| 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 | 46.7 | Very low | 65 | Low | 219 Ų | 219 | 117.9 Ų | 117.9 | 100% | 1.079 | 59% | 0.591 | S | S | * | * | 0 | 9.1 | 0 | -64.4 | -168.9 | -179 | 0 | 0 | 113.5 | D3 T4 | M1-D3 PolarHBondContact O-N 2.84Å; M1-T4 PolarHBondContact O-OG1 3.48Å | |||
| 2 | G | 54.9 | Low | 65.6 | Low | 40 Ų | 40 | 117.7 Ų | 117.7 | 41% | 0.412 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66 | -36 | -164.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | T4 A5 K6 | G2-T4 VanDerWaalsContact C-N 3.28Å; G2-T4 PolarHBondContact O-N 3.23Å; G2-A5 WeakPolarHBondContact O-CA 3.35Å; G2-A5 WeakPolarHBondContact O-CB 3.42Å; G2-A5 PolarHBondContact O-N 3.42Å; G2-K6 PolarHBondContact O-N 2.93Å |
| 3 | D | 57.8 | Low | 65.9 | Low | 125 Ų | 125 | 115.4 Ų | 115.4 | 67% | 0.668 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.4 | -34.7 | -169.6 | -40.9 | -63 | 0 | 0 | 0 | 112.4 | M1 A5 K6 T7 | M1-D3 PolarHBondContact O-N 2.84Å; D3-A5 PolarHBondContact O-N 3.06Å; D3-K6 PolarHBondContact O-N 2.89Å; D3-T7 WeakPolarHBondContact O-CB 3.49Å; D3-T7 VanDerWaalsContact O-CG2 3.32Å; D3-T7 WeakPolarHBondContact O-CG2 3.47Å; D3-T7 PolarHBondContact O-N 2.78Å; D3-T7 PolarHBondContact O-OG1 3.5Å |
| 4 | T | 59 | Low | 66.5 | Low | 84 Ų | 84 | 119.4 Ų | 119.4 | 52% | 0.515 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -73.3 | -8.5 | 175.8 | 72.8 | 0 | 0 | 0 | 0 | 113.6 | M1 G2 T7 K8 | M1-T4 PolarHBondContact O-OG1 3.48Å; G2-T4 VanDerWaalsContact C-N 3.28Å; G2-T4 PolarHBondContact O-N 3.23Å; T4-T7 WeakPolarHBondContact CA-OG1 3.45Å; T4-K8 WeakPolarHBondContact O-CD 3.48Å; T4-K8 WeakPolarHBondContact O-CE 3.43Å; T4-K8 WeakPolarHBondContact O-CG 3.33Å; T4-K8 PolarHBondContact O-NZ 3.06Å |
| 5 | A | 62.7 | Low | 66.3 | Low | 58 Ų | 58 | 124.3 Ų | 124.3 | 48% | 0.479 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -98 | -47.5 | 169 | 0 | 0 | 0 | 0 | 0 | 111 | G2 D3 T7 K8 R9 | G2-A5 WeakPolarHBondContact O-CA 3.35Å; G2-A5 WeakPolarHBondContact O-CB 3.42Å; G2-A5 PolarHBondContact O-N 3.42Å; D3-A5 PolarHBondContact O-N 3.06Å; A5-T7 VanDerWaalsContact C-N 3.31Å; A5-T7 PolarHBondContact O-N 3.02Å; A5-K8 PolarHBondContact O-N 2.86Å; A5-R9 PolarHBondContact O-N 2.88Å |
| 6 | K | 68.6 | Low | 65.6 | Low | 115 Ų | 115 | 127.6 Ų | 127.6 | 50% | 0.5 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -54.9 | -45.3 | 174.8 | -69.6 | -168.3 | 175.4 | -172.4 | 0 | 110.9 | G2 D3 R9 R10 | G2-K6 PolarHBondContact O-N 2.93Å; D3-K6 PolarHBondContact O-N 2.89Å; K6-R9 PolarHBondContact O-N 3.2Å; K6-R10 PolarHBondContact O-N 2.97Å; K6-R10 VanDerWaalsContact O-N 3.09Å |
