357-L359 PolarHBondContact O-N 3.17Å; L359-N362 PolarHBondContact O-N 3.23Å; L359-H363 WeakPolarHBondContact O-CB 3.44Å; L359-H363 PolarHBondContact O-N 2.96Å |
| 360 | R | 98.4 | Very high | 98.3 | Very high | 143 Ų | 143 | 97.4 Ų | 97.4 | 54% | 0.54 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 174.4 | -74.5 | -175.7 | -64.8 | -174.7 | 2.1 | 111.5 | S356 G357 Q358 N362 H363 H364 | S356-R360 WeakPolarHBondContact O-CG 3.3Å; S356-R360 PolarHBondContact O-N 3.49Å; S356-R360 VanDerWaalsContact O-N 3.09Å; G357-R360 WeakPolarHBondContact O-CB 3.31Å; G357-R360 PolarHBondContact O-N 3.35Å; G357-R360 VanDerWaalsContact O-N 3.11Å; Q358-R360 VanDerWaalsContact C-N 3.31Å; Q358-R360 PolarHBondContact O-N 3.29Å; R360-N362 VanDerWaalsContact C-N 3.35Å; R360-N362 PolarHBondContact O-N 2.77Å; R360-H363 PolarHBondContact O-N 3.43Å; R360-H364 PolarHBondContact O-CD2 3.09Å; R360-H364 PolarHBondContact O-N 3.49Å |
| 361 | E | 98.4 | Very high | 98.3 | Very high | 136 Ų | 136 | 96.8 Ų | 96.8 | 64% | 0.636 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.4 | -45.4 | 176.2 | -70.8 | 175.4 | 174.9 | 0 | 0 | 111.5 | G357 Q358 H363 H364 L365 | G357-E361 PolarHBondContact O-N 2.87Å; Q358-E361 PolarHBondContact O-N 3.31Å; E361-H363 VanDerWaalsContact C-N 3.34Å; E361-H363 PolarHBondContact O-N 3Å; E361-H364 WeakPolarHBondContact O-CB 3.4Å; E361-H364 PolarHBondContact O-N 2.97Å; E361-L365 PolarHBondContact O-N 2.94Å |
| 362 | N | 98.4 | Very high | 98.3 | Very high | 88 Ų | 88 | 97.6 Ų | 97.6 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 175 | -71.7 | -15.1 | 0 | 0 | 0 | 112.3 | Q358 L359 R360 H364 L365 S366 | Q358-N362 PolarHBondContact O-N 2.94Å; L359-N362 PolarHBondContact O-N 3.23Å; R360-N362 VanDerWaalsContact C-N 3.35Å; R360-N362 PolarHBondContact O-N 2.77Å; N362-H364 VanDerWaalsContact C-N 3.35Å; N362-L365 PolarHBondContact O-N 3.4Å; N362-S366 WeakPolarHBondContact O-CB 3.44Å; N362-S366 PolarHBondContact O-N 3.37Å |
| 363 | H | 97.9 | Very high | 98.3 | Very high | 122 Ų | 122 | 97 Ų | 97 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.4 | -41.3 | 176 | 178.8 | -81.9 | 0 | 0 | 0 | 111.6 | L359 R360 E361 S366 N367 | L359-H363 WeakPolarHBondContact O-CB 3.44Å; L359-H363 PolarHBondContact O-N 2.96Å; R360-H363 PolarHBondContact O-N 3.43Å; E361-H363 VanDerWaalsContact C-N 3.34Å; E361-H363 PolarHBondContact O-N 3Å; H363-S366 PolarHBondContact O-N 2.91Å; H363-N367 WeakPolarHBondContact O-CB 3.36Å; H363-N367 PolarHBondContact O-N 3.5Å |
| 364 | H | 98.3 | Very high | 98.2 | Very high | 110 Ų | 110 | 98.1 Ų | 98.1 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.4 | -49.2 | 174.1 | -76.3 | -62.9 | 0 | 0 | 0 | 111.3 | R360 E361 N362 S366 N367 D368 | R360-H364 PolarHBondContact O-CD2 3.09Å; R360-H364 PolarHBondContact O-N 3.49Å; E361-H364 WeakPolarHBondContact O-CB 3.4Å; E361-H364 PolarHBondContact O-N 2.97Å; N362-H364 VanDerWaalsContact C-N 3.35Å; H364-S366 VanDerWaalsContact C-N 3.33Å; H364-S366 PolarHBondContact O-N 3.26Å; H364-N367 WeakPolarHBondContact O-CB 3.36Å; H364-N367 PolarHBondContact O-N 3.3Å; H364-N367 VanDerWaalsContact O-N 3.15Å; H364-D368 VanDerWaalsContact O-CG 3.29Å; H364-D368 PolarHBondContact O-N 3.25Å |
| 365 | L | 98.5 | Very high | 98.2 | Very high | 103 Ų | 103 | 95.7 Ų | 95.7 | 54% | 0.539 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 177.9 | -174.7 | 69.9 | 0 | 0 | 0 | 112.1 | E361 N362 N367 D368 Q369 | E361-L365 PolarHBondContact O-N 2.94Å; N362-L365 PolarHBondContact O-N 3.4Å; L365-N367 VanDerWaalsContact C-N 3.34Å; L365-N367 PolarHBondContact O-N 2.64Å; L365-D368 PolarHBondContact O-N 2.89Å; L365-Q369 WeakPolarHBondContact O-CG 3.3Å; L365-Q369 PolarHBondContact O-N 3.33Å |
| 366 | S | 97.8 | Very high | 98.2 | Very high | 57 Ų | 57 | 99 Ų | 99 | 40% | 0.399 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.4 | -39 | 177.4 | -179.4 | 0 | 0 | 0 | 0 | 112.1 | N362 H363 H364 Q369 L370 | N362-S366 WeakPolarHBondContact O-CB 3.44Å; N362-S366 PolarHBondContact O-N 3.37Å; H363-S366 PolarHBondContact O-N 2.91Å; H364-S366 VanDerWaalsContact C-N 3.33Å; H364-S366 PolarHBondContact O-N 3.26Å; S366-Q369 PolarHBondContact O-N 3.5Å; S366-L370 WeakPolarHBondContact O-CG 3.35Å; S366-L370 PolarHBondContact O-N 2.9Å |
| 367 | N | 98.4 | Very high | 98.3 | Very high | 63 Ų | 63 | 99.3 Ų | 99.3 | 34% | 0.337 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.7 | -41 | 175.7 | -168.7 | 14.7 | 0 | 0 | 0 | 111.6 | H363 H364 L365 Q369 L370 Q371 | H363-N367 WeakPolarHBondContact O-CB 3.36Å; H363-N367 PolarHBondContact O-N 3.5Å; H364-N367 WeakPolarHBondContact O-CB 3.36Å; H364-N367 PolarHBondContact O-N 3.3Å; H364-N367 VanDerWaalsContact O-N 3.15Å; L365-N367 VanDerWaalsContact C-N 3.34Å; L365-N367 PolarHBondContact O-N 2.64Å; N367-Q369 VanDerWaalsContact C-N 3.33Å; N367-Q369 PolarHBondContact O-N 3.36Å; N367-L370 PolarHBondContact O-N 3.4Å; N367-Q371 WeakPolarHBondContact O-CG 3.44Å; N367-Q371 PolarHBondContact O-N 2.85Å; N367-Q371 PolarHBondContact OD1-NE2 2.91Å |
| 368 | D | 98.4 | Very high | 98.3 | Very high | 81 Ų | 81 | 102.7 Ų | 102.7 | 43% | 0.433 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 176.3 | -66.3 | -13.9 | 0 | 0 | 0 | 111 | H364 L365 Q371 Q372 | H364-D368 VanDerWaalsContact O-CG 3.29Å; H364-D368 PolarHBondContact O-N 3.25Å; L365-D368 PolarHBondContact O-N 2.89Å; D368-Q371 PolarHBondContact O-N 3.44Å; D368-Q372 WeakPolarHBondContact O-CG 3.34Å; D368-Q372 PolarHBondContact O-N 2.92Å |
| 369 | Q | 98.4 | Very high | 98.3 | Very high | 101 Ų | 101 | 101.8 Ų | 101.8 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 173 | -71.5 | 173.8 | -19.2 | 0 | 0 | 112.2 | L365 S366 N367 Q371 Q372 L373 | L365-Q369 WeakPolarHBondContact O-CG 3.3Å; L365-Q369 PolarHBondContact O-N 3.33Å; S366-Q369 PolarHBondContact O-N 3.5Å; N367-Q369 VanDerWaalsContact C-N 3.33Å; N367-Q369 PolarHBondContact O-N 3.36Å; Q369-Q371 VanDerWaalsContact C-N 3.31Å; Q369-Q371 PolarHBondContact O-N 3.09Å; Q369-Q372 PolarHBondContact O-N 3.45Å; Q369-L373 WeakPolarHBondContact O-CG 3.4Å; Q369-L373 PolarHBondContact O-N 3.26Å |
| 370 | L | 98.2 | Very high | 98.2 | Very high | 106 Ų | 106 | 98.9 Ų | 98.9 | 56% | 0.555 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63 | -38.8 | 176.5 | -75 | 171.7 | 0 | 0 | 0 | 111.9 | S366 N367 L373 H374 | S366-L370 WeakPolarHBondContact O-CG 3.35Å; S366-L370 PolarHBondContact O-N 2.9Å; N367-L370 PolarHBondContact O-N 3.4Å; L370-L373 PolarHBondContact O-N 3.48Å; L370-H374 VanDerWaalsContact O-CB 3.32Å; L370-H374 WeakPolarHBondContact O-CB 3.45Å; L370-H374 PolarHBondContact O-N 3.34Å |
| 371 | Q | 98.1 | Very high | 98.2 | Very high | 107 Ų | 107 | 98.8 Ų | 98.8 | 50% | 0.5 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 175.5 | -72.8 | 175.5 | 17.4 | 0 | 0 | 111.8 | N367 D368 Q369 H374 T375 | N367-Q371 WeakPolarHBondContact O-CG 3.44Å; N367-Q371 PolarHBondContact O-N 2.85Å; N367-Q371 PolarHBondContact OD1-NE2 2.91Å; D368-Q371 PolarHBondContact O-N 3.44Å; Q369-Q371 VanDerWaalsContact C-N 3.31Å; Q369-Q371 PolarHBondContact O-N 3.09Å; Q371-H374 WeakPolarHBondContact O-CB 3.45Å; Q371-H374 PolarHBondContact O-N 3.03Å; Q371-T375 WeakPolarHBondContact O-CG2 3.25Å; Q371-T375 PolarHBondContact O-N 3.49Å; Q371-T375 PolarHBondContact O-OG1 2.89Å |
| 372 | Q | 98.3 | Very high | 98.2 | Very high | 130 Ų | 130 | 95.2 Ų | 95.2 | 61% | 0.607 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.5 | -47.7 | 174.2 | -72.4 | 174.4 | -9.6 | 0 | 0 | 111.8 | D368 Q369 H374 T375 E376 | D368-Q372 WeakPolarHBondContact O-CG 3.34Å; D368-Q372 PolarHBondContact O-N 2.92Å; Q369-Q372 PolarHBondContact O-N 3.45Å; Q372-H374 VanDerWaalsContact C-N 3.26Å; Q372-H374 PolarHBondContact O-N 3.35Å; Q372-T375 PolarHBondContact O-N 3.22Å; Q372-T375 PolarHBondContact O-OG1 3.37Å; Q372-E376 PolarHBondContact O-N 2.88Å |
| 373 | L | 98.3 | Very high | 98.1 | Very high | 98 Ų | 98 | 98.9 Ų | 98.9 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -36.7 | 175.6 | -69.8 | 173.7 | 0 | 0 | 0 | 111.6 | Q369 L370 E376 V377 | Q369-L373 WeakPolarHBondContact O-CG 3.4Å; Q369-L373 PolarHBondContact O-N 3.26Å; L370-L373 PolarHBondContact O-N 3.48Å; L373-E376 PolarHBondContact O-N 3.06Å; L373-V377 WeakPolarHBondContact O-CB 3.4Å; L373-V377 VanDerWaalsContact O-CG2 3.26Å; L373-V377 WeakPolarHBondContact O-CG2 3.45Å; L373-V377 PolarHBondContact O-N 3.24Å |
| 374 | H | 98 | Very high | 98.1 | Very high | 111 Ų | 111 | 97.4 Ų | 97.4 | 51% | 0.514 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 176.5 | -171.1 | 80 | 0 | 0 | 0 | 111.6 | L370 Q371 Q372 V377 Q378 | L370-H374 VanDerWaalsContact O-CB 3.32Å; L370-H374 WeakPolarHBondContact O-CB 3.45Å; L370-H374 PolarHBondContact O-N 3.34Å; Q371-H374 WeakPolarHBondContact O-CB 3.45Å; Q371-H374 PolarHBondContact O-N 3.03Å; Q372-H374 VanDerWaalsContact C-N 3.26Å; Q372-H374 PolarHBondContact O-N 3.35Å; H374-V377 PolarHBondContact O-N 3.46Å; H374-Q378 PolarHBondContact NE2-NE2 3.42Å; H374-Q378 VanDerWaalsContact O-CG 3.29Å; H374-Q378 WeakPolarHBondContact O-CG 3.27Å; H374-Q378 PolarHBondContact O-N 2.86Å |
| 375 | T | 98.3 | Very high | 98.1 | Very high | 82 Ų | 82 | 95.1 Ų | 95.1 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.7 | -38.9 | 178.4 | 58 | 0 | 0 | 0 | 0 | 111.8 | Q371 Q372 Q378 L379 | Q371-T375 WeakPolarHBondContact O-CG2 3.25Å; Q371-T375 PolarHBondContact O-N 3.49Å; Q371-T375 PolarHBondContact O-OG1 2.89Å; Q372-T375 PolarHBondContact O-N 3.22Å; Q372-T375 PolarHBondContact O-OG1 3.37Å; T375-Q378 PolarHBondContact O-N 2.69Å; T375-L379 WeakPolarHBondContact O-CG 3.4Å; T375-L379 PolarHBondContact O-N 2.86Å |
| 376 | E | 98.4 | Very high | 98.1 | Very high | 128 Ų | 128 | 96.2 Ų | 96.2 | 60% | 0.598 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.3 | -43.5 | 175.4 | -171.3 | 174.7 | -173.8 | 0 | 0 | 112.2 | Q372 L373 Q378 L379 S380 | Q372-E376 PolarHBondContact O-N 2.88Å; L373-E376 PolarHBondContact O-N 3.06Å; E376-Q378 VanDerWaalsContact C-N 3.32Å; E376-Q378 PolarHBondContact O-N 2.95Å; E376-L379 PolarHBondContact O-N 3.44Å; E376-S380 PolarHBondContact O-N 3.16Å |
| 377 | V | 98.3 | Very high | 98.1 | Very high | 60 Ų | 60 | 98.4 Ų | 98.4 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -36.1 | 175.2 | 169.8 | 0 | 0 | 0 | 0 | 111.8 | L373 H374 S380 R381 | L373-V377 WeakPolarHBondContact O-CB 3.4Å; L373-V377 VanDerWaalsContact O-CG2 3.26Å; L373-V377 WeakPolarHBondContact O-CG2 3.45Å; L373-V377 PolarHBondContact O-N 3.24Å; H374-V377 PolarHBondContact O-N 3.46Å; V377-S380 WeakPolarHBondContact CA-OG 3.45Å; V377-S380 PolarHBondContact O-OG 2.94Å; V377-R381 WeakPolarHBondContact O-CB 3.47Å; V377-R381 VanDerWaalsContact O-CG 3.26Å; V377-R381 WeakPolarHBondContact O-CG 3.08Å; V377-R381 PolarHBondContact O-N 3.4Å |
| 378 | Q | 98.2 | Very high | 98 | Very high | 88 Ų | 88 | 103 Ų | 103 | 41% | 0.411 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 174.9 | -68 | -66.5 | -8.5 | 0 | 0 | 111.7 | H374 T375 E376 R381 A382 | H374-Q378 PolarHBondContact NE2-NE2 3.42Å; H374-Q378 VanDerWaalsContact O-CG 3.29Å; H374-Q378 WeakPolarHBondContact O-CG 3.27Å; H374-Q378 PolarHBondContact O-N 2.86Å; T375-Q378 PolarHBondContact O-N 2.69Å; E376-Q378 VanDerWaalsContact C-N 3.32Å; E376-Q378 PolarHBondContact O-N 2.95Å; Q378-R381 PolarHBondContact O-N 3.34Å; Q378-A382 PolarHBondContact O-N 3.21Å |
| 379 | L | 98.3 | Very high | 98 | Very high | 102 Ų | 102 | 100.8 Ų | 100.8 | 53% | 0.534 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 175.9 | -70.7 | 173.1 | 0 | 0 | 0 | 111.9 | T375 E376 A382 R383 | T375-L379 WeakPolarHBondContact O-CG 3.4Å; T375-L379 PolarHBondContact O-N 2.86Å; E376-L379 PolarHBondContact O-N 3.44Å; L379-A382 PolarHBondContact O-N 3.38Å; L379-R383 WeakPolarHBondContact O-CG 3.25Å; L379-R383 PolarHBondContact O-N 3.17Å; L379-R383 VanDerWaalsContact O-N 3.09Å |
| 380 | S | 96.9 | Very high | 98 | Very high | 60 Ų | 60 | 100.6 Ų | 100.6 | 42% | 0.42 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 176.9 | 69.5 | 0 | 0 | 0 | 0 | 111.9 | E376 V377 A382 R383 E384 | E376-S380 PolarHBondContact O-N 3.16Å; V377-S380 WeakPolarHBondContact CA-OG 3.45Å; V377-S380 PolarHBondContact O-OG 2.94Å; S380-A382 PolarHBondContact O-N 2.93Å; S380-R383 PolarHBondContact O-N 3.03Å; S380-E384 WeakPolarHBondContact O-CB 3.19Å; S380-E384 PolarHBondContact O-N 2.94Å |
| 381 | R | 98.1 | Very high | 98 | Very high | 142 Ų | 142 | 99.2 Ų | 99.2 | 54% | 0.536 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -40.9 | 173.8 | -75.9 | 174.5 | 179.6 | 175.3 | 0.8 | 113 | V377 Q378 E384 A385 | V377-R381 WeakPolarHBondContact O-CB 3.47Å; V377-R381 VanDerWaalsContact O-CG 3.26Å; V377-R381 WeakPolarHBondContact O-CG 3.08Å; V377-R381 PolarHBondContact O-N 3.4Å; Q378-R381 PolarHBondContact O-N 3.34Å; R381-E384 PolarHBondContact O-N 3.46Å; R381-A385 WeakPolarHBondContact O-CB 3.37Å; R381-A385 PolarHBondContact O-N 3.46Å |
| 382 | A | 97.9 | Very high | 98 | Very high | 60 Ų | 60 | 97.7 Ų | 97.7 | 50% | 0.496 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q378 L379 S380 E384 A385 E386 | Q378-A382 PolarHBondContact O-N 3.21Å; L379-A382 PolarHBondContact O-N 3.38Å; S380-A382 PolarHBondContact O-N 2.93Å; A382-E384 VanDerWaalsContact C-N 3.34Å; A382-E384 PolarHBondContact O-N 3.49Å; A382-A385 PolarHBondContact O-N 3.32Å; A382-E386 PolarHBondContact O-N 2.95Å |
| 383 | R | 98.2 | Very high | 97.9 | Very high | 165 Ų | 165 | 93.7 Ų | 93.7 | 62% | 0.623 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.2 | -41 | 174.8 | -68.5 | 172.3 | -175.4 | 171 | 2.6 | 112.1 | L379 S380 A385 E386 L387 | L379-R383 WeakPolarHBondContact O-CG 3.25Å; L379-R383 PolarHBondContact O-N 3.17Å; L379-R383 VanDerWaalsContact O-N 3.09Å; S380-R383 PolarHBondContact O-N 3.03Å; R383-A385 VanDerWaalsContact C-N 3.32Å; R383-A385 PolarHBondContact O-N 2.91Å; R383-E386 PolarHBondContact O-N 3.4Å; R383-L387 WeakPolarHBondContact O-CG 3.38Å; R383-L387 PolarHBondContact O-N 3.08Å |