| 7 | T | 72.5 | Confident | 64.4 | Low | 84 Ų | 84 | 124.9 Ų | 124.9 | 52% | 0.515 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.9 | -46.3 | 174.5 | 49.4 | 0 | 0 | 0 | 0 | 113.8 | D3 T4 A5 R9 R10 E11 | D3-T7 WeakPolarHBondContact O-CB 3.49Å; D3-T7 VanDerWaalsContact O-CG2 3.32Å; D3-T7 WeakPolarHBondContact O-CG2 3.47Å; D3-T7 PolarHBondContact O-N 2.78Å; D3-T7 PolarHBondContact O-OG1 3.5Å; T4-T7 WeakPolarHBondContact CA-OG1 3.45Å; A5-T7 VanDerWaalsContact C-N 3.31Å; A5-T7 PolarHBondContact O-N 3.02Å; T7-R9 VanDerWaalsContact C-N 3.32Å; T7-R9 PolarHBondContact O-N 2.88Å; T7-R10 PolarHBondContact O-N 3.06Å; T7-E11 PolarHBondContact O-N 3Å |
| 8 | K | 73.3 | Confident | 63.8 | Low | 121 Ų | 121 | 121.4 Ų | 121.4 | 53% | 0.526 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62 | -37.5 | 177.4 | -74.6 | 174.2 | -164.8 | 152.6 | 0 | 112.5 | T4 A5 E11 Q12 | T4-K8 WeakPolarHBondContact O-CD 3.48Å; T4-K8 WeakPolarHBondContact O-CE 3.43Å; T4-K8 WeakPolarHBondContact O-CG 3.33Å; T4-K8 PolarHBondContact O-NZ 3.06Å; A5-K8 PolarHBondContact O-N 2.86Å; K8-E11 PolarHBondContact O-N 3.25Å; K8-Q12 WeakPolarHBondContact O-CB 3.49Å; K8-Q12 WeakPolarHBondContact O-CG 3.25Å; K8-Q12 PolarHBondContact O-N 3.05Å |
| 9 | R | 71.1 | Confident | 63.1 | Low | 179 Ų | 179 | 118.4 Ų | 118.4 | 68% | 0.675 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.5 | -42.9 | 174.7 | -166.2 | 171 | -179.9 | 166.5 | -3.7 | 110.8 | A5 K6 T7 Q12 L13 | A5-R9 PolarHBondContact O-N 2.88Å; K6-R9 PolarHBondContact O-N 3.2Å; T7-R9 VanDerWaalsContact C-N 3.32Å; T7-R9 PolarHBondContact O-N 2.88Å; R9-Q12 PolarHBondContact O-N 3.42Å; R9-L13 HydrophobicContact CG-CD1 4.49Å; R9-L13 WeakPolarHBondContact O-CG 3.48Å; R9-L13 PolarHBondContact O-N 2.97Å |
| 10 | R | 74.9 | Confident | 62.1 | Low | 154 Ų | 154 | 117.5 Ų | 117.5 | 58% | 0.581 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.7 | -34.7 | 173.8 | -120.8 | 176.6 | -175.4 | -166.1 | 1.5 | 113.3 | K6 T7 K14 D87 | K6-R10 PolarHBondContact O-N 2.97Å; K6-R10 VanDerWaalsContact O-N 3.09Å; T7-R10 PolarHBondContact O-N 3.06Å; R10-K14 WeakPolarHBondContact O-CB 3.41Å; R10-K14 PolarHBondContact O-N 3.5Å; R10-D87 IonicContact CZ-OD1 3.73Å; R10-D87 IonicContact NH2-OD1 3.21Å; R10-D87 PolarHBondContact NH2-OD1 2.95Å |
| 11 | E | 73.3 | Confident | 61.5 | Low | 118 Ų | 118 | 117.4 Ų | 117.4 | 55% | 0.551 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69.3 | -37.8 | 171.1 | -75.1 | -160.3 | 133.7 | 0 | 0 | 113.1 | T7 K8 K14 R15 | T7-E11 PolarHBondContact O-N 3Å; K8-E11 PolarHBondContact O-N 3.25Å; E11-K14 PolarHBondContact O-N 3.45Å; E11-R15 WeakPolarHBondContact O-CB 3.41Å; E11-R15 WeakPolarHBondContact O-CG 3.41Å; E11-R15 PolarHBondContact O-N 3.13Å |
| 12 | Q | 72.7 | Confident | 61.5 | Low | 115 Ų | 115 | 112.7 Ų | 112.7 | 54% | 0.537 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.8 | -45.3 | 175.2 | -77.6 | 173.4 | -22.2 | 0 | 0 | 111.2 | K8 R9 K14 R15 W16 | K8-Q12 WeakPolarHBondContact O-CB 3.49Å; K8-Q12 WeakPolarHBondContact O-CG 3.25Å; K8-Q12 PolarHBondContact O-N 3.05Å; R9-Q12 PolarHBondContact O-N 3.42Å; Q12-K14 PolarHBondContact O-N 3.03Å; Q12-R15 CarbonylContact O-C 3.55Å; Q12-R15 WeakPolarHBondContact O-CA 3.43Å; Q12-R15 WeakPolarHBondContact O-CB 3.3Å; Q12-R15 PolarHBondContact O-N 2.9Å; Q12-W16 PolarHBondContact O-N 3.33Å |
| 13 | L | 69.4 | Low | 61.1 | Low | 88 Ų | 88 | 120.9 Ų | 120.9 | 46% | 0.461 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -60.8 | -44.5 | 174.1 | -70.9 | 165.3 | 0 | 0 | 0 | 111.6 | R9 R15 W16 A17 | R9-L13 HydrophobicContact CG-CD1 4.49Å; R9-L13 WeakPolarHBondContact O-CG 3.48Å; R9-L13 PolarHBondContact O-N 2.97Å; L13-R15 PolarHBondContact O-N 3.41Å; L13-W16 HydrophobicContact CD2-CE3 4.37Å; L13-W16 PolarHBondContact O-N 3.13Å; L13-A17 PolarHBondContact O-N 3.16Å |
| 14 | K | 74.1 | Confident | 60.3 | Low | 172 Ų | 172 | 118.2 Ų | 118.2 | 75% | 0.748 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.7 | -21.4 | 172.5 | -82.4 | -172.4 | 173.6 | -178.4 | 0 | 114.6 | R10 E11 Q12 | R10-K14 WeakPolarHBondContact O-CB 3.41Å; R10-K14 PolarHBondContact O-N 3.5Å; E11-K14 PolarHBondContact O-N 3.45Å; Q12-K14 PolarHBondContact O-N 3.03Å |
| 15 | R | 64.3 | Low | 59.4 | Low | 192 Ų | 192 | 119.4 Ų | 119.4 | 73% | 0.725 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -85.8 | -20.6 | 172.4 | -76.7 | 174.4 | 174.2 | -174.9 | 1.2 | 113.2 | E11 Q12 L13 | E11-R15 WeakPolarHBondContact O-CB 3.41Å; E11-R15 WeakPolarHBondContact O-CG 3.41Å; E11-R15 PolarHBondContact O-N 3.13Å; Q12-R15 CarbonylContact O-C 3.55Å; Q12-R15 WeakPolarHBondContact O-CA 3.43Å; Q12-R15 WeakPolarHBondContact O-CB 3.3Å; Q12-R15 PolarHBondContact O-N 2.9Å; L13-R15 PolarHBondContact O-N 3.41Å |
| 16 | W | 54.1 | Low | 58.3 | Low | 178 Ų | 178 | 124.5 Ų | 124.5 | 67% | 0.674 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -85.9 | -30.8 | 172.3 | -74.9 | -17.4 | 0 | 0 | 0 | 113 | Q12 L13 G18 S19 | Q12-W16 PolarHBondContact O-N 3.33Å; L13-W16 HydrophobicContact CD2-CE3 4.37Å; L13-W16 PolarHBondContact O-N 3.13Å; W16-G18 PolarHBondContact O-N 3.33Å; W16-S19 WeakPolarHBondContact O-CB 3.47Å; W16-S19 PolarHBondContact O-N 3.26Å |
| 17 | A | 45.6 | Very low | 56.9 | Low | 81 Ų | 81 | 124.3 Ų | 124.3 | 67% | 0.669 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | 95.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L13 | L13-A17 PolarHBondContact O-N 3.16Š|
| 18 | G | 53.5 | Low | 55.1 | Low | 63 Ų | 63 | 126 Ų | 126 | 65% | 0.649 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 111.6 | -1.1 | -173 | 0 | 0 | 0 | 0 | 0 | 115.8 | W16 S20 | W16-G18 PolarHBondContact O-N 3.33Å; G18-S20 PolarHBondContact O-N 3.31Å |