| 384 | E | 97.4 | Very high | 97.9 | Very high | 92 Ų | 92 | 93.9 Ų | 93.9 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | 176.6 | -166.8 | -170.1 | 157.9 | 0 | 0 | 111.5 | S380 R381 A382 R388 | S380-E384 WeakPolarHBondContact O-CB 3.19Å; S380-E384 PolarHBondContact O-N 2.94Å; R381-E384 PolarHBondContact O-N 3.46Å; A382-E384 VanDerWaalsContact C-N 3.34Å; A382-E384 PolarHBondContact O-N 3.49Å; E384-R388 WeakPolarHBondContact O-CB 3.46Å; E384-R388 WeakPolarHBondContact O-CG 3.34Å; E384-R388 PolarHBondContact O-N 3.27Å; E384-R388 IonicContact OE1-CZ 2.79Å; E384-R388 IonicContact OE1-NE 2.78Å; E384-R388 PolarHBondContact OE1-NE 2.9Å; E384-R388 IonicContact OE1-NH2 3.2Å; E384-R388 PolarHBondContact OE1-NH2 3.35Å |
| 385 | A | 97.5 | Very high | 97.9 | Very high | 62 Ų | 62 | 95.5 Ų | 95.5 | 51% | 0.512 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | R381 A382 R383 R388 G389 | R381-A385 WeakPolarHBondContact O-CB 3.37Å; R381-A385 PolarHBondContact O-N 3.46Å; A382-A385 PolarHBondContact O-N 3.32Å; R383-A385 VanDerWaalsContact C-N 3.32Å; R383-A385 PolarHBondContact O-N 2.91Å; A385-R388 PolarHBondContact O-N 2.97Å; A385-G389 PolarHBondContact O-N 2.81Å |
| 386 | E | 98 | Very high | 97.9 | Very high | 126 Ų | 126 | 96.9 Ų | 96.9 | 59% | 0.589 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.1 | -52.4 | 174.7 | -175.8 | 174.6 | -159.7 | 0 | 0 | 111.3 | A382 R383 R388 G389 E390 | A382-E386 PolarHBondContact O-N 2.95Å; R383-E386 PolarHBondContact O-N 3.4Å; E386-R388 VanDerWaalsContact C-N 3.31Å; E386-R388 PolarHBondContact O-N 3.28Å; E386-G389 WeakPolarHBondContact O-CA 3.45Å; E386-G389 PolarHBondContact O-N 2.92Å; E386-E390 PolarHBondContact O-N 3.48Å |
| 387 | L | 97.7 | Very high | 97.8 | Very high | 103 Ų | 103 | 95.8 Ų | 95.8 | 54% | 0.539 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.1 | -39.4 | 176.6 | -69.9 | 173.4 | 0 | 0 | 0 | 112.3 | R383 G389 E390 V391 | R383-L387 WeakPolarHBondContact O-CG 3.38Å; R383-L387 PolarHBondContact O-N 3.08Å; L387-G389 VanDerWaalsContact C-N 3.29Å; L387-G389 PolarHBondContact O-N 3.29Å; L387-E390 PolarHBondContact O-N 3.08Å; L387-V391 VanDerWaalsContact O-CG2 3.29Å; L387-V391 WeakPolarHBondContact O-CG2 3.42Å; L387-V391 PolarHBondContact O-N 3Å |
| 388 | R | 98.1 | Very high | 97.8 | Very high | 159 Ų | 159 | 99 Ų | 99 | 60% | 0.6 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62 | -38.8 | 174 | -76.6 | 172.7 | -178 | -78.2 | 1.2 | 111.3 | E384 A385 E386 V391 T392 | E384-R388 WeakPolarHBondContact O-CB 3.46Å; E384-R388 WeakPolarHBondContact O-CG 3.34Å; E384-R388 PolarHBondContact O-N 3.27Å; E384-R388 IonicContact OE1-CZ 2.79Å; E384-R388 IonicContact OE1-NE 2.78Å; E384-R388 PolarHBondContact OE1-NE 2.9Å; E384-R388 IonicContact OE1-NH2 3.2Å; E384-R388 PolarHBondContact OE1-NH2 3.35Å; A385-R388 PolarHBondContact O-N 2.97Å; E386-R388 VanDerWaalsContact C-N 3.31Å; E386-R388 PolarHBondContact O-N 3.28Å; R388-V391 PolarHBondContact O-N 2.92Å; R388-T392 WeakPolarHBondContact O-CG2 3.45Å; R388-T392 PolarHBondContact O-N 3.4Å; R388-T392 PolarHBondContact O-OG1 3.4Å |
| 389 | G | 97.9 | Very high | 97.7 | Very high | 34 Ų | 34 | 100.2 Ų | 100.2 | 35% | 0.351 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.6 | -49.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A385 E386 L387 V391 T392 S393 | A385-G389 PolarHBondContact O-N 2.81Å; E386-G389 WeakPolarHBondContact O-CA 3.45Å; E386-G389 PolarHBondContact O-N 2.92Å; L387-G389 VanDerWaalsContact C-N 3.29Å; L387-G389 PolarHBondContact O-N 3.29Å; G389-V391 VanDerWaalsContact C-N 3.33Å; G389-V391 PolarHBondContact O-N 2.98Å; G389-T392 WeakPolarHBondContact CA-OG1 3.41Å; G389-T392 PolarHBondContact O-N 2.82Å; G389-T392 VanDerWaalsContact O-N 3.07Å; G389-T392 PolarHBondContact O-OG1 2.92Å; G389-S393 PolarHBondContact O-N 3.46Å |
| 390 | E | 97.9 | Very high | 97.7 | Very high | 98 Ų | 98 | 101.3 Ų | 101.3 | 46% | 0.458 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 175.9 | -66.7 | 179.2 | 173.2 | 0 | 0 | 112.3 | E386 L387 T392 S393 L394 | E386-E390 PolarHBondContact O-N 3.48Å; L387-E390 PolarHBondContact O-N 3.08Å; E390-T392 VanDerWaalsContact C-N 3.26Å; E390-T392 PolarHBondContact O-N 3.5Å; E390-S393 PolarHBondContact O-N 2.89Å; E390-S393 PolarHBondContact O-OG 3.48Å; E390-L394 WeakPolarHBondContact O-CB 3.41Å; E390-L394 VanDerWaalsContact O-CG 3.31Å; E390-L394 WeakPolarHBondContact O-CG 3.47Å; E390-L394 PolarHBondContact O-N 2.9Å |
| 391 | V | 97.8 | Very high | 97.7 | Very high | 77 Ų | 77 | 103.7 Ų | 103.7 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.9 | -36.1 | 176.1 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | L387 R388 G389 R395 | L387-V391 VanDerWaalsContact O-CG2 3.29Å; L387-V391 WeakPolarHBondContact O-CG2 3.42Å; L387-V391 PolarHBondContact O-N 3Å; R388-V391 PolarHBondContact O-N 2.92Å; G389-V391 VanDerWaalsContact C-N 3.33Å; G389-V391 PolarHBondContact O-N 2.98Å; V391-R395 VanDerWaalsContact O-CB 3.29Å; V391-R395 WeakPolarHBondContact O-CB 3.43Å; V391-R395 PolarHBondContact O-N 3.38Å; V391-R395 VanDerWaalsContact O-N 3.08Å |
| 392 | T | 97.9 | Very high | 97.7 | Very high | 74 Ų | 74 | 101.6 Ų | 101.6 | 45% | 0.454 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.6 | -40.9 | 175.2 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | R388 G389 E390 R395 Q396 | R388-T392 WeakPolarHBondContact O-CG2 3.45Å; R388-T392 PolarHBondContact O-N 3.4Å; R388-T392 PolarHBondContact O-OG1 3.4Å; G389-T392 WeakPolarHBondContact CA-OG1 3.41Å; G389-T392 PolarHBondContact O-N 2.82Å; G389-T392 VanDerWaalsContact O-N 3.07Å; G389-T392 PolarHBondContact O-OG1 2.92Å; E390-T392 VanDerWaalsContact C-N 3.26Å; E390-T392 PolarHBondContact O-N 3.5Å; T392-R395 PolarHBondContact O-N 3.21Å; T392-Q396 WeakPolarHBondContact O-CG 3.4Å; T392-Q396 PolarHBondContact O-N 3.49Å |
| 393 | S | 97.6 | Very high | 97.7 | Very high | 46 Ų | 46 | 106.3 Ų | 106.3 | 32% | 0.322 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.9 | -45.5 | 177.4 | 64.1 | 0 | 0 | 0 | 0 | 111.6 | G389 E390 R395 Q396 E397 | G389-S393 PolarHBondContact O-N 3.46Å; E390-S393 PolarHBondContact O-N 2.89Å; E390-S393 PolarHBondContact O-OG 3.48Å; S393-R395 PolarHBondContact O-N 3.11Å; S393-Q396 WeakPolarHBondContact O-CA 3.29Å; S393-Q396 WeakPolarHBondContact O-CB 3.48Å; S393-Q396 PolarHBondContact O-N 3.23Å; S393-E397 PolarHBondContact O-N 3.33Å |
| 394 | L | 97.7 | Very high | 97.6 | Very high | 102 Ų | 102 | 102.1 Ų | 102.1 | 53% | 0.534 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.3 | -35.5 | 175 | -71.7 | 173.4 | 0 | 0 | 0 | 112.2 | E390 K398 | E390-L394 WeakPolarHBondContact O-CB 3.41Å; E390-L394 VanDerWaalsContact O-CG 3.31Å; E390-L394 WeakPolarHBondContact O-CG 3.47Å; E390-L394 PolarHBondContact O-N 2.9Å; L394-K398 VanDerWaalsContact O-CB 3.31Å; L394-K398 WeakPolarHBondContact O-CB 3.33Å; L394-K398 PolarHBondContact O-N 2.87Å |
| 395 | R | 97.6 | Very high | 97.6 | Very high | 145 Ų | 145 | 102.1 Ų | 102.1 | 55% | 0.547 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.6 | -38.1 | 174.3 | -177.7 | 178 | -80 | 118.8 | -5.6 | 111.6 | V391 T392 S393 Q399 | V391-R395 VanDerWaalsContact O-CB 3.29Å; V391-R395 WeakPolarHBondContact O-CB 3.43Å; V391-R395 PolarHBondContact O-N 3.38Å; V391-R395 VanDerWaalsContact O-N 3.08Å; T392-R395 PolarHBondContact O-N 3.21Å; S393-R395 PolarHBondContact O-N 3.11Å; R395-Q399 WeakPolarHBondContact O-CG 3.45Å; R395-Q399 PolarHBondContact O-N 2.94Å; R395-Q399 VanDerWaalsContact O-N 3.13Å |
| 396 | Q | 97.8 | Very high | 97.6 | Very high | 112 Ų | 112 | 102.1 Ų | 102.1 | 52% | 0.523 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67 | -49.5 | 175.5 | -71.6 | 170.3 | -15.7 | 0 | 0 | 111.2 | T392 S393 K398 Q399 E400 | T392-Q396 WeakPolarHBondContact O-CG 3.4Å; T392-Q396 PolarHBondContact O-N 3.49Å; S393-Q396 WeakPolarHBondContact O-CA 3.29Å; S393-Q396 WeakPolarHBondContact O-CB 3.48Å; S393-Q396 PolarHBondContact O-N 3.23Å; Q396-K398 VanDerWaalsContact C-N 3.27Å; Q396-K398 PolarHBondContact O-N 2.92Å; Q396-Q399 WeakPolarHBondContact O-CA 3.4Å; Q396-Q399 WeakPolarHBondContact O-CB 3.49Å; Q396-Q399 PolarHBondContact O-N 3.44Å; Q396-E400 PolarHBondContact O-N 3.34Å |
| 397 | E | 97.4 | Very high | 97.6 | Very high | 104 Ų | 104 | 99.6 Ų | 99.6 | 49% | 0.486 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -56.3 | -42.3 | 175.7 | -71 | 175.7 | -171.3 | 0 | 0 | 111.5 | S393 Q399 E400 L401 | S393-E397 PolarHBondContact O-N 3.33Å; E397-Q399 VanDerWaalsContact C-N 3.33Å; E397-Q399 PolarHBondContact O-N 3.02Å; E397-E400 PolarHBondContact O-N 3.42Å; E397-L401 WeakPolarHBondContact O-CB 3.47Å; E397-L401 VanDerWaalsContact O-CG 3.3Å; E397-L401 WeakPolarHBondContact O-CG 3.38Å; E397-L401 PolarHBondContact O-N 3.48Å |
| 398 | K | 97.2 | Very high | 97.5 | Very high | 127 Ų | 127 | 99.5 Ų | 99.5 | 55% | 0.552 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.7 | -44 | 173.8 | 179.2 | -178 | 174.3 | 179.7 | 0 | 111.8 | L394 Q396 Q402 | L394-K398 VanDerWaalsContact O-CB 3.31Å; L394-K398 WeakPolarHBondContact O-CB 3.33Å; L394-K398 PolarHBondContact O-N 2.87Å; Q396-K398 VanDerWaalsContact C-N 3.27Å; Q396-K398 PolarHBondContact O-N 2.92Å; K398-Q402 WeakPolarHBondContact O-CB 3.31Å; K398-Q402 VanDerWaalsContact O-CG 3.23Å; K398-Q402 WeakPolarHBondContact O-CG 3.3Å; K398-Q402 PolarHBondContact O-N 3.2Å |
| 399 | Q | 97.5 | Very high | 97.4 | Very high | 115 Ų | 115 | 97.2 Ų | 97.2 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 178.7 | -74.5 | 173.9 | -17.4 | 0 | 0 | 111.7 | R395 Q396 E397 Q402 Y403 | R395-Q399 WeakPolarHBondContact O-CG 3.45Å; R395-Q399 PolarHBondContact O-N 2.94Å; R395-Q399 VanDerWaalsContact O-N 3.13Å; Q396-Q399 WeakPolarHBondContact O-CA 3.4Å; Q396-Q399 WeakPolarHBondContact O-CB 3.49Å; Q396-Q399 PolarHBondContact O-N 3.44Å; E397-Q399 VanDerWaalsContact C-N 3.33Å; E397-Q399 PolarHBondContact O-N 3.02Å; Q399-Q402 WeakPolarHBondContact O-CB 3.49Å; Q399-Q402 PolarHBondContact O-N 2.96Å; Q399-Y403 PolarHBondContact O-N 3.45Å |
| 400 | E | 97.8 | Very high | 97.3 | Very high | 124 Ų | 124 | 101.9 Ų | 101.9 | 58% | 0.579 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.4 | -45.2 | 175.6 | -70.3 | 176.4 | -175.7 | 0 | 0 | 111.8 | Q396 E397 Q402 Y403 N404 | Q396-E400 PolarHBondContact O-N 3.34Å; E397-E400 PolarHBondContact O-N 3.42Å; E400-Q402 VanDerWaalsContact C-N 3.32Å; E400-Q402 PolarHBondContact O-N 3.06Å; E400-Y403 WeakPolarHBondContact O-CB 3.4Å; E400-Y403 PolarHBondContact O-N 2.68Å; E400-N404 VanDerWaalsContact O-CG 3.29Å; E400-N404 PolarHBondContact O-N 3.22Å; E400-N404 PolarHBondContact O-ND2 3.29Å |
| 401 | L | 97.2 | Very high | 97.2 | Very high | 110 Ų | 110 | 101.3 Ų | 101.3 | 58% | 0.576 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.8 | -40.7 | 174.7 | -71.4 | 174.2 | 0 | 0 | 0 | 111.7 | E397 N404 I405 | E397-L401 WeakPolarHBondContact O-CB 3.47Å; E397-L401 VanDerWaalsContact O-CG 3.3Å; E397-L401 WeakPolarHBondContact O-CG 3.38Å; E397-L401 PolarHBondContact O-N 3.48Å; L401-N404 PolarHBondContact O-N 2.9Å; L401-I405 VanDerWaalsContact O-CG1 3.29Å; L401-I405 WeakPolarHBondContact O-CG1 3.31Å; L401-I405 PolarHBondContact O-N 3.15Å |
| 402 | Q | 97.3 | Very high | 97 | Very high | 98 Ų | 98 | 101.2 Ų | 101.2 | 46% | 0.458 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 174.4 | -77.8 | 178 | -28.3 | 0 | 0 | 111.9 | K398 Q399 E400 I405 C406 | K398-Q402 WeakPolarHBondContact O-CB 3.31Å; K398-Q402 VanDerWaalsContact O-CG 3.23Å; K398-Q402 WeakPolarHBondContact O-CG 3.3Å; K398-Q402 PolarHBondContact O-N 3.2Å; Q399-Q402 WeakPolarHBondContact O-CB 3.49Å; Q399-Q402 PolarHBondContact O-N 2.96Å; E400-Q402 VanDerWaalsContact C-N 3.32Å; E400-Q402 PolarHBondContact O-N 3.06Å; Q402-I405 PolarHBondContact O-N 2.89Å; Q402-C406 PolarHBondContact O-N 3.1Å; Q402-C406 VanDerWaalsContact O-N 3.12Å; Q402-C406 PolarHBondContact O-SG 2.92Å |
| 403 | Y | 97.6 | Very high | 96.9 | Very high | 160 Ų | 160 | 101.9 Ų | 101.9 | 63% | 0.627 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.2 | -45 | 175 | 175.9 | -95.8 | 0 | 0 | 0 | 111.9 | Q399 E400 I405 C406 L407 | Q399-Y403 PolarHBondContact O-N 3.45Å; E400-Y403 WeakPolarHBondContact O-CB 3.4Å; E400-Y403 PolarHBondContact O-N 2.68Å; Y403-I405 VanDerWaalsContact C-N 3.34Å; Y403-I405 PolarHBondContact O-N 2.92Å; Y403-C406 PolarHBondContact O-N 2.9Å; Y403-L407 PolarHBondContact O-N 3.16Å; Y403-L407 VanDerWaalsContact O-N 3.08Å |
| 404 | N | 97.8 | Very high | 96.7 | Very high | 77 Ų | 77 | 102.4 Ų | 102.4 | 41% | 0.412 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 177.5 | -69 | -28.5 | 0 | 0 | 0 | 112.5 | E400 L401 L407 L408 | E400-N404 VanDerWaalsContact O-CG 3.29Å; E400-N404 PolarHBondContact O-N 3.22Å; E400-N404 PolarHBondContact O-ND2 3.29Å; L401-N404 PolarHBondContact O-N 2.9Å; N404-L407 PolarHBondContact O-N 3.34Å; N404-L408 WeakPolarHBondContact O-CB 3.42Å; N404-L408 WeakPolarHBondContact O-CG 3.33Å; N404-L408 PolarHBondContact O-N 2.9Å |
| 405 | I | 97.4 | Very high | 96.5 | Very high | 91 Ų | 91 | 102 Ų | 102 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.7 | -48.2 | 174.5 | -71.2 | 165 | 0 | 0 | 0 | 110 | L401 Q402 Y403 L407 L408 E409 | L401-I405 VanDerWaalsContact O-CG1 3.29Å; L401-I405 WeakPolarHBondContact O-CG1 3.31Å; L401-I405 PolarHBondContact O-N 3.15Å; Q402-I405 PolarHBondContact O-N 2.89Å; Y403-I405 VanDerWaalsContact C-N 3.34Å; Y403-I405 PolarHBondContact O-N 2.92Å; I405-L407 VanDerWaalsContact C-N 3.34Å; I405-L407 PolarHBondContact O-N 3.46Å; I405-L408 PolarHBondContact O-N 3.34Å; I405-E409 HydrophobicContact CG2-CG 4.22Å; I405-E409 WeakPolarHBondContact CG2-OE1 3.47Å; I405-E409 WeakPolarHBondContact O-CB 3.44Å; I405-E409 VanDerWaalsContact O-CG 3.3Å; I405-E409 WeakPolarHBondContact O-CG 3.48Å; I405-E409 PolarHBondContact O-N 3.38Å |
| 406 | C | 97.4 | Very high | 96.3 | Very high | 63 Ų | 63 | 101.1 Ų | 101.1 | 43% | 0.426 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.1 | -44.1 | 178.8 | -67.2 | 0 | 0 | 0 | 0 | 112.2 | Q402 Y403 L408 E409 E410 | Q402-C406 PolarHBondContact O-N 3.1Å; Q402-C406 VanDerWaalsContact O-N 3.12Å; Q402-C406 PolarHBondContact O-SG 2.92Å; Y403-C406 PolarHBondContact O-N 2.9Å; C406-L408 PolarHBondContact O-N 3.39Å; C406-E409 WeakPolarHBondContact O-CB 3.48Å; C406-E409 PolarHBondContact O-N 2.94Å; C406-E410 WeakPolarHBondContact O-CG 3.47Å; C406-E410 PolarHBondContact O-N 3.45Å |
| 407 | L | 97.2 | Very high | 95.9 | Very high | 72 Ų | 72 | 99.7 Ų | 99.7 | 38% | 0.377 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 177.3 | -175.4 | 67.3 | 0 | 0 | 0 | 111.9 | Y403 N404 I405 E409 E410 D411 | Y403-L407 PolarHBondContact O-N 3.16Å; Y403-L407 VanDerWaalsContact O-N 3.08Å; N404-L407 PolarHBondContact O-N 3.34Å; I405-L407 VanDerWaalsContact C-N 3.34Å; I405-L407 PolarHBondContact O-N 3.46Å; L407-E409 VanDerWaalsContact C-N 3.31Å; L407-E409 PolarHBondContact O-N 2.98Å; L407-E410 WeakPolarHBondContact O-CB 3.37Å; L407-E410 PolarHBondContact O-N 3.12Å; L407-D411 PolarHBondContact O-N 3Å |
| 408 | L | 96.1 | Very high | 95.6 | Very high | 101 Ų | 101 | 100.1 Ų | 100.1 | 53% | 0.529 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.6 | -34.7 | 176.5 | -72.2 | 172.9 | 0 | 0 | 0 | 112.2 | N404 I405 C406 N412 | N404-L408 WeakPolarHBondContact O-CB 3.42Å; N404-L408 WeakPolarHBondContact O-CG 3.33Å; N404-L408 PolarHBondContact O-N 2.9Å; I405-L408 PolarHBondContact O-N 3.34Å; C406-L408 PolarHBondContact O-N 3.39Å; L408-N412 VanDerWaalsContact O-CB 3.27Å; L408-N412 WeakPolarHBondContact O-CB 3.44Å; L408-N412 PolarHBondContact O-N 3.28Å; L408-N412 PolarHBondContact O-ND2 3.32Å |
| 409 | E | 96.1 | Very high | 95.1 | Very high | 112 Ų | 112 | 98.7 Ų | 98.7 | 52% | 0.523 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 174.2 | -76 | 172.4 | 168.3 | 0 | 0 | 111.3 | I405 C406 L407 Q413 | I405-E409 HydrophobicContact CG2-CG 4.22Å; I405-E409 WeakPolarHBondContact CG2-OE1 3.47Å; I405-E409 WeakPolarHBondContact O-CB 3.44Å; I405-E409 VanDerWaalsContact O-CG 3.3Å; I405-E409 WeakPolarHBondContact O-CG 3.48Å; I405-E409 PolarHBondContact O-N 3.38Å; C406-E409 WeakPolarHBondContact O-CB 3.48Å; C406-E409 PolarHBondContact O-N 2.94Å; L407-E409 VanDerWaalsContact C-N 3.31Å; L407-E409 PolarHBondContact O-N 2.98Å; E409-Q413 WeakPolarHBondContact O-CB 3.39Å; E409-Q413 PolarHBondContact O-N 3.06Å |
| 410 | E | 95.8 | Very high | 94.5 | Very high | 131 Ų | 131 | 97.5 Ų | 97.5 | 61% | 0.612 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62 | -50 | 173.9 | -71.5 | 173.3 | -175.8 | 0 | 0 | 111.7 | C406 L407 N412 Q413 A414 | C406-E410 WeakPolarHBondContact O-CG 3.47Å; C406-E410 PolarHBondContact O-N 3.45Å; L407-E410 WeakPolarHBondContact O-CB 3.37Å; L407-E410 PolarHBondContact O-N 3.12Å; E410-N412 PolarHBondContact O-N 2.89Å; E410-Q413 WeakPolarHBondContact O-CB 3.34Å; E410-Q413 PolarHBondContact O-N 3.42Å; E410-Q413 VanDerWaalsContact O-N 3.09Å; E410-A414 PolarHBondContact O-N 3.16Å |
| 411 | D | 95.4 | Very high | 93.8 | Very high | 86 Ų | 86 | 97 Ų | 97 | 46% | 0.46 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 177.2 | -76.3 | -18.6 | 0 | 0 | 0 | 111.6 | L407 Q413 A414 L415 | L407-D411 PolarHBondContact O-N 3Å; D411-Q413 VanDerWaalsContact C-N 3.26Å; D411-Q413 PolarHBondContact O-N 2.93Å; D411-A414 PolarHBondContact O-N 3.19Å; D411-L415 WeakPolarHBondContact O-CG 3.4Å; D411-L415 PolarHBondContact O-N 3.47Å |
| 412 | N | 94.2 | Very high | 93 | Very high | 76 Ų | 76 | 97.8 Ų | 97.8 | 41% | 0.406 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63 | -34.8 | 175.9 | -86.4 | -71.2 | 0 | 0 | 0 | 112.1 | L408 E410 R416 | L408-N412 VanDerWaalsContact O-CB 3.27Å; L408-N412 WeakPolarHBondContact O-CB 3.44Å; L408-N412 PolarHBondContact O-N 3.28Å; L408-N412 PolarHBondContact O-ND2 3.32Å; E410-N412 PolarHBondContact O-N 2.89Å; N412-R416 WeakPolarHBondContact O-CG 3.15Å; N412-R416 PolarHBondContact O-N 3.2Å |
| 413 | Q | 94.7 | Very high | 92 | Very high | 88 Ų | 88 | 100.6 Ų | 100.6 | 41% | 0.411 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.3 | -44.6 | 176.3 | -169.2 | 59.2 | 27.2 | 0 | 0 | 111.1 | E409 E410 D411 L415 R416 D417 | E409-Q413 WeakPolarHBondContact O-CB 3.39Å; E409-Q413 PolarHBondContact O-N 3.06Å; E410-Q413 WeakPolarHBondContact O-CB 3.34Å; E410-Q413 PolarHBondContact O-N 3.42Å; E410-Q413 VanDerWaalsContact O-N 3.09Å; D411-Q413 VanDerWaalsContact C-N 3.26Å; D411-Q413 PolarHBondContact O-N 2.93Å; Q413-L415 VanDerWaalsContact C-N 3.31Å; Q413-L415 PolarHBondContact O-N 2.86Å; Q413-R416 WeakPolarHBondContact O-CB 3.43Å; Q413-R416 PolarHBondContact O-N 3.42Å; Q413-R416 VanDerWaalsContact O-N 3.12Å; Q413-D417 PolarHBondContact NE2-OD1 3Å; Q413-D417 VanDerWaalsContact O-CG 3.27Å; Q413-D417 PolarHBondContact O-N 2.95Å |
| 414 | A | 93.8 | Very high | 90.5 | Very high | 57 Ų | 57 | 98 Ų | 98 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.4 | -42.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E410 D411 D417 E418 | E410-A414 PolarHBondContact O-N 3.16Å; D411-A414 PolarHBondContact O-N 3.19Å; A414-D417 PolarHBondContact O-N 3.3Å; A414-E418 WeakPolarHBondContact O-CB 3.35Å; A414-E418 PolarHBondContact O-N 2.71Å |
| 415 | L | 93.1 | Very high | 88.7 | Confident | 93 Ų | 93 | 97.9 Ų | 97.9 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64 | -39.7 | 174.6 | -72.6 | 172.4 | 0 | 0 | 0 | 112.5 | D411 Q413 D417 E418 I419 | D411-L415 WeakPolarHBondContact O-CG 3.4Å; D411-L415 PolarHBondContact O-N 3.47Å; Q413-L415 VanDerWaalsContact C-N 3.31Å; Q413-L415 PolarHBondContact O-N 2.86Å; L415-D417 VanDerWaalsContact C-N 3.33Å; L415-E418 PolarHBondContact O-N 3.47Å; L415-I419 VanDerWaalsContact O-CG1 3.28Å; L415-I419 WeakPolarHBondContact O-CG1 3.45Å; L415-I419 PolarHBondContact O-N 3.34Å |
| 416 | R | 92.9 | Very high | 86.7 | Confident | 126 Ų | 126 | 96.2 Ų | 96.2 | 48% | 0.475 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 174.2 | -81.6 | -175.1 | -80.8 | -87.8 | 2.9 | 111.2 | N412 Q413 E418 I419 Q420 | N412-R416 WeakPolarHBondContact O-CG 3.15Å; N412-R416 PolarHBondContact O-N 3.2Å; Q413-R416 WeakPolarHBondContact O-CB 3.43Å; Q413-R416 PolarHBondContact O-N 3.42Å; Q413-R416 VanDerWaalsContact O-N 3.12Å; R416-E418 VanDerWaalsContact C-N 3.35Å; R416-I419 PolarHBondContact O-N 2.86Å; R416-Q420 WeakPolarHBondContact O-CB 3.41Å; R416-Q420 PolarHBondContact O-N 3.33Å |
| 417 | D | 91.3 | Very high | 84.1 | Confident | 82 Ų | 82 | 98.3 Ų | 98.3 | 44% | 0.439 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66 | -38.1 | 177.9 | -63.5 | -17.6 | 0 | 0 | 0 | 111.1 | Q413 A414 L415 Q420 N421 | Q413-D417 PolarHBondContact NE2-OD1 3Å; Q413-D417 VanDerWaalsContact O-CG 3.27Å; Q413-D417 PolarHBondContact O-N 2.95Å; A414-D417 PolarHBondContact O-N 3.3Å; L415-D417 VanDerWaalsContact C-N 3.33Å; D417-Q420 PolarHBondContact O-N 2.88Å; D417-N421 WeakPolarHBondContact O-CB 3.38Å; D417-N421 PolarHBondContact O-N 3.11Å; D417-N421 PolarHBondContact O-ND2 2.92Å; D417-N421 VanDerWaalsContact O-ND2 3.12Å |
| 418 | E | 89.7 | Confident | 81.6 | Confident | 113 Ų | 113 | 104.7 Ų | 104.7 | 53% | 0.528 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.6 | -45.8 | 173.6 | -171.3 | 175.9 | -168.4 | 0 | 0 | 112.2 | A414 L415 R416 Q420 N421 L422 | A414-E418 WeakPolarHBondContact O-CB 3.35Å; A414-E418 PolarHBondContact O-N 2.71Å; L415-E418 PolarHBondContact O-N 3.47Å; R416-E418 VanDerWaalsContact C-N 3.35Å; E418-Q420 VanDerWaalsContact C-N 3.29Å; E418-Q420 PolarHBondContact O-N 3.03Å; E418-N421 PolarHBondContact O-N 3.09Å; E418-L422 HydrophobicContact CG-CD1 4.37Å; E418-L422 WeakPolarHBondContact O-CB 3.28Å; E418-L422 VanDerWaalsContact O-CG 3.31Å; E418-L422 WeakPolarHBondContact O-CG 3.5Å; E418-L422 PolarHBondContact O-N 3.39Å |
| 419 | I | 86.6 | Confident | 79.1 | Confident | 98 Ų | 98 | 103 Ų | 103 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.1 | -41.4 | 174.2 | -69.5 | 166.6 | 0 | 0 | 0 | 110.8 | L415 R416 L422 R423 | L415-I419 VanDerWaalsContact O-CG1 3.28Å; L415-I419 WeakPolarHBondContact O-CG1 3.45Å; L415-I419 PolarHBondContact O-N 3.34Å; R416-I419 PolarHBondContact O-N 2.86Å; I419-L422 PolarHBondContact O-N 2.9Å; I419-R423 WeakPolarHBondContact O-CB 3.47Å; I419-R423 PolarHBondContact O-N 3.42Å |
| 420 | Q | 85.1 | Confident | 76.3 | Confident | 89 Ų | 89 | 106.1 Ų | 106.1 | 42% | 0.416 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.3 | -44.4 | 177.6 | -174.4 | 59.8 | 30.6 | 0 | 0 | 111.2 | R416 D417 E418 L422 R423 D424 | R416-Q420 WeakPolarHBondContact O-CB 3.41Å; R416-Q420 PolarHBondContact O-N 3.33Å; D417-Q420 PolarHBondContact O-N 2.88Å; E418-Q420 VanDerWaalsContact C-N 3.29Å; E418-Q420 PolarHBondContact O-N 3.03Å; Q420-L422 VanDerWaalsContact C-N 3.35Å; Q420-L422 PolarHBondContact O-N 3.44Å; Q420-R423 CarbonylContact O-C 3.59Å; Q420-R423 WeakPolarHBondContact O-CB 3.44Å; Q420-R423 PolarHBondContact O-N 2.9Å; Q420-R423 VanDerWaalsContact O-N 3.16Å; Q420-D424 VanDerWaalsContact NE2-CG 3.31Å; Q420-D424 PolarHBondContact NE2-OD1 3.46Å; Q420-D424 PolarHBondContact NE2-OD2 2.92Å; Q420-D424 WeakPolarHBondContact O-CB 3.37Å; Q420-D424 VanDerWaalsContact O-CG 3.3Å; Q420-D424 PolarHBondContact O-N 2.95Å |
| 421 | N | 82.8 | Confident | 73.5 | Confident | 115 Ų | 115 | 105 Ų | 105 | 62% | 0.615 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.9 | -39.9 | 174.8 | -72.3 | -33.4 | 0 | 0 | 0 | 112.6 | D417 E418 R423 D424 G425 | D417-N421 WeakPolarHBondContact O-CB 3.38Å; D417-N421 PolarHBondContact O-N 3.11Å; D417-N421 PolarHBondContact O-ND2 2.92Å; D417-N421 VanDerWaalsContact O-ND2 3.12Å; E418-N421 PolarHBondContact O-N 3.09Å; N421-R423 VanDerWaalsContact C-N 3.33Å; N421-D424 PolarHBondContact O-N 2.92Å; N421-G425 PolarHBondContact O-N 3.49Å |
| 422 | L | 81.2 | Confident | 70.6 | Confident | 125 Ų | 125 | 110.1 Ų | 110.1 | 65% | 0.654 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.9 | -34.2 | 175.1 | -71.2 | 173 | 0 | 0 | 0 | 112.1 | E418 I419 Q420 G426 | E418-L422 HydrophobicContact CG-CD1 4.37Å; E418-L422 WeakPolarHBondContact O-CB 3.28Å; E418-L422 VanDerWaalsContact O-CG 3.31Å; E418-L422 WeakPolarHBondContact O-CG 3.5Å; E418-L422 PolarHBondContact O-N 3.39Å; I419-L422 PolarHBondContact O-N 2.9Å; Q420-L422 VanDerWaalsContact C-N 3.35Å; Q420-L422 PolarHBondContact O-N 3.44Å; L422-G426 PolarHBondContact O-N 3.46Å |
| 423 | R | 76 | Confident | 67.9 | Low | 157 Ų | 157 | 115 Ų | 115 | 59% | 0.592 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71.5 | -41.8 | 173.9 | -177 | -178.9 | -64.4 | -87.2 | -2.1 | 111.9 | I419 Q420 N421 G425 G426 D427 | I419-R423 WeakPolarHBondContact O-CB 3.47Å; I419-R423 PolarHBondContact O-N 3.42Å; Q420-R423 CarbonylContact O-C 3.59Å; Q420-R423 WeakPolarHBondContact O-CB 3.44Å; Q420-R423 PolarHBondContact O-N 2.9Å; Q420-R423 VanDerWaalsContact O-N 3.16Å; N421-R423 VanDerWaalsContact C-N 3.33Å; R423-G425 VanDerWaalsContact C-N 3.31Å; R423-G425 PolarHBondContact O-N 3.33Å; R423-G426 CarbonylContact O-C 3.58Å; R423-G426 WeakPolarHBondContact O-CA 3.31Å; R423-G426 PolarHBondContact O-N 3.21Å; R423-D427 PolarHBondContact O-N 3.14Å |
| 424 | D | 66.6 | Low | 65.2 | Low | 107 Ų | 107 | 117 Ų | 117 | 57% | 0.572 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -73.2 | -25 | 178.5 | -68.8 | -21.5 | 0 | 0 | 0 | 112 | Q420 N421 G426 | Q420-D424 VanDerWaalsContact NE2-CG 3.31Å; Q420-D424 PolarHBondContact NE2-OD1 3.46Å; Q420-D424 PolarHBondContact NE2-OD2 2.92Å; Q420-D424 WeakPolarHBondContact O-CB 3.37Å; Q420-D424 VanDerWaalsContact O-CG 3.3Å; Q420-D424 PolarHBondContact O-N 2.95Å; N421-D424 PolarHBondContact O-N 2.92Å; D424-G426 VanDerWaalsContact C-N 3.27Å |
| 425 | G | 59.9 | Low | 62.8 | Low | 73 Ų | 73 | 118.4 Ų | 118.4 | 75% | 0.753 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -6.6 | 166 | 0 | 0 | 0 | 0 | 0 | 114.3 | N421 R423 | N421-G425 PolarHBondContact O-N 3.49Å; R423-G425 VanDerWaalsContact C-N 3.31Å; R423-G425 PolarHBondContact O-N 3.33Å |
| 426 | G | 54.8 | Low | 59.8 | Low | 56 Ų | 56 | 121.3 Ų | 121.3 | 58% | 0.577 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -137 | 56.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L422 R423 D424 | L422-G426 PolarHBondContact O-N 3.46Å; R423-G426 CarbonylContact O-C 3.58Å; R423-G426 WeakPolarHBondContact O-CA 3.31Å; R423-G426 PolarHBondContact O-N 3.21Å; D424-G426 VanDerWaalsContact C-N 3.27Å |
| 427 | D | 44.1 | Very low | 57 | Low | 108 Ų | 108 | 123.5 Ų | 123.5 | 58% | 0.578 | 66% | 0.657 | S | S | * | * | trans | -137.5 | 88.6 | 162.6 | -156.6 | 18.9 | 0 | 0 | 0 | 110.8 | R423 G429 Q430 | R423-D427 PolarHBondContact O-N 3.14Å; D427-G429 WeakPolarHBondContact OD1-CA 3.48Å; D427-G429 PolarHBondContact OD1-N 2.86Å; D427-Q430 PolarHBondContact OD1-N 3.01Å | ||
| 428 | E | 43.1 | Very low | 54.2 | Low | 206 Ų | 206 | 127.7 Ų | 127.7 | 96% | 0.963 | 68% | 0.679 | S | S | * | * | S | Bend | -98.8 | 101.9 | 125.2 | -80 | -148 | 168.5 | 0 | 0 | 108.1 | |||
| 429 | G | 43.9 | Very low | 51.4 | Low | 66 Ų | 66 | 129.9 Ų | 129.9 | 68% | 0.68 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 99.7 | 96.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 115 | D427 | D427-G429 WeakPolarHBondContact OD1-CA 3.48Å; D427-G429 PolarHBondContact OD1-N 2.86Å |
| 430 | Q | 38 | Very low | 48.8 | Very low | 176 Ų | 176 | 131 Ų | 131 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | 159.2 | 117.3 | 82.6 | -170.7 | 159.2 | 52.8 | 0 | 0 | 110 | D427 | D427-Q430 PolarHBondContact OD1-N 3.01Š| |||
| 431 | S | 37.3 | Very low | 46.2 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 76% | 0.762 | 72% | 0.722 | S | S | * | * | trans | -66.2 | 136.7 | 173 | 73.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 432 | F | 34.8 | Very low | 44.1 | Very low | 192 Ų | 192 | 132.6 Ų | 132.6 | 84% | 0.842 | 73% | 0.734 | S | S | * | * | trans | -139.1 | 114.9 | 152.6 | -143.9 | -95.5 | 0 | 0 | 0 | 111.1 | V434 | F432-V434 HydrophobicContact CD1-CG2 4.29Š| ||
| 433 | F | 37.4 | Very low | 42 | Very low | 178 Ų | 178 | 133 Ų | 133 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | trans | -80.4 | 135.4 | 175 | -143.4 | -110.9 | 0 | 0 | 0 | 108.4 | P435 | F433-P435 HydrophobicContact CD1-CB 4.49Å; F433-P435 HydrophobicContact CD1-CG 3.56Å; F433-P435 HydrophobicContact CE1-CB 4.39Å; F433-P435 HydrophobicContact CE1-CG 3.77Å | ||
| 434 | V | 37 | Very low | 39.8 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | trans | -128.4 | 106.9 | 163.7 | 178.7 | 0 | 0 | 0 | 0 | 109 | F432 | F432-V434 HydrophobicContact CD1-CG2 4.29Š| ||
| 435 | P | 43 | Very low | 38.6 | Very low | 86 Ų | 86 | 134.6 Ų | 134.6 | 56% | 0.558 | 76% | 0.764 | S | S | * | * | trans | -123.4 | 116.7 | 161.9 | 36.5 | -23.4 | 0 | 0 | 0 | 111.3 | F433 | F433-P435 HydrophobicContact CD1-CB 4.49Å; F433-P435 HydrophobicContact CD1-CG 3.56Å; F433-P435 HydrophobicContact CE1-CB 4.39Å; F433-P435 HydrophobicContact CE1-CG 3.77Å | ||