| 19 | S | 51 | Low | 53.4 | Low | 64 Ų | 64 | 132 Ų | 132 | 45% | 0.448 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -84.4 | 70.5 | -176.8 | -179.3 | 0 | 0 | 0 | 0 | 113.7 | W16 T21 | W16-S19 WeakPolarHBondContact O-CB 3.47Å; W16-S19 PolarHBondContact O-N 3.26Å; S19-T21 PolarHBondContact O-N 2.92Å |
| 20 | S | 43.9 | Very low | 51.8 | Low | 99 Ų | 99 | 134.7 Ų | 134.7 | 69% | 0.692 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 65.8 | -13.1 | 161.1 | -158.5 | 0 | 0 | 0 | 0 | 118.5 | G18 | G18-S20 PolarHBondContact O-N 3.31Š|
| 21 | T | 49.6 | Very low | 49.8 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 71% | 0.712 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -72.6 | -31.5 | 172.5 | 44.9 | 0 | 0 | 0 | 0 | 112.6 | S19 | S19-T21 PolarHBondContact O-N 2.92Š|
| 22 | D | 45.7 | Very low | 47.6 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 64% | 0.642 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -90 | -5.6 | -170.1 | -42 | -38.6 | 0 | 0 | 0 | 112.7 | ||
| 23 | R | 45.5 | Very low | 45.7 | Very low | 212 Ų | 212 | 148.7 Ų | 148.7 | 80% | 0.8 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -93.9 | 122.8 | 171.5 | -62 | -171.1 | 90.4 | 96.8 | -2.7 | 109.3 | ||
| 24 | A | 41.9 | Very low | 43.7 | Very low | 69 Ų | 69 | 148.2 Ų | 148.2 | 57% | 0.57 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 141 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 25 | S | 39.2 | Very low | 41.7 | Very low | 110 Ų | 110 | 147.9 Ų | 147.9 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 117.1 | 177.3 | 37.3 | 0 | 0 | 0 | 0 | 110.9 | V27 | S25-V27 PolarHBondContact O-N 2.88Š|
| 26 | D | 40.5 | Very low | 40 | Very low | 164 Ų | 164 | 143 Ų | 143 | 88% | 0.877 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -69.5 | 14.5 | -178.1 | -81.2 | -37.6 | 0 | 0 | 0 | 115.2 | ||
| 27 | V | 38.4 | Very low | 38.8 | Very low | 111 Ų | 111 | 138 Ų | 138 | 67% | 0.673 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -128.3 | 109.2 | -177.1 | -174.4 | 0 | 0 | 0 | 0 | 111 | S25 R29 | S25-V27 PolarHBondContact O-N 2.88Å; V27-R29 PolarHBondContact O-N 3.19Å |
| 28 | P | 34.8 | Very low | 38 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | trans | -64.5 | 104.8 | 174.8 | -22 | 33.8 | 0 | 0 | 0 | 111.8 | R30 | P28-R30 PolarHBondContact O-N 3.13Š| ||
| 29 | R | 38.7 | Very low | 36.9 | Very low | 246 Ų | 246 | 144.5 Ų | 144.5 | 93% | 0.928 | 77% | 0.77 | S | S | * | * | trans | -65.5 | 106.6 | 173.2 | -79.6 | -171.1 | 169.7 | -160.4 | -2.1 | 110.5 | V27 R31 | V27-R29 PolarHBondContact O-N 3.19Å; R29-R31 PolarHBondContact O-N 3.38Å | ||