| 436 | E | 30.4 | Very low | 37.5 | Very low | 155 Ų | 155 | 140.8 Ų | 140.8 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | trans | 179.3 | 147 | 159.3 | -131.4 | 152.6 | -175.7 | 0 | 0 | 109 | ||||
| 437 | R | 33.3 | Very low | 37.3 | Very low | 171 Ų | 171 | 142.9 Ų | 142.9 | 65% | 0.645 | 77% | 0.773 | S | S | * | * | cis | 171.4 | 146.2 | -12.2 | 171.7 | -163.7 | -69.9 | -123.4 | 5 | 104.5 | ||||
| 438 | L | 33.2 | Very low | 37.5 | Very low | 171 Ų | 171 | 140.3 Ų | 140.3 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | trans | -171.7 | 113.1 | 131.7 | -99.6 | 162.8 | 0 | 0 | 0 | 110.7 | ||||
| 439 | E | 31.6 | Very low | 37.9 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | -66.1 | 141.7 | 165.1 | -62.3 | 167.7 | 133.3 | 0 | 0 | 110.9 | ||||
| 440 | S | 30.8 | Very low | 38.2 | Very low | 122 Ų | 122 | 144.2 Ų | 144.2 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | trans | -166 | 120 | 135.5 | 63.4 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 441 | G | 31.4 | Very low | 39 | Very low | 74 Ų | 74 | 144 Ų | 144 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | 117.1 | 95.1 | 75.7 | 0 | 0 | 0 | 0 | 0 | 107 | V443 | G441-V443 PolarHBondContact O-N 3.03Š| |||
| 442 | D | 37.7 | Very low | 39.8 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 87% | 0.866 | 74% | 0.737 | S | S | * | * | trans | -50.2 | 119.7 | 171.3 | -170.1 | 14.8 | 0 | 0 | 0 | 111.7 | ||||
| 443 | V | 38 | Very low | 41.1 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | trans | -149.7 | 115.8 | 157.7 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | G441 | G441-V443 PolarHBondContact O-N 3.03Š| ||
| 444 | E | 30.6 | Very low | 42.6 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | trans | -46.7 | 143.7 | 165.6 | -167.7 | 179.3 | -177.3 | 0 | 0 | 114.4 | ||||
| 445 | P | 41.3 | Very low | 44.3 | Very low | 128 Ų | 128 | 131 Ų | 131 | 83% | 0.831 | 69% | 0.691 | S | S | * | * | trans | -83.8 | 123.2 | -172.1 | 33 | -33.3 | 0 | 0 | 0 | 112.5 | ||||
| 446 | K | 35.9 | Very low | 45.8 | Very low | 204 Ų | 204 | 132.6 Ų | 132.6 | 89% | 0.887 | 69% | 0.69 | S | S | * | * | trans | -107.1 | 136.8 | 170.4 | -160.6 | 163.1 | -173.2 | 171.6 | 0 | 110.7 | ||||
| 447 | P | 49.6 | Very low | 48.1 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 64% | 0.643 | 69% | 0.686 | S | S | * | * | trans | -88.1 | 156.9 | -150.4 | 34.5 | -35.7 | 0 | 0 | 0 | 115.2 | ||||
| 448 | T | 49 | Very low | 50.3 | Low | 54 Ų | 54 | 129 Ų | 129 | 33% | 0.331 | 68% | 0.681 | S | S | . | * | trans | -10.1 | 113 | 151.4 | 49.2 | 0 | 0 | 0 | 0 | 117 | R451 | T448-R451 HydrophobicContact CG2-CB 3.93Š| ||
| 449 | V | 51.1 | Low | 52.6 | Low | 130 Ų | 130 | 125.5 Ų | 125.5 | 79% | 0.788 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -112.9 | -10.6 | 158.7 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | ||
| 450 | R | 51.7 | Low | 55.1 | Low | 225 Ų | 225 | 126.5 Ų | 126.5 | 85% | 0.849 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -17 | -178.3 | -148.8 | 179.2 | -168.3 | 169.4 | 3.4 | 114.5 | S453 | R450-S453 PolarHBondContact O-OG 2.89Š|
| 451 | R | 54.8 | Low | 57.9 | Low | 172 Ų | 172 | 126 Ų | 126 | 65% | 0.649 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -33.2 | 176.9 | -142.6 | 176.5 | -78.3 | 138.2 | -5.2 | 110.3 | T448 Q454 V455 | T448-R451 HydrophobicContact CG2-CB 3.93Å; R451-Q454 PolarHBondContact O-N 3.38Å; R451-V455 VanDerWaalsContact O-CG2 3.24Å; R451-V455 WeakPolarHBondContact O-CG2 3.36Å; R451-V455 PolarHBondContact O-N 3.26Å; R451-V455 VanDerWaalsContact O-N 3.09Å |
| 452 | D | 53.6 | Low | 60.6 | Low | 82 Ų | 82 | 126 Ų | 126 | 44% | 0.439 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -68.5 | -36.9 | -179 | -61.5 | 5.3 | 0 | 0 | 0 | 112.1 | Q454 V455 E456 | D452-Q454 PolarHBondContact O-N 2.92Å; D452-V455 PolarHBondContact O-N 2.84Å; D452-E456 WeakPolarHBondContact O-CB 3.42Å; D452-E456 VanDerWaalsContact O-CG 3.29Å; D452-E456 WeakPolarHBondContact O-CG 3.47Å; D452-E456 PolarHBondContact O-N 2.94Å |
| 453 | S | 62.4 | Low | 63 | Low | 64 Ų | 64 | 124 Ų | 124 | 45% | 0.448 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -67.1 | -34.2 | 177.3 | 60.2 | 0 | 0 | 0 | 0 | 113.8 | R450 E457 | R450-S453 PolarHBondContact O-OG 2.89Å; S453-E457 PolarHBondContact O-N 3.49Å |
| 454 | Q | 67.3 | Low | 65.6 | Low | 120 Ų | 120 | 123.5 Ų | 123.5 | 56% | 0.561 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -76.1 | -38.8 | 177.1 | -173.2 | 175.9 | 2.1 | 0 | 0 | 111.1 | R451 D452 E457 E458 | R451-Q454 PolarHBondContact O-N 3.38Å; D452-Q454 PolarHBondContact O-N 2.92Å; Q454-E457 PolarHBondContact O-N 3.37Å; Q454-E458 PolarHBondContact O-N 2.86Å |
| 455 | V | 73.8 | Confident | 68.4 | Low | 71 Ų | 71 | 122.7 Ų | 122.7 | 43% | 0.43 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.9 | -36.6 | 174.9 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | R451 D452 L459 | R451-V455 VanDerWaalsContact O-CG2 3.24Å; R451-V455 WeakPolarHBondContact O-CG2 3.36Å; R451-V455 PolarHBondContact O-N 3.26Å; R451-V455 VanDerWaalsContact O-N 3.09Å; D452-V455 PolarHBondContact O-N 2.84Å; V455-L459 HydrophobicContact CG1-CD1 3.86Å; V455-L459 VanDerWaalsContact O-CB 3.28Å; V455-L459 WeakPolarHBondContact O-CB 3.44Å; V455-L459 WeakPolarHBondContact O-CD1 3.43Å; V455-L459 WeakPolarHBondContact O-CG 3.46Å; V455-L459 PolarHBondContact O-N 2.93Å |
| 456 | E | 73.6 | Confident | 70.6 | Confident | 118 Ų | 118 | 122.3 Ų | 122.3 | 55% | 0.551 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.6 | -37.6 | 173.8 | -81.6 | 178.8 | -179.6 | 0 | 0 | 112.9 | D452 L459 R460 | D452-E456 WeakPolarHBondContact O-CB 3.42Å; D452-E456 VanDerWaalsContact O-CG 3.29Å; D452-E456 WeakPolarHBondContact O-CG 3.47Å; D452-E456 PolarHBondContact O-N 2.94Å; E456-L459 PolarHBondContact O-N 3.2Å; E456-R460 WeakPolarHBondContact O-CG 3.43Å; E456-R460 PolarHBondContact O-N 2.92Å |
| 457 | E | 79.8 | Confident | 73.1 | Confident | 137 Ų | 137 | 117.2 Ų | 117.2 | 64% | 0.64 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -73.1 | -39.7 | 178.6 | -157 | 166.2 | -153.2 | 0 | 0 | 111.7 | S453 Q454 R460 L461 | S453-E457 PolarHBondContact O-N 3.49Å; Q454-E457 PolarHBondContact O-N 3.37Å; E457-R460 PolarHBondContact O-N 3.38Å; E457-L461 PolarHBondContact O-N 3.37Å |
| 458 | E | 80.2 | Confident | 75.1 | Confident | 114 Ų | 114 | 117.1 Ų | 117.1 | 53% | 0.533 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.8 | -37.7 | 170.5 | -75 | -178.5 | -179.3 | 0 | 0 | 112.4 | Q454 L461 T462 | Q454-E458 PolarHBondContact O-N 2.86Å; E458-L461 PolarHBondContact O-N 3.15Å; E458-T462 WeakPolarHBondContact O-CB 3.39Å; E458-T462 VanDerWaalsContact O-CG2 3.28Å; E458-T462 WeakPolarHBondContact O-CG2 3.34Å; E458-T462 PolarHBondContact O-N 3.43Å; E458-T462 PolarHBondContact O-OG1 2.93Å |
| 459 | L | 81 | Confident | 77.1 | Confident | 98 Ų | 98 | 119.5 Ų | 119.5 | 51% | 0.513 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.7 | -39.8 | 173.3 | -87.6 | 159.5 | 0 | 0 | 0 | 111.9 | V455 E456 T462 Q463 | V455-L459 HydrophobicContact CG1-CD1 3.86Å; V455-L459 VanDerWaalsContact O-CB 3.28Å; V455-L459 WeakPolarHBondContact O-CB 3.44Å; V455-L459 WeakPolarHBondContact O-CD1 3.43Å; V455-L459 WeakPolarHBondContact O-CG 3.46Å; V455-L459 PolarHBondContact O-N 2.93Å; E456-L459 PolarHBondContact O-N 3.2Å; L459-T462 VanDerWaalsContact CA-OG1 3.31Å; L459-T462 WeakPolarHBondContact CA-OG1 3.5Å; L459-T462 PolarHBondContact O-OG1 3.39Å; L459-Q463 VanDerWaalsContact O-CB 3.23Å; L459-Q463 WeakPolarHBondContact O-CB 3.32Å; L459-Q463 PolarHBondContact O-N 3.45Å |
| 460 | R | 83.4 | Confident | 79 | Confident | 179 Ų | 179 | 119 Ų | 119 | 68% | 0.675 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.3 | -46.5 | 176 | -76.5 | 179.8 | 178.7 | -178.2 | 2.8 | 112.3 | E456 E457 T462 Q463 E464 | E456-R460 WeakPolarHBondContact O-CG 3.43Å; E456-R460 PolarHBondContact O-N 2.92Å; E457-R460 PolarHBondContact O-N 3.38Å; R460-T462 VanDerWaalsContact C-N 3.34Å; R460-T462 PolarHBondContact O-N 3.23Å; R460-Q463 PolarHBondContact O-N 3.48Å; R460-E464 WeakPolarHBondContact O-CG 3.31Å; R460-E464 PolarHBondContact O-N 2.98Å |
| 461 | L | 90.3 | Very high | 81 | Confident | 112 Ų | 112 | 114.8 Ų | 114.8 | 59% | 0.586 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.3 | -41.5 | 176.6 | -98.7 | 155.8 | 0 | 0 | 0 | 112.4 | E457 E458 K465 | E457-L461 PolarHBondContact O-N 3.37Å; E458-L461 PolarHBondContact O-N 3.15Å; L461-K465 WeakPolarHBondContact O-CB 3.35Å; L461-K465 PolarHBondContact O-N 3.27Å |
| 462 | T | 86.8 | Confident | 82.9 | Confident | 75 Ų | 75 | 110.1 Ų | 110.1 | 46% | 0.46 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.6 | -38 | 175.5 | 50.5 | 0 | 0 | 0 | 0 | 111.5 | E458 L459 R460 K465 L466 | E458-T462 WeakPolarHBondContact O-CB 3.39Å; E458-T462 VanDerWaalsContact O-CG2 3.28Å; E458-T462 WeakPolarHBondContact O-CG2 3.34Å; E458-T462 PolarHBondContact O-N 3.43Å; E458-T462 PolarHBondContact O-OG1 2.93Å; L459-T462 VanDerWaalsContact CA-OG1 3.31Å; L459-T462 WeakPolarHBondContact CA-OG1 3.5Å; L459-T462 PolarHBondContact O-OG1 3.39Å; R460-T462 VanDerWaalsContact C-N 3.34Å; R460-T462 PolarHBondContact O-N 3.23Å; T462-K465 PolarHBondContact O-N 3.47Å; T462-L466 WeakPolarHBondContact O-CB 3.29Å; T462-L466 VanDerWaalsContact O-CG 3.26Å; T462-L466 WeakPolarHBondContact O-CG 3.45Å; T462-L466 PolarHBondContact O-N 3.3Å |
| 463 | Q | 88.9 | Confident | 84.4 | Confident | 118 Ų | 118 | 110 Ų | 110 | 55% | 0.551 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.4 | -41.3 | 176.2 | -172.8 | 150.9 | -12.4 | 0 | 0 | 112.8 | L459 R460 L466 Q467 | L459-Q463 VanDerWaalsContact O-CB 3.23Å; L459-Q463 WeakPolarHBondContact O-CB 3.32Å; L459-Q463 PolarHBondContact O-N 3.45Å; R460-Q463 PolarHBondContact O-N 3.48Å; Q463-L466 PolarHBondContact O-N 3.29Å; Q463-Q467 WeakPolarHBondContact O-CG 3.41Å; Q463-Q467 PolarHBondContact O-N 3.28Å |
| 464 | E | 91.9 | Very high | 85.8 | Confident | 126 Ų | 126 | 112.4 Ų | 112.4 | 59% | 0.589 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.1 | -41 | 173.4 | -72.8 | 178.2 | -179.6 | 0 | 0 | 111.9 | R460 L466 Q467 L468 | R460-E464 WeakPolarHBondContact O-CG 3.31Å; R460-E464 PolarHBondContact O-N 2.98Å; E464-L466 VanDerWaalsContact C-N 3.35Å; E464-Q467 PolarHBondContact O-N 2.85Å; E464-L468 PolarHBondContact O-N 3.33Å |
| 465 | K | 91.2 | Very high | 87 | Confident | 150 Ų | 150 | 112.5 Ų | 112.5 | 65% | 0.652 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.4 | -38.2 | 175.9 | -170.5 | 176.5 | -177.8 | 179.2 | 0 | 112.1 | L461 T462 L468 K469 | L461-K465 WeakPolarHBondContact O-CB 3.35Å; L461-K465 PolarHBondContact O-N 3.27Å; T462-K465 PolarHBondContact O-N 3.47Å; K465-L468 PolarHBondContact O-N 2.91Å; K465-K469 WeakPolarHBondContact O-CB 3.48Å; K465-K469 VanDerWaalsContact O-CG 3.29Å; K465-K469 WeakPolarHBondContact O-CG 3.5Å; K465-K469 PolarHBondContact O-N 3.02Å |
| 466 | L | 86.8 | Confident | 87.9 | Confident | 120 Ų | 120 | 113.7 Ų | 113.7 | 63% | 0.628 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.2 | -42.4 | 174.5 | -73.6 | 174 | 0 | 0 | 0 | 111.4 | T462 Q463 E464 L468 K469 E470 | T462-L466 WeakPolarHBondContact O-CB 3.29Å; T462-L466 VanDerWaalsContact O-CG 3.26Å; T462-L466 WeakPolarHBondContact O-CG 3.45Å; T462-L466 PolarHBondContact O-N 3.3Å; Q463-L466 PolarHBondContact O-N 3.29Å; E464-L466 VanDerWaalsContact C-N 3.35Å; L466-L468 VanDerWaalsContact C-N 3.32Å; L466-L468 PolarHBondContact O-N 2.87Å; L466-K469 CarbonylContact O-C 3.47Å; L466-K469 PolarHBondContact O-N 3.46Å; L466-E470 WeakPolarHBondContact O-CB 3.38Å; L466-E470 PolarHBondContact O-N 2.85Å |
| 467 | Q | 88.1 | Confident | 88.8 | Confident | 97 Ų | 97 | 113.5 Ų | 113.5 | 45% | 0.453 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 175.4 | -74.9 | -178.1 | -4.9 | 0 | 0 | 112.8 | Q463 E464 E470 K471 | Q463-Q467 WeakPolarHBondContact O-CG 3.41Å; Q463-Q467 PolarHBondContact O-N 3.28Å; E464-Q467 PolarHBondContact O-N 2.85Å; Q467-E470 PolarHBondContact O-N 3.31Å; Q467-K471 WeakPolarHBondContact O-CG 3.32Å; Q467-K471 PolarHBondContact O-N 3Å; Q467-K471 VanDerWaalsContact O-N 3.09Å |
| 468 | L | 92.4 | Very high | 89.4 | Confident | 98 Ų | 98 | 111.3 Ų | 111.3 | 51% | 0.513 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.8 | -40.9 | 175.3 | -165.8 | 147.5 | 0 | 0 | 0 | 111 | E464 K465 L466 E470 K471 E472 | E464-L468 PolarHBondContact O-N 3.33Å; K465-L468 PolarHBondContact O-N 2.91Å; L466-L468 VanDerWaalsContact C-N 3.32Å; L466-L468 PolarHBondContact O-N 2.87Å; L468-E470 VanDerWaalsContact C-N 3.33Å; L468-K471 PolarHBondContact O-N 3.22Å; L468-E472 HydrophobicContact CD2-CG 4.22Å; L468-E472 WeakPolarHBondContact CD2-OE1 3.46Å; L468-E472 WeakPolarHBondContact O-CG 3.33Å; L468-E472 PolarHBondContact O-N 3.46Å |
| 469 | K | 89.6 | Confident | 90 | Very high | 103 Ų | 103 | 111 Ų | 111 | 45% | 0.448 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.8 | -36.3 | 173.6 | -72.8 | -75.4 | 162.8 | -157.1 | 0 | 112.6 | K465 L466 E472 C473 | K465-K469 WeakPolarHBondContact O-CB 3.48Å; K465-K469 VanDerWaalsContact O-CG 3.29Å; K465-K469 WeakPolarHBondContact O-CG 3.5Å; K465-K469 PolarHBondContact O-N 3.02Å; L466-K469 CarbonylContact O-C 3.47Å; L466-K469 PolarHBondContact O-N 3.46Å; K469-E472 WeakPolarHBondContact CD-OE2 3.49Å; K469-E472 WeakPolarHBondContact CE-OE2 3.41Å; K469-E472 IonicContact NZ-OE1 3.77Å; K469-E472 IonicContact NZ-OE2 3.82Å; K469-E472 PolarHBondContact NZ-OE2 3.46Å; K469-E472 PolarHBondContact O-N 2.92Å; K469-C473 WeakPolarHBondContact O-CB 3.04Å; K469-C473 PolarHBondContact O-N 3.43Å; K469-C473 PolarHBondContact O-SG 2.84Å; K469-C473 VanDerWaalsContact O-SG 3.32Å |
| 470 | E | 92.2 | Very high | 90.6 | Very high | 119 Ų | 119 | 112.3 Ų | 112.3 | 56% | 0.556 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62 | -44.4 | 174.3 | -172.2 | 171.2 | -158.2 | 0 | 0 | 110.9 | L466 Q467 L468 C473 E474 | L466-E470 WeakPolarHBondContact O-CB 3.38Å; L466-E470 PolarHBondContact O-N 2.85Å; Q467-E470 PolarHBondContact O-N 3.31Å; L468-E470 VanDerWaalsContact C-N 3.33Å; E470-C473 WeakPolarHBondContact O-CB 3.44Å; E470-C473 PolarHBondContact O-N 3.36Å; E470-E474 WeakPolarHBondContact O-CG 3.35Å; E470-E474 PolarHBondContact O-N 2.66Å |