| 30 | R | 36.5 | Very low | 35.9 | Very low | 237 Ų | 237 | 150.9 Ų | 150.9 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 127.2 | 170.5 | -69.6 | -173.9 | 178.4 | -87.6 | 0 | 110 | P28 W32 | P28-R30 PolarHBondContact O-N 3.13Å; R30-W32 PolarHBondContact O-N 2.9Å |
| 31 | R | 32.4 | Very low | 35.3 | Very low | 217 Ų | 217 | 150.7 Ų | 150.7 | 82% | 0.819 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 117.1 | 175.6 | -171.3 | 178.9 | -172.6 | -171.6 | 3.1 | 109.6 | R29 | R29-R31 PolarHBondContact O-N 3.38Š|
| 32 | W | 27.7 | Very low | 34.3 | Very low | 247 Ų | 247 | 153.4 Ų | 153.4 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 133.3 | 162 | -85.1 | 48.2 | 0 | 0 | 0 | 108.9 | R30 | R30-W32 PolarHBondContact O-N 2.9Š|
| 33 | R | 32.9 | Very low | 33.7 | Very low | 216 Ų | 216 | 154.8 Ų | 154.8 | 82% | 0.815 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 123.8 | 158.6 | -78 | -172.6 | 177.6 | -94.1 | 10.5 | 107.4 | ||
| 34 | G | 28.4 | Very low | 32.9 | Very low | 79 Ų | 79 | 150.6 Ų | 150.6 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 152.8 | 149.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 35 | D | 30.8 | Very low | 32.4 | Very low | 164 Ų | 164 | 150.7 Ų | 150.7 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | trans | -117.7 | 146.4 | -174.5 | -173.9 | 32 | 0 | 0 | 0 | 111 | ||||
| 36 | A | 29.8 | Very low | 32 | Very low | 89 Ų | 89 | 153.2 Ų | 153.2 | 74% | 0.736 | 82% | 0.824 | S | S | * | * | trans | -166.8 | 133.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 37 | G | 28.3 | Very low | 32.2 | Very low | 73 Ų | 73 | 150.4 Ų | 150.4 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -69.9 | -175.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 38 | E | 29 | Very low | 32.9 | Very low | 189 Ų | 189 | 151 Ų | 151 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | cis | -119.7 | 150 | 20.6 | -74.1 | 152.5 | 159.6 | 0 | 0 | 110.7 | ||||
| 39 | A | 30.4 | Very low | 32.6 | Very low | 92 Ų | 92 | 148.8 Ų | 148.8 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | 44.9 | 133.5 | 82.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 40 | E | 29.5 | Very low | 32.4 | Very low | 198 Ų | 198 | 144.3 Ų | 144.3 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | cis | -121.4 | -176.4 | 26.8 | -55.5 | -167.3 | 127.5 | 0 | 0 | 115.1 | ||||
| 41 | A | 32 | Very low | 32.1 | Very low | 95 Ų | 95 | 142.2 Ų | 142.2 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -150.1 | 147.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 42 | E | 28.7 | Very low | 31.9 | Very low | 173 Ų | 173 | 140.6 Ų | 140.6 | 81% | 0.808 | 82% | 0.817 | S | S | * | * | trans | -137.1 | 119.2 | 151.7 | -77.7 | -139.9 | 144.7 | 0 | 0 | 107.6 | ||||