| 471 | K | 93.1 | Very high | 91 | Very high | 138 Ų | 138 | 108.6 Ų | 108.6 | 60% | 0.6 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64 | -42.1 | 174 | -70.8 | 175 | -178.4 | 177.1 | 0 | 113.4 | Q467 L468 C473 E474 E475 | Q467-K471 WeakPolarHBondContact O-CG 3.32Å; Q467-K471 PolarHBondContact O-N 3Å; Q467-K471 VanDerWaalsContact O-N 3.09Å; L468-K471 PolarHBondContact O-N 3.22Å; K471-C473 VanDerWaalsContact C-N 3.28Å; K471-C473 PolarHBondContact O-N 3.03Å; K471-E474 PolarHBondContact O-N 2.91Å; K471-E475 WeakPolarHBondContact O-CB 3.41Å; K471-E475 PolarHBondContact O-N 2.94Å |
| 472 | E | 93.8 | Very high | 91.1 | Very high | 74 Ų | 74 | 105.6 Ų | 105.6 | 35% | 0.346 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.3 | -39.5 | 173.8 | -73.3 | 176.5 | -176.8 | 0 | 0 | 111 | L468 K469 E475 L476 | L468-E472 HydrophobicContact CD2-CG 4.22Å; L468-E472 WeakPolarHBondContact CD2-OE1 3.46Å; L468-E472 WeakPolarHBondContact O-CG 3.33Å; L468-E472 PolarHBondContact O-N 3.46Å; K469-E472 WeakPolarHBondContact CD-OE2 3.49Å; K469-E472 WeakPolarHBondContact CE-OE2 3.41Å; K469-E472 IonicContact NZ-OE1 3.77Å; K469-E472 IonicContact NZ-OE2 3.82Å; K469-E472 PolarHBondContact NZ-OE2 3.46Å; K469-E472 PolarHBondContact O-N 2.92Å; E472-E475 PolarHBondContact O-N 2.92Å; E472-L476 WeakPolarHBondContact O-CB 3.26Å; E472-L476 VanDerWaalsContact O-CG 3.25Å; E472-L476 WeakPolarHBondContact O-CG 3.26Å; E472-L476 PolarHBondContact O-N 3.4Å |
| 473 | C | 85.9 | Confident | 91.2 | Very high | 78 Ų | 78 | 107 Ų | 107 | 53% | 0.527 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66 | -41 | 175.2 | -75.7 | 0 | 0 | 0 | 0 | 112.3 | K469 E470 K471 Q477 | K469-C473 WeakPolarHBondContact O-CB 3.04Å; K469-C473 PolarHBondContact O-N 3.43Å; K469-C473 PolarHBondContact O-SG 2.84Å; K469-C473 VanDerWaalsContact O-SG 3.32Å; E470-C473 WeakPolarHBondContact O-CB 3.44Å; E470-C473 PolarHBondContact O-N 3.36Å; K471-C473 VanDerWaalsContact C-N 3.28Å; K471-C473 PolarHBondContact O-N 3.03Å; C473-Q477 VanDerWaalsContact O-CB 3.24Å; C473-Q477 WeakPolarHBondContact O-CB 3.44Å; C473-Q477 PolarHBondContact O-N 3.45Å |
| 474 | E | 92.2 | Very high | 91.4 | Very high | 116 Ų | 116 | 106.2 Ų | 106.2 | 54% | 0.542 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 174 | -72.9 | 179 | 167.7 | 0 | 0 | 111.5 | E470 K471 Q477 T478 | E470-E474 WeakPolarHBondContact O-CG 3.35Å; E470-E474 PolarHBondContact O-N 2.66Å; K471-E474 PolarHBondContact O-N 2.91Å; E474-Q477 WeakPolarHBondContact O-CB 3.46Å; E474-Q477 PolarHBondContact O-N 2.63Å; E474-T478 WeakPolarHBondContact O-CG2 3.44Å; E474-T478 PolarHBondContact O-N 3.39Å |
| 475 | E | 92.6 | Very high | 91.5 | Very high | 121 Ų | 121 | 106.9 Ų | 106.9 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.9 | -50.1 | 177 | -174.1 | 170.4 | -161.6 | 0 | 0 | 111.1 | K471 E472 Q477 T478 E479 | K471-E475 WeakPolarHBondContact O-CB 3.41Å; K471-E475 PolarHBondContact O-N 2.94Å; E472-E475 PolarHBondContact O-N 2.92Å; E475-Q477 PolarHBondContact O-N 3.38Å; E475-T478 PolarHBondContact O-N 2.95Å; E475-T478 PolarHBondContact O-OG1 3.25Å; E475-E479 PolarHBondContact O-N 2.94Å |
| 476 | L | 92.8 | Very high | 91.5 | Very high | 97 Ų | 97 | 105.8 Ų | 105.8 | 51% | 0.508 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.3 | -35.7 | 175.2 | -74.1 | 170.7 | 0 | 0 | 0 | 112.4 | E472 E479 L480 | E472-L476 WeakPolarHBondContact O-CB 3.26Å; E472-L476 VanDerWaalsContact O-CG 3.25Å; E472-L476 WeakPolarHBondContact O-CG 3.26Å; E472-L476 PolarHBondContact O-N 3.4Å; L476-E479 PolarHBondContact O-N 2.97Å; L476-L480 WeakPolarHBondContact O-CB 3.46Å; L476-L480 WeakPolarHBondContact O-CG 3.47Å; L476-L480 PolarHBondContact O-N 3.27Å |
| 477 | Q | 92.4 | Very high | 91.6 | Very high | 113 Ų | 113 | 103.6 Ų | 103.6 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.3 | -38.1 | 175.9 | -171.3 | 173.2 | -8 | 0 | 0 | 111.3 | C473 E474 E475 H481 | C473-Q477 VanDerWaalsContact O-CB 3.24Å; C473-Q477 WeakPolarHBondContact O-CB 3.44Å; C473-Q477 PolarHBondContact O-N 3.45Å; E474-Q477 WeakPolarHBondContact O-CB 3.46Å; E474-Q477 PolarHBondContact O-N 2.63Å; E475-Q477 PolarHBondContact O-N 3.38Å; Q477-H481 PolarHBondContact O-CD2 2.97Å; Q477-H481 PolarHBondContact O-N 3.49Å |
| 478 | T | 91.3 | Very high | 91.9 | Very high | 92 Ų | 92 | 104 Ų | 104 | 56% | 0.564 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.6 | -38.6 | 173.8 | 63.6 | 0 | 0 | 0 | 0 | 112.8 | E474 E475 H481 A482 | E474-T478 WeakPolarHBondContact O-CG2 3.44Å; E474-T478 PolarHBondContact O-N 3.39Å; E475-T478 PolarHBondContact O-N 2.95Å; E475-T478 PolarHBondContact O-OG1 3.25Å; T478-H481 PolarHBondContact O-N 3.37Å; T478-A482 WeakPolarHBondContact O-CB 3.37Å; T478-A482 PolarHBondContact O-N 3.47Å |
| 479 | E | 94.3 | Very high | 91.9 | Very high | 107 Ų | 107 | 102.5 Ų | 102.5 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | 174.5 | -70.9 | -171.1 | 163.1 | 0 | 0 | 111.8 | E475 L476 A482 M483 | E475-E479 PolarHBondContact O-N 2.94Å; L476-E479 PolarHBondContact O-N 2.97Å; E479-A482 PolarHBondContact O-N 3.36Å; E479-M483 WeakPolarHBondContact O-CB 3.43Å; E479-M483 WeakPolarHBondContact O-CG 3.39Å; E479-M483 PolarHBondContact O-N 3.4Å |
| 480 | L | 92.3 | Very high | 91.6 | Very high | 126 Ų | 126 | 100.2 Ų | 100.2 | 66% | 0.66 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.7 | -45.1 | 174 | -86.7 | 170.5 | 0 | 0 | 0 | 111.8 | L476 M483 E484 | L476-L480 WeakPolarHBondContact O-CB 3.46Å; L476-L480 WeakPolarHBondContact O-CG 3.47Å; L476-L480 PolarHBondContact O-N 3.27Å; L480-M483 PolarHBondContact O-N 3.48Å; L480-E484 WeakPolarHBondContact O-CB 3.24Å; L480-E484 PolarHBondContact O-N 3.02Å |
| 481 | H | 91.8 | Very high | 91.6 | Very high | 101 Ų | 101 | 100.7 Ų | 100.7 | 47% | 0.468 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.8 | -37.3 | 176.3 | -77.5 | -51.1 | 0 | 0 | 0 | 112.8 | Q477 T478 E484 Q485 | Q477-H481 PolarHBondContact O-CD2 2.97Å; Q477-H481 PolarHBondContact O-N 3.49Å; T478-H481 PolarHBondContact O-N 3.37Å; H481-E484 IonicContact ND1-OE2 2.69Å; H481-E484 PolarHBondContact O-N 3.02Å; H481-Q485 WeakPolarHBondContact O-CG 3.47Å; H481-Q485 PolarHBondContact O-N 2.98Å |
| 482 | A | 93 | Very high | 91.5 | Very high | 49 Ų | 49 | 96.7 Ų | 96.7 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | T478 E479 E484 Q485 E486 | T478-A482 WeakPolarHBondContact O-CB 3.37Å; T478-A482 PolarHBondContact O-N 3.47Å; E479-A482 PolarHBondContact O-N 3.36Å; A482-E484 VanDerWaalsContact C-N 3.34Å; A482-E484 PolarHBondContact O-N 3.26Å; A482-Q485 PolarHBondContact O-N 3.45Å; A482-E486 PolarHBondContact O-N 3.23Å |
| 483 | M | 88.5 | Confident | 91.5 | Very high | 103 Ų | 103 | 101.8 Ų | 101.8 | 51% | 0.507 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.3 | -37.2 | 177 | -78.1 | -88.2 | 56.2 | 0 | 0 | 113.1 | E479 L480 E486 C487 | E479-M483 WeakPolarHBondContact O-CB 3.43Å; E479-M483 WeakPolarHBondContact O-CG 3.39Å; E479-M483 PolarHBondContact O-N 3.4Å; L480-M483 PolarHBondContact O-N 3.48Å; M483-E486 HydrophobicContact CE-CB 3.83Å; M483-E486 HydrophobicContact CE-CG 4.24Å; M483-E486 WeakPolarHBondContact CE-OE2 3.36Å; M483-E486 PolarHBondContact O-N 3Å; M483-C487 WeakPolarHBondContact O-CB 3.46Å; M483-C487 PolarHBondContact O-N 2.91Å |
| 484 | E | 92.6 | Very high | 91.6 | Very high | 102 Ų | 102 | 103.9 Ų | 103.9 | 48% | 0.477 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 173 | -174 | 178.1 | -170.6 | 0 | 0 | 111.3 | L480 H481 A482 C487 Q488 | L480-E484 WeakPolarHBondContact O-CB 3.24Å; L480-E484 PolarHBondContact O-N 3.02Å; H481-E484 IonicContact ND1-OE2 2.69Å; H481-E484 PolarHBondContact O-N 3.02Å; A482-E484 VanDerWaalsContact C-N 3.34Å; A482-E484 PolarHBondContact O-N 3.26Å; E484-C487 WeakPolarHBondContact O-CB 3.35Å; E484-C487 PolarHBondContact O-N 3.38Å; E484-Q488 WeakPolarHBondContact O-CG 3.39Å; E484-Q488 PolarHBondContact O-N 2.98Å |
| 485 | Q | 94.4 | Very high | 91.5 | Very high | 141 Ų | 141 | 101.3 Ų | 101.3 | 66% | 0.659 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.2 | -41.1 | 175.5 | -77.3 | -173.5 | -9.7 | 0 | 0 | 112.6 | H481 A482 C487 Q488 S489 | H481-Q485 WeakPolarHBondContact O-CG 3.47Å; H481-Q485 PolarHBondContact O-N 2.98Å; A482-Q485 PolarHBondContact O-N 3.45Å; Q485-C487 VanDerWaalsContact C-N 3.33Å; Q485-Q488 PolarHBondContact O-N 3.17Å; Q485-S489 VanDerWaalsContact O-CB 3.31Å; Q485-S489 WeakPolarHBondContact O-CB 3.29Å; Q485-S489 PolarHBondContact O-N 2.89Å |
| 486 | E | 92 | Very high | 91.5 | Very high | 126 Ų | 126 | 101 Ų | 101 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.9 | -39.7 | 174.8 | -71.9 | -169.6 | -177.3 | 0 | 0 | 111.8 | A482 M483 S489 S490 | A482-E486 PolarHBondContact O-N 3.23Å; M483-E486 HydrophobicContact CE-CB 3.83Å; M483-E486 HydrophobicContact CE-CG 4.24Å; M483-E486 WeakPolarHBondContact CE-OE2 3.36Å; M483-E486 PolarHBondContact O-N 3Å; E486-S489 PolarHBondContact O-N 3.27Å; E486-S490 WeakPolarHBondContact O-CB 3.41Å; E486-S490 PolarHBondContact O-N 3.24Å |
| 487 | C | 89 | Confident | 91.2 | Very high | 74 Ų | 74 | 99.7 Ų | 99.7 | 50% | 0.5 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.2 | -48.4 | 175.1 | -168.2 | 0 | 0 | 0 | 0 | 111 | M483 E484 Q485 S489 S490 Q491 | M483-C487 WeakPolarHBondContact O-CB 3.46Å; M483-C487 PolarHBondContact O-N 2.91Å; E484-C487 WeakPolarHBondContact O-CB 3.35Å; E484-C487 PolarHBondContact O-N 3.38Å; Q485-C487 VanDerWaalsContact C-N 3.33Å; C487-S489 VanDerWaalsContact C-N 3.34Å; C487-S489 PolarHBondContact O-N 3.02Å; C487-S490 PolarHBondContact O-N 3.28Å; C487-S490 PolarHBondContact O-OG 3.38Å; C487-Q491 WeakPolarHBondContact O-CB 3.41Å; C487-Q491 PolarHBondContact O-N 2.88Å |
| 488 | Q | 93.8 | Very high | 91.1 | Very high | 107 Ų | 107 | 102.3 Ų | 102.3 | 50% | 0.5 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 176.5 | -70.4 | 177.5 | 10.9 | 0 | 0 | 112.1 | E484 Q485 Q491 A492 | E484-Q488 WeakPolarHBondContact O-CG 3.39Å; E484-Q488 PolarHBondContact O-N 2.98Å; Q485-Q488 PolarHBondContact O-N 3.17Å; Q488-Q491 PolarHBondContact O-N 2.91Å; Q488-A492 WeakPolarHBondContact O-CB 3.39Å; Q488-A492 PolarHBondContact O-N 3.34Å |
| 489 | S | 91.8 | Very high | 91.1 | Very high | 65 Ų | 65 | 101.4 Ų | 101.4 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 174.3 | 178.4 | 0 | 0 | 0 | 0 | 111.9 | Q485 E486 C487 Q491 A492 R493 | Q485-S489 VanDerWaalsContact O-CB 3.31Å; Q485-S489 WeakPolarHBondContact O-CB 3.29Å; Q485-S489 PolarHBondContact O-N 2.89Å; E486-S489 PolarHBondContact O-N 3.27Å; C487-S489 VanDerWaalsContact C-N 3.34Å; C487-S489 PolarHBondContact O-N 3.02Å; S489-Q491 VanDerWaalsContact C-N 3.34Å; S489-Q491 PolarHBondContact O-N 3.44Å; S489-A492 PolarHBondContact O-N 3.06Å; S489-R493 WeakPolarHBondContact O-CG 3.19Å; S489-R493 PolarHBondContact O-N 2.93Å |
| 490 | S | 84.1 | Confident | 91 | Very high | 55 Ų | 55 | 101 Ų | 101 | 39% | 0.385 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 175.8 | 80.7 | 0 | 0 | 0 | 0 | 111.7 | E486 C487 R493 L494 | E486-S490 WeakPolarHBondContact O-CB 3.41Å; E486-S490 PolarHBondContact O-N 3.24Å; C487-S490 PolarHBondContact O-N 3.28Å; C487-S490 PolarHBondContact O-OG 3.38Å; S490-R493 PolarHBondContact O-N 2.91Å; S490-L494 WeakPolarHBondContact O-CB 3.48Å; S490-L494 VanDerWaalsContact O-CG 3.31Å; S490-L494 WeakPolarHBondContact O-CG 3.41Å; S490-L494 PolarHBondContact O-N 3.03Å |
| 491 | Q | 91.7 | Very high | 90.3 | Very high | 129 Ų | 129 | 100.7 Ų | 100.7 | 60% | 0.603 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65 | -41.2 | 176 | -175 | 176.3 | -2.3 | 0 | 0 | 111.4 | C487 Q488 S489 L494 S495 | C487-Q491 WeakPolarHBondContact O-CB 3.41Å; C487-Q491 PolarHBondContact O-N 2.88Å; Q488-Q491 PolarHBondContact O-N 2.91Å; S489-Q491 VanDerWaalsContact C-N 3.34Å; S489-Q491 PolarHBondContact O-N 3.44Å; Q491-L494 PolarHBondContact O-N 2.97Å; Q491-S495 PolarHBondContact O-N 3.08Å |
| 492 | A | 90.8 | Very high | 89.8 | Confident | 54 Ų | 54 | 102.1 Ų | 102.1 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q488 S489 L494 S495 Q496 | Q488-A492 WeakPolarHBondContact O-CB 3.39Å; Q488-A492 PolarHBondContact O-N 3.34Å; S489-A492 PolarHBondContact O-N 3.06Å; A492-L494 VanDerWaalsContact C-N 3.32Å; A492-L494 PolarHBondContact O-N 3.3Å; A492-S495 PolarHBondContact O-N 3.29Å; A492-S495 VanDerWaalsContact O-N 3.15Å; A492-S495 PolarHBondContact O-OG 3.06Å; A492-Q496 PolarHBondContact O-N 2.89Å |
| 493 | R | 94.8 | Very high | 89.2 | Confident | 182 Ų | 182 | 106.3 Ų | 106.3 | 69% | 0.687 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.3 | -38.7 | 176.1 | -70.1 | 175.8 | 67.6 | -171.6 | 0.9 | 112.6 | S489 S490 Q496 C497 | S489-R493 WeakPolarHBondContact O-CG 3.19Å; S489-R493 PolarHBondContact O-N 2.93Å; S490-R493 PolarHBondContact O-N 2.91Å; R493-Q496 PolarHBondContact O-N 3.28Å; R493-C497 WeakPolarHBondContact O-CB 3.39Å; R493-C497 PolarHBondContact O-N 3.27Å |
| 494 | L | 88.7 | Confident | 88.5 | Confident | 122 Ų | 122 | 106.7 Ų | 106.7 | 64% | 0.639 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.6 | -39.5 | 175 | -74.8 | 172.3 | 0 | 0 | 0 | 111.9 | S490 Q491 A492 C497 R498 | S490-L494 WeakPolarHBondContact O-CB 3.48Å; S490-L494 VanDerWaalsContact O-CG 3.31Å; S490-L494 WeakPolarHBondContact O-CG 3.41Å; S490-L494 PolarHBondContact O-N 3.03Å; Q491-L494 PolarHBondContact O-N 2.97Å; A492-L494 VanDerWaalsContact C-N 3.32Å; A492-L494 PolarHBondContact O-N 3.3Å; L494-C497 PolarHBondContact O-N 3.13Å; L494-R498 VanDerWaalsContact O-CB 3.31Å; L494-R498 WeakPolarHBondContact O-CB 3.37Å; L494-R498 PolarHBondContact O-N 2.97Å |
| 495 | S | 88.8 | Confident | 87.4 | Confident | 61 Ų | 61 | 104.3 Ų | 104.3 | 43% | 0.427 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 175.2 | 74.6 | 0 | 0 | 0 | 0 | 111.9 | Q491 A492 R498 D499 | Q491-S495 PolarHBondContact O-N 3.08Å; A492-S495 PolarHBondContact O-N 3.29Å; A492-S495 VanDerWaalsContact O-N 3.15Å; A492-S495 PolarHBondContact O-OG 3.06Å; S495-R498 WeakPolarHBondContact O-CB 3.36Å; S495-R498 PolarHBondContact O-N 2.91Å; S495-D499 PolarHBondContact O-N 3.01Å |
| 496 | Q | 92.4 | Very high | 85.8 | Confident | 115 Ų | 115 | 103.4 Ų | 103.4 | 54% | 0.537 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.1 | -49 | 174 | -175.8 | -176.3 | -12 | 0 | 0 | 111.6 | A492 R493 R498 D499 E500 | A492-Q496 PolarHBondContact O-N 2.89Å; R493-Q496 PolarHBondContact O-N 3.28Å; Q496-R498 VanDerWaalsContact C-N 3.26Å; Q496-R498 PolarHBondContact O-N 3.33Å; Q496-D499 PolarHBondContact O-N 3.35Å; Q496-D499 VanDerWaalsContact O-N 3.11Å; Q496-E500 PolarHBondContact NE2-OE1 2.95Å; Q496-E500 VanDerWaalsContact NE2-OE1 3.16Å; Q496-E500 WeakPolarHBondContact O-CG 3.44Å; Q496-E500 PolarHBondContact O-N 3.4Å |
| 497 | C | 86.4 | Confident | 84.1 | Confident | 69 Ų | 69 | 107.2 Ų | 107.2 | 47% | 0.466 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.7 | -38.5 | 176.5 | -175.4 | 0 | 0 | 0 | 0 | 111.5 | R493 L494 E500 L501 | R493-C497 WeakPolarHBondContact O-CB 3.39Å; R493-C497 PolarHBondContact O-N 3.27Å; L494-C497 PolarHBondContact O-N 3.13Å; C497-E500 PolarHBondContact O-N 3.44Å; C497-L501 WeakPolarHBondContact O-CB 3.42Å; C497-L501 PolarHBondContact O-N 3.36Å |
| 498 | R | 91.3 | Very high | 82.3 | Confident | 168 Ų | 168 | 114.6 Ų | 114.6 | 63% | 0.634 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.8 | -40.4 | 175.4 | -169.1 | -179.3 | -133.1 | 160.2 | 4.5 | 112.1 | L494 S495 Q496 L501 R502 | L494-R498 VanDerWaalsContact O-CB 3.31Å; L494-R498 WeakPolarHBondContact O-CB 3.37Å; L494-R498 PolarHBondContact O-N 2.97Å; S495-R498 WeakPolarHBondContact O-CB 3.36Å; S495-R498 PolarHBondContact O-N 2.91Å; Q496-R498 VanDerWaalsContact C-N 3.26Å; Q496-R498 PolarHBondContact O-N 3.33Å; R498-L501 WeakPolarHBondContact O-CB 3.25Å; R498-L501 PolarHBondContact O-N 2.97Å; R498-R502 WeakPolarHBondContact O-CG 3.4Å; R498-R502 PolarHBondContact O-N 3.34Å |
| 499 | D | 90.4 | Very high | 80.1 | Confident | 74 Ų | 74 | 119.1 Ų | 119.1 | 40% | 0.396 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -73.5 | -36 | 178.9 | -72.1 | -23.4 | 0 | 0 | 0 | 112.3 | S495 Q496 L501 R502 Q503 | S495-D499 PolarHBondContact O-N 3.01Å; Q496-D499 PolarHBondContact O-N 3.35Å; Q496-D499 VanDerWaalsContact O-N 3.11Å; D499-L501 VanDerWaalsContact C-N 3.33Å; D499-L501 PolarHBondContact O-N 3.07Å; D499-R502 WeakPolarHBondContact O-CB 3.35Å; D499-R502 PolarHBondContact O-N 3.06Å; D499-R502 IonicContact OD1-CZ 2.87Å; D499-R502 IonicContact OD1-NH1 3.9Å; D499-R502 PolarHBondContact OD1-NH1 3.09Å; D499-Q503 WeakPolarHBondContact O-CG 3.44Å; D499-Q503 PolarHBondContact O-N 3.32Å |
| 500 | E | 91.7 | Very high | 77.8 | Confident | 98 Ų | 98 | 125.9 Ų | 125.9 | 46% | 0.458 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.9 | -43 | 168.8 | -72.3 | 175.5 | -167.8 | 0 | 0 | 111.2 | Q496 C497 R502 Q503 L504 | Q496-E500 PolarHBondContact NE2-OE1 2.95Å; Q496-E500 VanDerWaalsContact NE2-OE1 3.16Å; Q496-E500 WeakPolarHBondContact O-CG 3.44Å; Q496-E500 PolarHBondContact O-N 3.4Å; C497-E500 PolarHBondContact O-N 3.44Å; E500-R502 VanDerWaalsContact C-N 3.32Å; E500-R502 PolarHBondContact O-N 2.92Å; E500-Q503 PolarHBondContact O-N 2.89Å; E500-L504 WeakPolarHBondContact O-CG 3.47Å; E500-L504 PolarHBondContact O-N 3.28Å |
| 501 | L | 78.6 | Confident | 75.9 | Confident | 119 Ų | 119 | 128.7 Ų | 128.7 | 62% | 0.623 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.2 | -40.1 | 174.9 | -139.2 | 84.5 | 0 | 0 | 0 | 111.6 | C497 R498 D499 L504 S505 | C497-L501 WeakPolarHBondContact O-CB 3.42Å; C497-L501 PolarHBondContact O-N 3.36Å; R498-L501 WeakPolarHBondContact O-CB 3.25Å; R498-L501 PolarHBondContact O-N 2.97Å; D499-L501 VanDerWaalsContact C-N 3.33Å; D499-L501 PolarHBondContact O-N 3.07Å; L501-L504 PolarHBondContact O-N 3.45Å; L501-S505 WeakPolarHBondContact O-CB 3.47Å; L501-S505 PolarHBondContact O-N 2.98Å |
| 502 | R | 80.3 | Confident | 73.8 | Confident | 131 Ų | 131 | 130.4 Ų | 130.4 | 49% | 0.494 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63.4 | -44.3 | 174.6 | -75.1 | 170.2 | 178.5 | 167.7 | -7.1 | 111 | R498 D499 E500 L504 S505 H506 | R498-R502 WeakPolarHBondContact O-CG 3.4Å; R498-R502 PolarHBondContact O-N 3.34Å; D499-R502 WeakPolarHBondContact O-CB 3.35Å; D499-R502 PolarHBondContact O-N 3.06Å; D499-R502 IonicContact OD1-CZ 2.87Å; D499-R502 IonicContact OD1-NH1 3.9Å; D499-R502 PolarHBondContact OD1-NH1 3.09Å; E500-R502 VanDerWaalsContact C-N 3.32Å; E500-R502 PolarHBondContact O-N 2.92Å; R502-L504 PolarHBondContact O-N 3Å; R502-S505 WeakPolarHBondContact CA-OG 3.23Å; R502-S505 PolarHBondContact O-N 3.34Å; R502-S505 VanDerWaalsContact O-N 3.16Å; R502-S505 PolarHBondContact O-OG 2.87Å; R502-H506 PolarHBondContact O-CD2 2.89Å; R502-H506 PolarHBondContact O-N 3.36Å |
| 503 | Q | 82.3 | Confident | 71.7 | Confident | 138 Ų | 138 | 135.5 Ų | 135.5 | 65% | 0.645 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -61.2 | -42.7 | 176.6 | -73 | -177.4 | 4.4 | 0 | 0 | 112.3 | D499 E500 H506 R507 | D499-Q503 WeakPolarHBondContact O-CG 3.44Å; D499-Q503 PolarHBondContact O-N 3.32Å; E500-Q503 PolarHBondContact O-N 2.89Å; Q503-H506 PolarHBondContact O-N 3.45Å; Q503-R507 PolarHBondContact O-N 3.24Å |
| 504 | L | 73.2 | Confident | 69.7 | Low | 110 Ų | 110 | 131.6 Ų | 131.6 | 58% | 0.576 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.7 | -39.3 | 173.9 | -68.6 | 176.6 | 0 | 0 | 0 | 111.8 | E500 L501 R502 H506 R507 R508 | E500-L504 WeakPolarHBondContact O-CG 3.47Å; E500-L504 PolarHBondContact O-N 3.28Å; L501-L504 PolarHBondContact O-N 3.45Å; R502-L504 PolarHBondContact O-N 3Å; L504-H506 VanDerWaalsContact C-N 3.35Å; L504-H506 PolarHBondContact O-N 2.89Å; L504-R507 PolarHBondContact O-N 3.49Å; L504-R508 PolarHBondContact O-N 2.98Å |
| 505 | S | 69.4 | Low | 67.9 | Low | 52 Ų | 52 | 129.4 Ų | 129.4 | 36% | 0.364 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.7 | -36.3 | 176.2 | 82.3 | 0 | 0 | 0 | 0 | 112.6 | L501 R502 R508 R509 | L501-S505 WeakPolarHBondContact O-CB 3.47Å; L501-S505 PolarHBondContact O-N 2.98Å; R502-S505 WeakPolarHBondContact CA-OG 3.23Å; R502-S505 PolarHBondContact O-N 3.34Å; R502-S505 VanDerWaalsContact O-N 3.16Å; R502-S505 PolarHBondContact O-OG 2.87Å; S505-R508 CarbonylContact O-C 3.04Å; S505-R508 PolarHBondContact O-N 3.44Å; S505-R509 PolarHBondContact O-N 3.31Å |
| 506 | H | 61.1 | Low | 66.6 | Low | 123 Ų | 123 | 129.5 Ų | 129.5 | 57% | 0.569 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -71.3 | -35.7 | 174.9 | -76.9 | -61.5 | 0 | 0 | 0 | 111.9 | R502 Q503 L504 R508 R509 | R502-H506 PolarHBondContact O-CD2 2.89Å; R502-H506 PolarHBondContact O-N 3.36Å; Q503-H506 PolarHBondContact O-N 3.45Å; L504-H506 VanDerWaalsContact C-N 3.35Å; L504-H506 PolarHBondContact O-N 2.89Å; H506-R508 VanDerWaalsContact C-N 3.28Å; H506-R508 PolarHBondContact O-N 2.69Å; H506-R509 PolarHBondContact O-N 2.92Å; H506-R509 VanDerWaalsContact O-N 3.17Å |
| 507 | R | 55.7 | Low | 65.2 | Low | 205 Ų | 205 | 133 Ų | 133 | 77% | 0.774 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -62.4 | -35.2 | 168.2 | -78.5 | -175.4 | 177.9 | -173.3 | 0.9 | 112.1 | Q503 L504 R509 | Q503-R507 PolarHBondContact O-N 3.24Å; L504-R507 PolarHBondContact O-N 3.49Å; R507-R509 VanDerWaalsContact C-N 3.3Å; R507-R509 PolarHBondContact O-N 3.12Å |
| 508 | R | 51.7 | Low | 64.5 | Low | 230 Ų | 230 | 138.6 Ų | 138.6 | 87% | 0.868 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -75.2 | -14.9 | 175.4 | -151.4 | 176.7 | -166.2 | -172.2 | 4.6 | 113.8 | L504 S505 H506 | L504-R508 PolarHBondContact O-N 2.98Å; S505-R508 CarbonylContact O-C 3.04Å; S505-R508 PolarHBondContact O-N 3.44Å; H506-R508 VanDerWaalsContact C-N 3.28Å; H506-R508 PolarHBondContact O-N 2.69Å |
| 509 | R | 46.3 | Very low | 64 | Low | 201 Ų | 201 | 138.9 Ų | 138.9 | 76% | 0.758 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | 26.9 | 175.9 | -78.7 | -169.4 | -175.6 | -172.6 | 4.1 | 113.9 | S505 H506 R507 | S505-R509 PolarHBondContact O-N 3.31Å; H506-R509 PolarHBondContact O-N 2.92Å; H506-R509 VanDerWaalsContact O-N 3.17Å; R507-R509 VanDerWaalsContact C-N 3.3Å; R507-R509 PolarHBondContact O-N 3.12Å |
| 510 | R | 43.6 | Very low | 63.5 | Low | 208 Ų | 208 | 139 Ų | 139 | 79% | 0.785 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -71.7 | 124.9 | 149.8 | -75.8 | -175.8 | 177.3 | -177.3 | -0.6 | 106.6 | M512 | R510-M512 PolarHBondContact O-N 3.42Š|
| 511 | P | 45.9 | Very low | 62.9 | Low | 114 Ų | 114 | 137.6 Ų | 137.6 | 74% | 0.74 | 64% | 0.639 | S | S | * | * | trans | -64 | 103 | -179 | 25.9 | -31.3 | 0 | 0 | 0 | 108 | L513 | P511-L513 PolarHBondContact O-N 2.95Š| ||
| 512 | M | 45.8 | Very low | 63.3 | Low | 164 Ų | 164 | 135.7 Ų | 135.7 | 81% | 0.808 | 63% | 0.629 | S | S | * | * | trans | -58.3 | 124 | 157.1 | -80.4 | -177.9 | 159.7 | 0 | 0 | 106.1 | R510 C514 S515 | R510-M512 PolarHBondContact O-N 3.42Å; M512-C514 PolarHBondContact O-N 3.45Å; M512-S515 PolarHBondContact O-N 2.95Å | ||
| 513 | L | 48.1 | Very low | 63.7 | Low | 162 Ų | 162 | 136.2 Ų | 136.2 | 85% | 0.848 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | 2.8 | 178.8 | -79 | 84 | 0 | 0 | 0 | 114.1 | P511 | P511-L513 PolarHBondContact O-N 2.95Š|
| 514 | C | 52.3 | Low | 64 | Low | 99 Ų | 99 | 135.9 Ų | 135.9 | 67% | 0.669 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -1.6 | -180 | -85.2 | 0 | 0 | 0 | 0 | 116.1 | M512 S516 | M512-C514 PolarHBondContact O-N 3.45Å; C514-S516 VanDerWaalsContact C-N 3.33Å |
| 515 | S | 51.7 | Low | 64.8 | Low | 76 Ų | 76 | 136 Ų | 136 | 53% | 0.531 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -75.3 | -22.8 | 176.9 | 75.3 | 0 | 0 | 0 | 0 | 113.5 | M512 R519 | M512-S515 PolarHBondContact O-N 2.95Å; S515-R519 WeakPolarHBondContact O-CG 3.48Å |
| 516 | S | 60.3 | Low | 66 | Low | 63 Ų | 63 | 138.8 Ų | 138.8 | 44% | 0.441 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -73.8 | -41 | -177.9 | -173.7 | 0 | 0 | 0 | 0 | 112.1 | C514 W518 R519 I520 | C514-S516 VanDerWaalsContact C-N 3.33Å; S516-W518 PolarHBondContact O-N 2.92Å; S516-R519 PolarHBondContact O-N 3.33Å; S516-I520 WeakPolarHBondContact O-CD1 3.31Å; S516-I520 VanDerWaalsContact O-CG1 3.24Å; S516-I520 WeakPolarHBondContact O-CG1 3.45Å; S516-I520 PolarHBondContact O-N 2.93Å |
| 517 | W | 62.9 | Low | 67.5 | Low | 190 Ų | 190 | 138.2 Ų | 138.2 | 72% | 0.72 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65.9 | -37 | -176.2 | -74.8 | 78.8 | 0 | 0 | 0 | 113.1 | I520 C521 | W517-I520 PolarHBondContact O-N 3.28Å; W517-C521 WeakPolarHBondContact O-CB 3.42Å; W517-C521 PolarHBondContact O-N 3.08Å |
| 518 | W | 72.8 | Confident | 69.2 | Low | 186 Ų | 186 | 134.2 Ų | 134.2 | 71% | 0.705 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.2 | -36.5 | 177.5 | -162.6 | 58 | 0 | 0 | 0 | 112 | S516 I520 C521 L522 | S516-W518 PolarHBondContact O-N 2.92Å; W518-I520 VanDerWaalsContact C-N 3.35Å; W518-C521 PolarHBondContact O-N 3.3Å; W518-L522 HydrophobicContact CD2-CD1 3.98Å; W518-L522 HydrophobicContact CE3-CD1 3.91Å; W518-L522 HydrophobicContact CH2-CD1 4.15Å; W518-L522 HydrophobicContact CZ2-CD1 4.21Å; W518-L522 HydrophobicContact CZ3-CD1 4Å; W518-L522 WeakPolarHBondContact O-CB 3.3Å; W518-L522 VanDerWaalsContact O-CG 3.31Å; W518-L522 WeakPolarHBondContact O-CG 3.44Å; W518-L522 PolarHBondContact O-N 2.96Å |
| 519 | R | 79 | Confident | 71.2 | Confident | 173 Ų | 173 | 126 Ų | 126 | 65% | 0.653 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.7 | -39.4 | 172.6 | -69.4 | -179.4 | -178.4 | -172.8 | 0.2 | 112 | S515 S516 L522 F523 | S515-R519 WeakPolarHBondContact O-CG 3.48Å; S516-R519 PolarHBondContact O-N 3.33Å; R519-L522 PolarHBondContact O-N 3.44Å; R519-F523 PolarHBondContact O-N 3.24Å |
| 520 | I | 81 | Confident | 73.3 | Confident | 76 Ų | 76 | 120.9 Ų | 120.9 | 39% | 0.39 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.8 | -45.9 | 175.4 | -67.9 | 164 | 0 | 0 | 0 | 110.3 | S516 W517 W518 L522 F523 F524 | S516-I520 WeakPolarHBondContact O-CD1 3.31Å; S516-I520 VanDerWaalsContact O-CG1 3.24Å; S516-I520 WeakPolarHBondContact O-CG1 3.45Å; S516-I520 PolarHBondContact O-N 2.93Å; W517-I520 PolarHBondContact O-N 3.28Å; W518-I520 VanDerWaalsContact C-N 3.35Å; I520-L522 VanDerWaalsContact C-N 3.35Å; I520-L522 PolarHBondContact O-N 3.45Å; I520-F523 PolarHBondContact O-N 3.32Å; I520-F524 HydrophobicContact CG2-CD2 3.58Å; I520-F524 HydrophobicContact CG2-CE2 3.51Å; I520-F524 VanDerWaalsContact O-CD2 3.25Å; I520-F524 WeakPolarHBondContact O-CD2 3.39Å; I520-F524 PolarHBondContact O-N 2.88Å |
| 521 | C | 78.9 | Confident | 75.6 | Confident | 69 Ų | 69 | 113.3 Ų | 113.3 | 47% | 0.466 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -59.4 | -42.6 | 175 | -83.8 | 0 | 0 | 0 | 0 | 112.8 | W517 W518 F524 L525 | W517-C521 WeakPolarHBondContact O-CB 3.42Å; W517-C521 PolarHBondContact O-N 3.08Å; W518-C521 PolarHBondContact O-N 3.3Å; C521-F524 PolarHBondContact O-N 2.91Å; C521-L525 WeakPolarHBondContact O-CB 3.29Å; C521-L525 WeakPolarHBondContact O-CG 3.48Å; C521-L525 PolarHBondContact O-N 2.91Å |
| 522 | L | 86.5 | Confident | 77.7 | Confident | 79 Ų | 79 | 109.4 Ų | 109.4 | 41% | 0.414 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.3 | -40.6 | 176.4 | -73.3 | 170.6 | 0 | 0 | 0 | 111.7 | W518 R519 I520 L525 L526 | W518-L522 HydrophobicContact CD2-CD1 3.98Å; W518-L522 HydrophobicContact CE3-CD1 3.91Å; W518-L522 HydrophobicContact CH2-CD1 4.15Å; W518-L522 HydrophobicContact CZ2-CD1 4.21Å; W518-L522 HydrophobicContact CZ3-CD1 4Å; W518-L522 WeakPolarHBondContact O-CB 3.3Å; W518-L522 VanDerWaalsContact O-CG 3.31Å; W518-L522 WeakPolarHBondContact O-CG 3.44Å; W518-L522 PolarHBondContact O-N 2.96Å; R519-L522 PolarHBondContact O-N 3.44Å; I520-L522 VanDerWaalsContact C-N 3.35Å; I520-L522 PolarHBondContact O-N 3.45Å; L522-L525 PolarHBondContact O-N 2.8Å; L522-L526 WeakPolarHBondContact O-CB 3.42Å; L522-L526 PolarHBondContact O-N 3.46Å |
| 523 | F | 89.9 | Confident | 79.6 | Confident | 142 Ų | 142 | 105.2 Ų | 105.2 | 62% | 0.623 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.2 | -43.5 | 173.8 | -108.6 | -84.7 | 0 | 0 | 0 | 112.3 | R519 I520 L526 L527 | R519-F523 PolarHBondContact O-N 3.24Å; I520-F523 PolarHBondContact O-N 3.32Å; F523-L526 PolarHBondContact O-N 3.42Å; F523-L527 WeakPolarHBondContact O-CB 3.47Å; F523-L527 PolarHBondContact O-N 3.31Å |