| 43 | L | 32.1 | Very low | 32.7 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | 60 | 112.3 | 94.2 | -60.3 | 167.3 | 0 | 0 | 0 | 111.4 | |||||
| 44 | S | 29.9 | Very low | 32.5 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | cis | -173.8 | 168.2 | 40.6 | 46.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 45 | G | 30.1 | Very low | 32.4 | Very low | 71 Ų | 71 | 134.5 Ų | 134.5 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | cis | 172.8 | 129.9 | -10.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 46 | D | 30.3 | Very low | 32.5 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | trans | 52.1 | 160.7 | 147.6 | -96.3 | 3.4 | 0 | 0 | 0 | 123.1 | ||||
| 47 | P | 45.9 | Very low | 32.8 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 68% | 0.682 | 81% | 0.814 | S | S | * | * | trans | -132.1 | -134.6 | -132.6 | 43.7 | -22.3 | 0 | 0 | 0 | 110.4 | ||||
| 48 | P | 52.6 | Low | 32.8 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | cis | -121.3 | -174.7 | -33.2 | 38 | -22.8 | 0 | 0 | 0 | 112.7 | ||||
| 49 | G | 29 | Very low | 33.3 | Very low | 75 Ų | 75 | 142.1 Ų | 142.1 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | -162.2 | 99.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 50 | D | 34.3 | Very low | 33.3 | Very low | 152 Ų | 152 | 146.2 Ų | 146.2 | 81% | 0.813 | 82% | 0.824 | S | S | * | * | trans | -69.4 | 133.9 | 170.5 | -78.2 | -58.8 | 0 | 0 | 0 | 111.7 | ||||
| 51 | Q | 29.8 | Very low | 34 | Very low | 192 Ų | 192 | 142.5 Ų | 142.5 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | trans | -176.7 | 118.9 | 134.3 | -101.9 | 148.5 | 107.2 | 0 | 0 | 113 | ||||
| 52 | Q | 28.6 | Very low | 33.9 | Very low | 183 Ų | 183 | 142.7 Ų | 142.7 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | -88.9 | 167.7 | 138.1 | -70.8 | -168.8 | -48.2 | 0 | 0 | 107.7 | ||||
| 53 | P | 43.9 | Very low | 34.5 | Very low | 104 Ų | 104 | 140.1 Ų | 140.1 | 68% | 0.675 | 81% | 0.813 | S | S | * | * | cis | -138.6 | -167.4 | 14.1 | 44.6 | -26.2 | 0 | 0 | 0 | 115.6 | ||||
| 54 | E | 28.8 | Very low | 34.6 | Very low | 182 Ų | 182 | 139.9 Ų | 139.9 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | 63.5 | 111.7 | 155.8 | -69.8 | 176 | -143.9 | 0 | 0 | 121 | ||||
| 55 | S | 27.7 | Very low | 35.4 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | -168 | 163.5 | 123.1 | 36.3 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 56 | E | 31.3 | Very low | 36.2 | Very low | 200 Ų | 200 | 141.2 Ų | 141.2 | 94% | 0.935 | 81% | 0.806 | S | S | * | * | trans | -87.9 | 142.6 | -164.8 | -58.7 | 173.3 | 118.2 | 0 | 0 | 114.9 | ||||