| 524 | F | 88.6 | Confident | 81.3 | Confident | 132 Ų | 132 | 100.2 Ų | 100.2 | 58% | 0.579 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66 | -38.8 | 176.8 | -86.6 | -71.2 | 0 | 0 | 0 | 112.7 | I520 C521 L527 L528 | I520-F524 HydrophobicContact CG2-CD2 3.58Å; I520-F524 HydrophobicContact CG2-CE2 3.51Å; I520-F524 VanDerWaalsContact O-CD2 3.25Å; I520-F524 WeakPolarHBondContact O-CD2 3.39Å; I520-F524 PolarHBondContact O-N 2.88Å; C521-F524 PolarHBondContact O-N 2.91Å; F524-L527 PolarHBondContact O-N 3.22Å; F524-L528 WeakPolarHBondContact O-CB 3.31Å; F524-L528 WeakPolarHBondContact O-CG 3.39Å; F524-L528 PolarHBondContact O-N 2.98Å |
| 525 | L | 90 | Very high | 82.8 | Confident | 112 Ų | 112 | 100.2 Ų | 100.2 | 59% | 0.586 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.9 | -41.4 | 174.6 | -76 | 168.2 | 0 | 0 | 0 | 111.6 | C521 L522 L528 A529 | C521-L525 WeakPolarHBondContact O-CB 3.29Å; C521-L525 WeakPolarHBondContact O-CG 3.48Å; C521-L525 PolarHBondContact O-N 2.91Å; L522-L525 PolarHBondContact O-N 2.8Å; L525-L528 PolarHBondContact O-N 2.69Å; L525-A529 WeakPolarHBondContact O-CB 3.29Å; L525-A529 PolarHBondContact O-N 3.12Å |
| 526 | L | 93.3 | Very high | 84.3 | Confident | 110 Ų | 110 | 101 Ų | 101 | 58% | 0.576 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.1 | -44.2 | 175 | -168.2 | 75.3 | 0 | 0 | 0 | 111.1 | L522 F523 L528 A529 V530 | L522-L526 WeakPolarHBondContact O-CB 3.42Å; L522-L526 PolarHBondContact O-N 3.46Å; F523-L526 PolarHBondContact O-N 3.42Å; L526-L528 PolarHBondContact O-N 3.23Å; L526-A529 PolarHBondContact O-N 3.46Å; L526-V530 WeakPolarHBondContact O-CG2 3.49Å; L526-V530 PolarHBondContact O-N 3.09Å |
| 527 | L | 92.6 | Very high | 85.2 | Confident | 112 Ų | 112 | 102.2 Ų | 102.2 | 59% | 0.586 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.9 | -41.5 | 177.3 | -116.1 | 143.7 | 0 | 0 | 0 | 112.2 | F523 F524 V530 A531 | F523-L527 WeakPolarHBondContact O-CB 3.47Å; F523-L527 PolarHBondContact O-N 3.31Å; F524-L527 PolarHBondContact O-N 3.22Å; L527-V530 PolarHBondContact O-N 3.38Å; L527-A531 VanDerWaalsContact O-CB 3.28Å; L527-A531 WeakPolarHBondContact O-CB 3.43Å; L527-A531 PolarHBondContact O-N 3.01Å |
| 528 | L | 92.4 | Very high | 86 | Confident | 121 Ų | 121 | 96.8 Ų | 96.8 | 63% | 0.634 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.5 | -38.2 | 175.5 | -77.1 | 166.7 | 0 | 0 | 0 | 112.2 | F524 L525 L526 G532 | F524-L528 WeakPolarHBondContact O-CB 3.31Å; F524-L528 WeakPolarHBondContact O-CG 3.39Å; F524-L528 PolarHBondContact O-N 2.98Å; L525-L528 PolarHBondContact O-N 2.69Å; L526-L528 PolarHBondContact O-N 3.23Å; L528-G532 PolarHBondContact O-N 3.31Å |
| 529 | A | 92.5 | Very high | 86.2 | Confident | 56 Ų | 56 | 97.9 Ų | 97.9 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.7 | -47 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L525 L526 G532 V533 | L525-A529 WeakPolarHBondContact O-CB 3.29Å; L525-A529 PolarHBondContact O-N 3.12Å; L526-A529 PolarHBondContact O-N 3.46Å; A529-G532 PolarHBondContact O-N 2.89Å; A529-V533 WeakPolarHBondContact O-CG2 3.48Å; A529-V533 PolarHBondContact O-N 3.43Å |
| 530 | V | 91.4 | Very high | 86.1 | Confident | 95 Ų | 95 | 94.5 Ų | 94.5 | 58% | 0.576 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.8 | -44 | 177.3 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | L526 L527 G532 V533 A534 | L526-V530 WeakPolarHBondContact O-CG2 3.49Å; L526-V530 PolarHBondContact O-N 3.09Å; L527-V530 PolarHBondContact O-N 3.38Å; V530-G532 VanDerWaalsContact C-N 3.33Å; V530-G532 PolarHBondContact O-N 3.09Å; V530-V533 PolarHBondContact O-N 3.28Å; V530-A534 WeakPolarHBondContact O-CB 3.45Å; V530-A534 PolarHBondContact O-N 3.45Å |
| 531 | A | 91.8 | Very high | 85.8 | Confident | 48 Ų | 48 | 95.2 Ų | 95.2 | 40% | 0.397 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L527 A534 M535 | L527-A531 VanDerWaalsContact O-CB 3.28Å; L527-A531 WeakPolarHBondContact O-CB 3.43Å; L527-A531 PolarHBondContact O-N 3.01Å; A531-A534 PolarHBondContact O-N 3.25Å; A531-M535 WeakPolarHBondContact O-CB 3.43Å; A531-M535 WeakPolarHBondContact O-CG 3.37Å; A531-M535 PolarHBondContact O-N 2.96Å |
| 532 | G | 89.4 | Confident | 85.7 | Confident | 32 Ų | 32 | 94.9 Ų | 94.9 | 33% | 0.33 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L528 A529 V530 M535 L536 | L528-G532 PolarHBondContact O-N 3.31Å; A529-G532 PolarHBondContact O-N 2.89Å; V530-G532 VanDerWaalsContact C-N 3.33Å; V530-G532 PolarHBondContact O-N 3.09Å; G532-M535 PolarHBondContact O-N 2.92Å; G532-L536 WeakPolarHBondContact O-CD1 3.3Å; G532-L536 PolarHBondContact O-N 2.77Å |
| 533 | V | 85.6 | Confident | 85.2 | Confident | 77 Ų | 77 | 93.8 Ų | 93.8 | 47% | 0.467 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 175 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | A529 V530 M535 L536 W537 | A529-V533 WeakPolarHBondContact O-CG2 3.48Å; A529-V533 PolarHBondContact O-N 3.43Å; V530-V533 PolarHBondContact O-N 3.28Å; V533-M535 VanDerWaalsContact C-N 3.35Å; V533-M535 PolarHBondContact O-N 2.95Å; V533-L536 PolarHBondContact O-N 2.93Å; V533-W537 WeakPolarHBondContact O-CB 3.47Å; V533-W537 PolarHBondContact O-N 2.85Å |
| 534 | A | 84.6 | Confident | 84.6 | Confident | 56 Ų | 56 | 92.5 Ų | 92.5 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V530 A531 W537 S538 | V530-A534 WeakPolarHBondContact O-CB 3.45Å; V530-A534 PolarHBondContact O-N 3.45Å; A531-A534 PolarHBondContact O-N 3.25Å; A534-W537 WeakPolarHBondContact O-CB 3.49Å; A534-W537 PolarHBondContact O-N 3.23Å; A534-S538 WeakPolarHBondContact O-CB 3.38Å; A534-S538 PolarHBondContact O-N 3.4Å; A534-S538 PolarHBondContact O-OG 2.89Å |
| 535 | M | 84.1 | Confident | 84.2 | Confident | 100 Ų | 100 | 92.4 Ų | 92.4 | 49% | 0.493 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.3 | -46.5 | 174.2 | -74.1 | -64.3 | -64.3 | 0 | 0 | 111.1 | A531 G532 V533 W537 S538 W539 | A531-M535 WeakPolarHBondContact O-CB 3.43Å; A531-M535 WeakPolarHBondContact O-CG 3.37Å; A531-M535 PolarHBondContact O-N 2.96Å; G532-M535 PolarHBondContact O-N 2.92Å; V533-M535 VanDerWaalsContact C-N 3.35Å; V533-M535 PolarHBondContact O-N 2.95Å; M535-W537 VanDerWaalsContact C-N 3.27Å; M535-W537 PolarHBondContact O-N 3.01Å; M535-S538 PolarHBondContact O-N 2.93Å; M535-S538 PolarHBondContact O-OG 2.93Å; M535-W539 HydrophobicContact CE-CD2 4.46Å; M535-W539 WeakPolarHBondContact O-CB 3.27Å; M535-W539 PolarHBondContact O-N 3.33Å |
| 536 | L | 82.9 | Confident | 83.7 | Confident | 91 Ų | 91 | 93.5 Ų | 93.5 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58 | -41 | 173.1 | -102.9 | 83.6 | 0 | 0 | 0 | 111.8 | G532 V533 S538 H540 F543 | G532-L536 WeakPolarHBondContact O-CD1 3.3Å; G532-L536 PolarHBondContact O-N 2.77Å; V533-L536 PolarHBondContact O-N 2.93Å; L536-S538 VanDerWaalsContact C-N 3.33Å; L536-S538 PolarHBondContact O-N 3.32Å; L536-H540 WeakPolarHBondContact O-CB 3.44Å; L536-H540 PolarHBondContact O-N 2.89Å; L536-F543 HydrophobicContact CB-CD1 4.09Å; L536-F543 HydrophobicContact CB-CE1 4.12Å; L536-F543 HydrophobicContact CD2-CD2 4.37Å; L536-F543 HydrophobicContact CD2-CE1 4.46Å; L536-F543 HydrophobicContact CD2-CE2 4.31Å; L536-F543 HydrophobicContact CD2-CG 4.46Å; L536-F543 HydrophobicContact CD2-CZ 4.36Å |
| 537 | W | 79.3 | Confident | 83 | Confident | 89 Ų | 89 | 89.6 Ų | 89.6 | 34% | 0.337 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 177.3 | -156.8 | -75.8 | 0 | 0 | 0 | 112.7 | V533 A534 M535 F543 R544 V547 | V533-W537 WeakPolarHBondContact O-CB 3.47Å; V533-W537 PolarHBondContact O-N 2.85Å; A534-W537 WeakPolarHBondContact O-CB 3.49Å; A534-W537 PolarHBondContact O-N 3.23Å; M535-W537 VanDerWaalsContact C-N 3.27Å; M535-W537 PolarHBondContact O-N 3.01Å; W537-F543 HydrophobicContact CE3-CE1 4.19Å; W537-R544 HydrophobicContact CZ2-CG 4.37Å; W537-V547 HydrophobicContact CH2-CB 3.6Å; W537-V547 HydrophobicContact CH2-CG1 3.42Å; W537-V547 VanDerWaalsContact CH2-CG1 3.42Å; W537-V547 HydrophobicContact CH2-CG2 4.41Å; W537-V547 HydrophobicContact CZ3-CB 3.57Å; W537-V547 HydrophobicContact CZ3-CG1 3.4Å; W537-V547 VanDerWaalsContact CZ3-CG1 3.4Å; W537-V547 HydrophobicContact CZ3-CG2 3.89Å |
| 538 | S | 78.6 | Confident | 82.5 | Confident | 77 Ų | 77 | 88.4 Ų | 88.4 | 54% | 0.538 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -82.2 | -27.1 | -177.7 | 68.7 | 0 | 0 | 0 | 0 | 114.2 | A534 M535 L536 | A534-S538 WeakPolarHBondContact O-CB 3.38Å; A534-S538 PolarHBondContact O-N 3.4Å; A534-S538 PolarHBondContact O-OG 2.89Å; M535-S538 PolarHBondContact O-N 2.93Å; M535-S538 PolarHBondContact O-OG 2.93Å; L536-S538 VanDerWaalsContact C-N 3.33Å; L536-S538 PolarHBondContact O-N 3.32Å |
| 539 | W | 78.3 | Confident | 82.2 | Confident | 209 Ų | 209 | 87.7 Ų | 87.7 | 79% | 0.792 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -108.6 | -15.4 | -172.6 | -84.5 | 25.4 | 0 | 0 | 0 | 114.4 | M535 | M535-W539 HydrophobicContact CE-CD2 4.46Å; M535-W539 WeakPolarHBondContact O-CB 3.27Å; M535-W539 PolarHBondContact O-N 3.33Å |
| 540 | H | 77 | Confident | 81.8 | Confident | 102 Ų | 102 | 89.8 Ų | 89.8 | 47% | 0.472 | 48% | 0.476 | S | S | . | . | trans | -123.2 | 91.3 | -177 | -158.7 | -86.6 | 0 | 0 | 0 | 111.8 | L536 P542 F543 | L536-H540 WeakPolarHBondContact O-CB 3.44Å; L536-H540 PolarHBondContact O-N 2.89Å; H540-P542 VanDerWaalsContact C-CD 3.42Å; H540-P542 WeakPolarHBondContact ND1-CD 3.29Å; H540-F543 HydrophobicContact CB-CB 4.14Å; H540-F543 PolarHBondContact ND1-N 3.46Å; H540-F543 WeakPolarHBondContact O-CB 3.33Å; H540-F543 PolarHBondContact O-N 3.06Å | ||
| 541 | P | 73.4 | Confident | 81.4 | Confident | 90 Ų | 90 | 88.5 Ų | 88.5 | 58% | 0.584 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -53.4 | -40.2 | -178.2 | -21.6 | 29.8 | 0 | 0 | 0 | 115.3 | F543 R544 E545 | P541-F543 PolarHBondContact O-N 2.97Å; P541-R544 WeakPolarHBondContact O-CB 3.26Å; P541-R544 PolarHBondContact O-N 3.46Å; P541-E545 PolarHBondContact O-N 3.37Å |
| 542 | P | 77.8 | Confident | 81.1 | Confident | 63 Ų | 63 | 88.5 Ų | 88.5 | 41% | 0.409 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.5 | -25.2 | 177.5 | -17.4 | 25.5 | 0 | 0 | 0 | 114.2 | H540 Q546 | H540-P542 VanDerWaalsContact C-CD 3.42Å; H540-P542 WeakPolarHBondContact ND1-CD 3.29Å; P542-Q546 WeakPolarHBondContact O-CG 3.48Å; P542-Q546 PolarHBondContact O-N 3.36Å |
| 543 | F | 76.5 | Confident | 81.1 | Confident | 55 Ų | 55 | 90.8 Ų | 90.8 | 24% | 0.241 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -74.5 | -36.8 | 178.7 | -179.2 | -102.6 | 0 | 0 | 0 | 110.5 | L536 W537 H540 P541 Q546 V547 | L536-F543 HydrophobicContact CB-CD1 4.09Å; L536-F543 HydrophobicContact CB-CE1 4.12Å; L536-F543 HydrophobicContact CD2-CD2 4.37Å; L536-F543 HydrophobicContact CD2-CE1 4.46Å; L536-F543 HydrophobicContact CD2-CE2 4.31Å; L536-F543 HydrophobicContact CD2-CG 4.46Å; L536-F543 HydrophobicContact CD2-CZ 4.36Å; W537-F543 HydrophobicContact CE3-CE1 4.19Å; H540-F543 HydrophobicContact CB-CB 4.14Å; H540-F543 PolarHBondContact ND1-N 3.46Å; H540-F543 WeakPolarHBondContact O-CB 3.33Å; H540-F543 PolarHBondContact O-N 3.06Å; P541-F543 PolarHBondContact O-N 2.97Å; F543-Q546 PolarHBondContact O-N 3.33Å; F543-V547 HydrophobicContact CD1-CG2 4.23Å; F543-V547 HydrophobicContact CD2-CG2 4.49Å; F543-V547 HydrophobicContact CE1-CG2 3.84Å; F543-V547 HydrophobicContact CE2-CG2 4.12Å; F543-V547 HydrophobicContact CZ-CG2 3.78Å; F543-V547 WeakPolarHBondContact O-CG2 3.46Å; F543-V547 PolarHBondContact O-N 3.3Å |
| 544 | R | 75.6 | Confident | 81.1 | Confident | 116 Ų | 116 | 91 Ų | 91 | 44% | 0.438 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.1 | -47.1 | 175 | -172.4 | 178.9 | -163.6 | -73.9 | -10.2 | 111.6 | W537 P541 V547 E548 | W537-R544 HydrophobicContact CZ2-CG 4.37Å; P541-R544 WeakPolarHBondContact O-CB 3.26Å; P541-R544 PolarHBondContact O-N 3.46Å; R544-V547 PolarHBondContact O-N 2.89Å; R544-E548 IonicContact CZ-OE1 3.22Å; R544-E548 IonicContact NH1-OE1 2.66Å; R544-E548 PolarHBondContact NH1-OE1 2.88Å; R544-E548 IonicContact NH1-OE2 3.65Å; R544-E548 IonicContact NH2-OE1 3.52Å; R544-E548 WeakPolarHBondContact O-CB 3.38Å; R544-E548 WeakPolarHBondContact O-CG 3.41Å; R544-E548 PolarHBondContact O-N 3.29Å |
| 545 | E | 81.4 | Confident | 81.3 | Confident | 130 Ų | 130 | 94 Ų | 94 | 61% | 0.607 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.8 | -40.4 | 178.2 | -67.8 | 177.7 | -177.3 | 0 | 0 | 112 | P541 V547 E548 V549 | P541-E545 PolarHBondContact O-N 3.37Å; E545-V547 PolarHBondContact O-N 2.92Å; E545-E548 PolarHBondContact O-N 2.91Å; E545-V549 WeakPolarHBondContact O-CG2 3.28Å; E545-V549 PolarHBondContact O-N 3.39Å |
| 546 | Q | 79.1 | Confident | 81.5 | Confident | 134 Ų | 134 | 92.3 Ų | 92.3 | 63% | 0.626 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.8 | -38.2 | 176.6 | -75.7 | 176.9 | -1.8 | 0 | 0 | 112.9 | P542 F543 L550 | P542-Q546 WeakPolarHBondContact O-CG 3.48Å; P542-Q546 PolarHBondContact O-N 3.36Å; F543-Q546 PolarHBondContact O-N 3.33Å; Q546-L550 PolarHBondContact O-N 3.39Å; Q546-L550 VanDerWaalsContact O-N 3.1Å |
| 547 | V | 79.7 | Confident | 81.6 | Confident | 28 Ų | 28 | 95.1 Ų | 95.1 | 17% | 0.17 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -76.6 | -34 | 177.5 | -173.6 | 0 | 0 | 0 | 0 | 111.6 | W537 F543 R544 E545 V549 L550 C551 | W537-V547 HydrophobicContact CH2-CB 3.6Å; W537-V547 HydrophobicContact CH2-CG1 3.42Å; W537-V547 VanDerWaalsContact CH2-CG1 3.42Å; W537-V547 HydrophobicContact CH2-CG2 4.41Å; W537-V547 HydrophobicContact CZ3-CB 3.57Å; W537-V547 HydrophobicContact CZ3-CG1 3.4Å; W537-V547 VanDerWaalsContact CZ3-CG1 3.4Å; W537-V547 HydrophobicContact CZ3-CG2 3.89Å; F543-V547 HydrophobicContact CD1-CG2 4.23Å; F543-V547 HydrophobicContact CD2-CG2 4.49Å; F543-V547 HydrophobicContact CE1-CG2 3.84Å; F543-V547 HydrophobicContact CE2-CG2 4.12Å; F543-V547 HydrophobicContact CZ-CG2 3.78Å; F543-V547 WeakPolarHBondContact O-CG2 3.46Å; F543-V547 PolarHBondContact O-N 3.3Å; R544-V547 PolarHBondContact O-N 2.89Å; E545-V547 PolarHBondContact O-N 2.92Å; V547-V549 VanDerWaalsContact C-N 3.32Å; V547-V549 PolarHBondContact O-N 3.12Å; V547-L550 PolarHBondContact O-N 3.39Å; V547-C551 WeakPolarHBondContact O-CB 3.42Å; V547-C551 PolarHBondContact O-N 2.9Å; V547-C551 PolarHBondContact O-SG 3.37Å |