| 57 | G | 36 | Very low | 36.9 | Very low | 73 Ų | 73 | 137 Ų | 137 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | 78.3 | 102.3 | 134.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 58 | R | 30.1 | Very low | 37.1 | Very low | 247 Ų | 247 | 141.8 Ų | 141.8 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | trans | -162.2 | 160.1 | 138.3 | -110.9 | 162.6 | -167 | -146.1 | -1.2 | 112 | ||||
| 59 | D | 38 | Very low | 37.2 | Very low | 155 Ų | 155 | 146 Ų | 146 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | -64.3 | 139.2 | 176.1 | -52.7 | -89.1 | 0 | 0 | 0 | 112.2 | ||||
| 60 | E | 31.7 | Very low | 39.3 | Very low | 178 Ų | 178 | 153 Ų | 153 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -149.1 | 136.5 | 137.4 | -86.5 | -141 | 128.5 | 0 | 0 | 110.8 | S62 | E60-S62 PolarHBondContact O-N 2.82Š| ||
| 61 | S | 43 | Very low | 41.6 | Very low | 120 Ų | 120 | 151.7 Ų | 151.7 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -78.5 | 95.9 | 172.8 | 51.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 62 | S | 29.7 | Very low | 44.1 | Very low | 98 Ų | 98 | 150.5 Ų | 150.5 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | trans | -103.7 | 110.1 | 174.9 | -79.4 | 0 | 0 | 0 | 0 | 112 | E60 | E60-S62 PolarHBondContact O-N 2.82Š| ||
| 63 | P | 40.7 | Very low | 47 | Very low | 119 Ų | 119 | 149.4 Ų | 149.4 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -71.2 | 132.3 | 173.8 | 29.2 | -33.2 | 0 | 0 | 0 | 110.9 | P65 | P63-P65 WeakPolarHBondContact O-CD 3.34Š| ||
| 64 | I | 35.1 | Very low | 49.1 | Very low | 145 Ų | 145 | 148.9 Ų | 148.9 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | trans | -63.3 | 120 | -174.9 | -58.3 | 167.4 | 0 | 0 | 0 | 110.3 | S66 | I64-S66 PolarHBondContact O-N 2.76Š| ||
| 65 | P | 46.2 | Very low | 51.9 | Low | 134 Ų | 134 | 141.9 Ų | 141.9 | 87% | 0.87 | 75% | 0.749 | S | S | * | * | trans | -79.8 | 54.6 | 180 | 34 | -36.3 | 0 | 0 | 0 | 112.1 | P63 | P63-P65 WeakPolarHBondContact O-CD 3.34Š| ||
| 66 | S | 48.3 | Very low | 54.8 | Low | 89 Ų | 89 | 136.9 Ų | 136.9 | 62% | 0.622 | 72% | 0.715 | S | S | * | * | trans | -107.7 | 38.4 | 175.1 | 70.9 | 0 | 0 | 0 | 0 | 112.2 | I64 R68 | I64-S66 PolarHBondContact O-N 2.76Å; S66-R68 PolarHBondContact O-N 3.48Å | ||
| 67 | G | 44.8 | Very low | 57.5 | Low | 73 Ų | 73 | 129.7 Ų | 129.7 | 75% | 0.753 | 69% | 0.69 | S | S | * | * | trans | -63.8 | 91.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | K69 | G67-K69 PolarHBondContact O-N 3.46Š| ||
| 68 | R | 49.7 | Very low | 60.1 | Low | 207 Ų | 207 | 128.8 Ų | 128.8 | 78% | 0.781 | 67% | 0.666 | S | S | * | * | trans | -50.7 | 125.5 | 157.4 | -66.1 | -177.6 | -179.7 | -173.4 | 0.5 | 106.3 | S66 R70 | S66-R68 PolarHBondContact O-N 3.48Å; R68-R70 VanDerWaalsContact C-N 3.32Å; R68-R70 PolarHBondContact O-N 2.85Å | ||