| 548 | E | 82 | Confident | 81.8 | Confident | 88 Ų | 88 | 95.2 Ų | 95.2 | 41% | 0.411 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 172.8 | -78 | 177 | 174.9 | 0 | 0 | 111.6 | R544 E545 C551 A552 | R544-E548 IonicContact CZ-OE1 3.22Å; R544-E548 IonicContact NH1-OE1 2.66Å; R544-E548 PolarHBondContact NH1-OE1 2.88Å; R544-E548 IonicContact NH1-OE2 3.65Å; R544-E548 IonicContact NH2-OE1 3.52Å; R544-E548 WeakPolarHBondContact O-CB 3.38Å; R544-E548 WeakPolarHBondContact O-CG 3.41Å; R544-E548 PolarHBondContact O-N 3.29Å; E545-E548 PolarHBondContact O-N 2.91Å; E548-C551 PolarHBondContact O-N 2.91Å; E548-A552 WeakPolarHBondContact O-CB 3.41Å; E548-A552 PolarHBondContact O-N 3Å |
| 549 | V | 86.1 | Confident | 82.2 | Confident | 105 Ų | 105 | 96.6 Ų | 96.6 | 64% | 0.636 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.4 | -42.1 | 173.3 | 172.3 | 0 | 0 | 0 | 0 | 111.7 | E545 V547 A552 D553 | E545-V549 WeakPolarHBondContact O-CG2 3.28Å; E545-V549 PolarHBondContact O-N 3.39Å; V547-V549 VanDerWaalsContact C-N 3.32Å; V547-V549 PolarHBondContact O-N 3.12Å; V549-A552 PolarHBondContact O-N 3.32Å; V549-D553 PolarHBondContact O-N 3.03Å |
| 550 | L | 83.5 | Confident | 82.5 | Confident | 100 Ų | 100 | 91.9 Ų | 91.9 | 52% | 0.524 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 177.7 | -167.2 | 82.8 | 0 | 0 | 0 | 111.9 | Q546 V547 D553 I554 | Q546-L550 PolarHBondContact O-N 3.39Å; Q546-L550 VanDerWaalsContact O-N 3.1Å; V547-L550 PolarHBondContact O-N 3.39Å; L550-D553 PolarHBondContact O-N 2.94Å; L550-I554 HydrophobicContact CD2-CD1 4.26Å; L550-I554 HydrophobicContact CG-CD1 4.03Å; L550-I554 WeakPolarHBondContact O-CB 3.39Å; L550-I554 VanDerWaalsContact O-CG1 3.24Å; L550-I554 WeakPolarHBondContact O-CG1 3.4Å; L550-I554 PolarHBondContact O-N 3.2Å |
| 551 | C | 82.4 | Confident | 82.7 | Confident | 68 Ų | 68 | 94.2 Ų | 94.2 | 46% | 0.459 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 176.4 | -80.3 | 0 | 0 | 0 | 0 | 111.1 | V547 E548 I554 E555 | V547-C551 WeakPolarHBondContact O-CB 3.42Å; V547-C551 PolarHBondContact O-N 2.9Å; V547-C551 PolarHBondContact O-SG 3.37Å; E548-C551 PolarHBondContact O-N 2.91Å; C551-I554 PolarHBondContact O-N 2.83Å; C551-E555 VanDerWaalsContact O-CB 3.31Å; C551-E555 WeakPolarHBondContact O-CB 3.42Å; C551-E555 PolarHBondContact O-N 2.93Å |
| 552 | A | 86.7 | Confident | 83 | Confident | 49 Ų | 49 | 95.5 Ų | 95.5 | 41% | 0.405 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E548 V549 E555 T556 | E548-A552 WeakPolarHBondContact O-CB 3.41Å; E548-A552 PolarHBondContact O-N 3Å; V549-A552 PolarHBondContact O-N 3.32Å; A552-E555 PolarHBondContact O-N 3.46Å; A552-T556 WeakPolarHBondContact O-CG2 3.49Å; A552-T556 PolarHBondContact O-N 3.03Å; A552-T556 PolarHBondContact O-OG1 3.01Å |
| 553 | D | 89.3 | Confident | 83.1 | Confident | 80 Ų | 80 | 99 Ų | 99 | 43% | 0.428 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.8 | -33.9 | 176.6 | -172.4 | 61.2 | 0 | 0 | 0 | 112.9 | V549 L550 T556 R557 | V549-D553 PolarHBondContact O-N 3.03Å; L550-D553 PolarHBondContact O-N 2.94Å; D553-T556 WeakPolarHBondContact CA-OG1 3.28Å; D553-T556 PolarHBondContact O-OG1 2.97Å; D553-R557 WeakPolarHBondContact O-CB 3.19Å; D553-R557 VanDerWaalsContact O-CG 3.3Å; D553-R557 WeakPolarHBondContact O-CG 3.45Å; D553-R557 PolarHBondContact O-N 2.92Å; D553-R557 VanDerWaalsContact O-N 3.13Å; D553-R557 IonicContact OD2-NE 2.8Å |
| 554 | I | 84.8 | Confident | 83.1 | Confident | 82 Ų | 82 | 101.9 Ų | 101.9 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.5 | -41.1 | 174.2 | -68.8 | 165.9 | 0 | 0 | 0 | 110.3 | L550 C551 R557 I558 | L550-I554 HydrophobicContact CD2-CD1 4.26Å; L550-I554 HydrophobicContact CG-CD1 4.03Å; L550-I554 WeakPolarHBondContact O-CB 3.39Å; L550-I554 VanDerWaalsContact O-CG1 3.24Å; L550-I554 WeakPolarHBondContact O-CG1 3.4Å; L550-I554 PolarHBondContact O-N 3.2Å; C551-I554 PolarHBondContact O-N 2.83Å; I554-R557 PolarHBondContact O-N 3.27Å; I554-I558 HydrophobicContact CG2-CD1 3.64Å; I554-I558 HydrophobicContact CG2-CG1 4.31Å; I554-I558 WeakPolarHBondContact O-CB 3.36Å; I554-I558 VanDerWaalsContact O-CG1 3.22Å; I554-I558 WeakPolarHBondContact O-CG1 3.23Å; I554-I558 PolarHBondContact O-N 3Å |
| 555 | E | 88.8 | Confident | 82.7 | Confident | 119 Ų | 119 | 102.3 Ų | 102.3 | 56% | 0.556 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.5 | -47.1 | 178.1 | -171.4 | 167.1 | -158.2 | 0 | 0 | 111 | C551 A552 R557 I558 E559 | C551-E555 VanDerWaalsContact O-CB 3.31Å; C551-E555 WeakPolarHBondContact O-CB 3.42Å; C551-E555 PolarHBondContact O-N 2.93Å; A552-E555 PolarHBondContact O-N 3.46Å; E555-R557 VanDerWaalsContact C-N 3.33Å; E555-R557 PolarHBondContact O-N 2.88Å; E555-I558 PolarHBondContact O-N 3.5Å; E555-I558 VanDerWaalsContact O-N 3.17Å; E555-E559 WeakPolarHBondContact O-CB 3.28Å; E555-E559 WeakPolarHBondContact O-CG 3.31Å; E555-E559 PolarHBondContact O-N 2.9Å |
| 556 | T | 87.8 | Confident | 81.9 | Confident | 63 Ų | 63 | 99.8 Ų | 99.8 | 39% | 0.387 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 175.4 | 55 | 0 | 0 | 0 | 0 | 112 | A552 D553 E559 D560 | A552-T556 WeakPolarHBondContact O-CG2 3.49Å; A552-T556 PolarHBondContact O-N 3.03Å; A552-T556 PolarHBondContact O-OG1 3.01Å; D553-T556 WeakPolarHBondContact CA-OG1 3.28Å; D553-T556 PolarHBondContact O-OG1 2.97Å; T556-E559 PolarHBondContact O-N 3.5Å; T556-D560 WeakPolarHBondContact O-CB 3.31Å; T556-D560 VanDerWaalsContact O-CG 3.22Å; T556-D560 PolarHBondContact O-N 3.16Å |
| 557 | R | 85.2 | Confident | 81.1 | Confident | 150 Ų | 150 | 95.3 Ų | 95.3 | 57% | 0.566 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.8 | -40.9 | 174.5 | -80.3 | 177.9 | 172.5 | -132.1 | -3.9 | 112.8 | D553 I554 E555 E559 D560 Y561 | D553-R557 WeakPolarHBondContact O-CB 3.19Å; D553-R557 VanDerWaalsContact O-CG 3.3Å; D553-R557 WeakPolarHBondContact O-CG 3.45Å; D553-R557 PolarHBondContact O-N 2.92Å; D553-R557 VanDerWaalsContact O-N 3.13Å; D553-R557 IonicContact OD2-NE 2.8Å; I554-R557 PolarHBondContact O-N 3.27Å; E555-R557 VanDerWaalsContact C-N 3.33Å; E555-R557 PolarHBondContact O-N 2.88Å; R557-E559 VanDerWaalsContact C-N 3.34Å; R557-D560 PolarHBondContact O-N 2.92Å; R557-Y561 WeakPolarHBondContact O-CB 3.42Å; R557-Y561 WeakPolarHBondContact O-CD2 3.43Å; R557-Y561 PolarHBondContact O-N 3.42Å |
| 558 | I | 84.5 | Confident | 80.1 | Confident | 91 Ų | 91 | 99.7 Ų | 99.7 | 47% | 0.467 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.3 | -40.9 | 177.3 | -70.8 | 167.9 | 0 | 0 | 0 | 109.9 | I554 E555 Y561 L562 | I554-I558 HydrophobicContact CG2-CD1 3.64Å; I554-I558 HydrophobicContact CG2-CG1 4.31Å; I554-I558 WeakPolarHBondContact O-CB 3.36Å; I554-I558 VanDerWaalsContact O-CG1 3.22Å; I554-I558 WeakPolarHBondContact O-CG1 3.23Å; I554-I558 PolarHBondContact O-N 3Å; E555-I558 PolarHBondContact O-N 3.5Å; E555-I558 VanDerWaalsContact O-N 3.17Å; I558-Y561 PolarHBondContact O-N 3.42Å; I558-L562 HydrophobicContact CG2-CD1 3.84Å; I558-L562 HydrophobicContact CG2-CG 4.33Å; I558-L562 WeakPolarHBondContact O-CB 3.42Å; I558-L562 VanDerWaalsContact O-CG 3.26Å; I558-L562 WeakPolarHBondContact O-CG 3.46Å; I558-L562 PolarHBondContact O-N 2.83Å |
| 559 | E | 86.5 | Confident | 79.1 | Confident | 107 Ų | 107 | 103.8 Ų | 103.8 | 50% | 0.5 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 173.7 | -73.9 | -178.6 | 165.4 | 0 | 0 | 111.3 | E555 T556 R557 Y561 L562 M563 | E555-E559 WeakPolarHBondContact O-CB 3.28Å; E555-E559 WeakPolarHBondContact O-CG 3.31Å; E555-E559 PolarHBondContact O-N 2.9Å; T556-E559 PolarHBondContact O-N 3.5Å; R557-E559 VanDerWaalsContact C-N 3.34Å; E559-Y561 PolarHBondContact O-N 2.79Å; E559-L562 PolarHBondContact O-N 3.38Å; E559-M563 VanDerWaalsContact O-CB 3.31Å; E559-M563 WeakPolarHBondContact O-CB 3.34Å; E559-M563 WeakPolarHBondContact O-CG 3.29Å; E559-M563 PolarHBondContact O-N 3.49Å |
| 560 | D | 84.7 | Confident | 77.6 | Confident | 109 Ų | 109 | 103.5 Ų | 103.5 | 58% | 0.583 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.2 | -44 | 175.3 | -74.3 | -20.9 | 0 | 0 | 0 | 111.5 | T556 R557 M563 E564 | T556-D560 WeakPolarHBondContact O-CB 3.31Å; T556-D560 VanDerWaalsContact O-CG 3.22Å; T556-D560 PolarHBondContact O-N 3.16Å; R557-D560 PolarHBondContact O-N 2.92Å; D560-M563 PolarHBondContact O-N 3.41Å; D560-E564 VanDerWaalsContact O-CB 3.3Å; D560-E564 WeakPolarHBondContact O-CB 3.46Å; D560-E564 PolarHBondContact O-N 3.44Å |
| 561 | Y | 81.1 | Confident | 76 | Confident | 152 Ų | 152 | 104.4 Ų | 104.4 | 60% | 0.596 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.3 | -41.1 | 175.2 | -89.6 | -64.3 | 0 | 0 | 0 | 112.6 | R557 I558 E559 E564 M565 | R557-Y561 WeakPolarHBondContact O-CB 3.42Å; R557-Y561 WeakPolarHBondContact O-CD2 3.43Å; R557-Y561 PolarHBondContact O-N 3.42Å; I558-Y561 PolarHBondContact O-N 3.42Å; E559-Y561 PolarHBondContact O-N 2.79Å; Y561-E564 PolarHBondContact O-N 3.09Å; Y561-M565 WeakPolarHBondContact O-CB 3.34Å; Y561-M565 WeakPolarHBondContact O-CG 3.38Å; Y561-M565 PolarHBondContact O-N 3.05Å |
| 562 | L | 80 | Confident | 74.7 | Confident | 117 Ų | 117 | 104.5 Ų | 104.5 | 61% | 0.613 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.6 | -36.4 | 177.1 | -75.1 | 171.5 | 0 | 0 | 0 | 111.5 | I558 E559 M565 A566 | I558-L562 HydrophobicContact CG2-CD1 3.84Å; I558-L562 HydrophobicContact CG2-CG 4.33Å; I558-L562 WeakPolarHBondContact O-CB 3.42Å; I558-L562 VanDerWaalsContact O-CG 3.26Å; I558-L562 WeakPolarHBondContact O-CG 3.46Å; I558-L562 PolarHBondContact O-N 2.83Å; E559-L562 PolarHBondContact O-N 3.38Å; L562-M565 PolarHBondContact O-N 3.44Å; L562-A566 VanDerWaalsContact O-CB 3.31Å; L562-A566 WeakPolarHBondContact O-CB 3.24Å; L562-A566 PolarHBondContact O-N 3.39Å |
| 563 | M | 78.4 | Confident | 73.1 | Confident | 136 Ų | 136 | 107.7 Ų | 107.7 | 67% | 0.67 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -70 | -36.8 | 174.8 | -72.3 | -61.9 | -66.6 | 0 | 0 | 112 | E559 D560 M565 A566 S567 | E559-M563 VanDerWaalsContact O-CB 3.31Å; E559-M563 WeakPolarHBondContact O-CB 3.34Å; E559-M563 WeakPolarHBondContact O-CG 3.29Å; E559-M563 PolarHBondContact O-N 3.49Å; D560-M563 PolarHBondContact O-N 3.41Å; M563-M565 VanDerWaalsContact C-N 3.35Å; M563-A566 PolarHBondContact O-N 3.36Å; M563-S567 PolarHBondContact O-N 3.27Å |
| 564 | E | 77.6 | Confident | 71 | Confident | 115 Ų | 115 | 113 Ų | 113 | 54% | 0.537 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.6 | -35.2 | 172.7 | -168.3 | 174 | -164.1 | 0 | 0 | 111.8 | D560 Y561 S567 | D560-E564 VanDerWaalsContact O-CB 3.3Å; D560-E564 WeakPolarHBondContact O-CB 3.46Å; D560-E564 PolarHBondContact O-N 3.44Å; Y561-E564 PolarHBondContact O-N 3.09Å; E564-S567 WeakPolarHBondContact O-CB 3.35Å; E564-S567 PolarHBondContact O-N 2.99Å |
| 565 | M | 67.8 | Low | 69 | Low | 126 Ų | 126 | 120.4 Ų | 120.4 | 62% | 0.621 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -73.6 | -26 | 172.7 | -71.3 | -72.5 | -69.4 | 0 | 0 | 113.2 | Y561 L562 M563 | Y561-M565 WeakPolarHBondContact O-CB 3.34Å; Y561-M565 WeakPolarHBondContact O-CG 3.38Å; Y561-M565 PolarHBondContact O-N 3.05Å; L562-M565 PolarHBondContact O-N 3.44Å; M563-M565 VanDerWaalsContact C-N 3.35Å |
| 566 | A | 64 | Low | 67.4 | Low | 76 Ų | 76 | 120.5 Ų | 120.5 | 63% | 0.628 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -87.6 | -7.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L562 M563 | L562-A566 VanDerWaalsContact O-CB 3.31Å; L562-A566 WeakPolarHBondContact O-CB 3.24Å; L562-A566 PolarHBondContact O-N 3.39Å; M563-A566 PolarHBondContact O-N 3.36Å |
| 567 | S | 61.9 | Low | 65.3 | Low | 41 Ų | 41 | 129 Ų | 129 | 29% | 0.287 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -65.2 | 134.9 | 173.7 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | M563 E564 Q569 N570 | M563-S567 PolarHBondContact O-N 3.27Å; E564-S567 WeakPolarHBondContact O-CB 3.35Å; E564-S567 PolarHBondContact O-N 2.99Å; S567-Q569 PolarHBondContact O-N 2.82Å; S567-N570 PolarHBondContact O-N 3.35Å |
| 568 | P | 60 | Low | 64.3 | Low | 120 Ų | 120 | 128 Ų | 128 | 78% | 0.779 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -67.5 | 2.1 | -176.8 | 26.9 | -33.1 | 0 | 0 | 0 | 114.6 | ||
| 569 | Q | 59 | Low | 63.2 | Low | 173 Ų | 173 | 129.9 Ų | 129.9 | 81% | 0.808 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -83 | -12.2 | 175.4 | -82.7 | 174.6 | -20.5 | 0 | 0 | 114.5 | S567 | S567-Q569 PolarHBondContact O-N 2.82Š|
| 570 | N | 55 | Low | 61.9 | Low | 100 Ų | 100 | 131.2 Ų | 131.2 | 54% | 0.535 | 71% | 0.709 | S | S | . | * | G | 310 helix | trans | -116.8 | 38.3 | -179.4 | -76.1 | -30.3 | 0 | 0 | 0 | 113.5 | S567 G572 | S567-N570 PolarHBondContact O-N 3.35Å; N570-G572 PolarHBondContact O-N 3.44Å |
| 571 | S | 51.4 | Low | 60.6 | Low | 118 Ų | 118 | 132.5 Ų | 132.5 | 83% | 0.825 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 15.2 | 178.1 | 65.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 572 | G | 54.5 | Low | 59.3 | Low | 70 Ų | 70 | 131.3 Ų | 131.3 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -13.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | N570 | N570-G572 PolarHBondContact O-N 3.44Š|
| 573 | C | 53.4 | Low | 57.9 | Low | 117 Ų | 117 | 132.3 Ų | 132.3 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | trans | -129.3 | 58.1 | -167.4 | -70.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 574 | F | 44.2 | Very low | 56.4 | Low | 190 Ų | 190 | 132 Ų | 132 | 83% | 0.833 | 74% | 0.735 | S | S | * | * | trans | -128.4 | 103 | 157.3 | -87.7 | -85.2 | 0 | 0 | 0 | 109.7 | ||||
| 575 | R | 43.1 | Very low | 54.8 | Low | 239 Ų | 239 | 133.3 Ų | 133.3 | 90% | 0.902 | 75% | 0.75 | S | S | * | * | trans | -85.7 | 119.9 | 152.5 | -103.7 | -171.8 | -176.4 | -157.1 | 1.5 | 106.7 | ||||
| 576 | P | 54.3 | Low | 53.7 | Low | 120 Ų | 120 | 133.9 Ų | 133.9 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | trans | -69.9 | 139.9 | 167.3 | 28.2 | -26 | 0 | 0 | 0 | 108.4 | ||||
| 577 | I | 43.6 | Very low | 52.8 | Low | 243 Ų | 243 | 139.2 Ų | 139.2 | 100% | 1.246 | 77% | 0.773 | S | S | * | * | trans | -64.3 | 0 | 171 | -66.5 | 171.2 | 0 | 0 | 0 | 109.3 |
Retrieved 577 of 577 residues in 714.3 ms
(Link to these results)