| 69 | K | 53.4 | Low | 63.1 | Low | 210 Ų | 210 | 117 Ų | 117 | 91% | 0.913 | 62% | 0.622 | S | S | * | * | trans | -60.2 | 96.9 | 177.2 | -69 | -168.2 | 176.2 | -166.6 | 0 | 108.6 | G67 V71 | G67-K69 PolarHBondContact O-N 3.46Å; K69-V71 PolarHBondContact O-N 2.99Å | ||
| 70 | R | 73.6 | Confident | 65.7 | Low | 223 Ų | 223 | 111.5 Ų | 111.5 | 84% | 0.842 | 59% | 0.592 | S | S | * | * | trans | -67 | 129.9 | 172.4 | -72.1 | -174 | -73.4 | -118.6 | 2.6 | 106.9 | R68 R72 | R68-R70 VanDerWaalsContact C-N 3.32Å; R68-R70 PolarHBondContact O-N 2.85Å; R70-R72 PolarHBondContact O-N 3.31Å | ||
| 71 | V | 84.1 | Confident | 68.5 | Low | 125 Ų | 125 | 106 Ų | 106 | 76% | 0.758 | 58% | 0.577 | S | S | * | * | trans | -67.5 | 126.6 | 162 | -177.1 | 0 | 0 | 0 | 0 | 106.1 | K69 | K69-V71 PolarHBondContact O-N 2.99Š| ||
| 72 | R | 82.1 | Confident | 70.9 | Confident | 166 Ų | 166 | 100.6 Ų | 100.6 | 63% | 0.626 | 54% | 0.539 | S | S | * | . | trans | -122.4 | 154.6 | 156.8 | -60.9 | -157.3 | -57.9 | 152.7 | 4.1 | 106.2 | R70 | R70-R72 PolarHBondContact O-N 3.31Š| ||
| 73 | F | 88 | Confident | 73.9 | Confident | 160 Ų | 160 | 96.3 Ų | 96.3 | 70% | 0.702 | 51% | 0.51 | S | S | * | . | trans | -86.7 | -173.5 | 169.4 | -60.2 | -84.2 | 0 | 0 | 0 | 109.1 | E78 | F73-E78 HydrophobicContact CB-CG 3.81Å; F73-E78 PolarHBondContact N-OE1 2.96Å | ||
| 74 | D | 88.6 | Confident | 76.3 | Confident | 94 Ų | 94 | 93.1 Ų | 93.1 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | trans | -71 | 145.1 | 169 | 172.5 | 64.9 | 0 | 0 | 0 | 110.5 | A76 A77 E78 | D74-A76 WeakPolarHBondContact OD2-CB 3.25Å; D74-A76 PolarHBondContact OD2-N 3.49Å; D74-A76 VanDerWaalsContact OD2-N 3.1Å; D74-A77 HydrophobicContact CB-CB 4.1Å; D74-A77 WeakPolarHBondContact O-CB 3.35Å; D74-A77 PolarHBondContact O-N 2.96Å; D74-A77 PolarHBondContact OD2-N 2.88Å; D74-E78 WeakPolarHBondContact O-CG 3.32Å; D74-E78 PolarHBondContact O-N 3.27Å | ||
| 75 | R | 86.9 | Confident | 79 | Confident | 35 Ų | 35 | 89 Ų | 89 | 13% | 0.132 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -72.4 | -34 | -170.2 | -165.5 | 171.9 | -171.5 | 121 | 17.7 | 112.8 | E78 F79 M94 E97 | R75-E78 PolarHBondContact O-N 3.35Å; R75-F79 WeakPolarHBondContact O-CB 3.36Å; R75-F79 PolarHBondContact O-N 2.87Å; R75-M94 PolarHBondContact NH2-O 3.44Å; R75-E97 IonicContact CZ-OE2 3.47Å; R75-E97 IonicContact NH1-OE2 3.26Å; R75-E97 PolarHBondContact NH1-OE2 3.3Å; R75-E97 IonicContact NH2-OE2 3.94Å; R75-E97 PolarHBondContact NH2-OE2 3.43Å |
| 76 | A | 88.5 | Confident | 81.1 | Confident | 23 Ų | 23 | 84.1 Ų | 84.1 | 19% | 0.19 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | D74 F79 L80 C117 | D74-A76 WeakPolarHBondContact OD2-CB 3.25Å; D74-A76 PolarHBondContact OD2-N 3.49Å; D74-A76 VanDerWaalsContact OD2-N 3.1Å; A76-F79 PolarHBondContact O-N 3.41Å; A76-L80 WeakPolarHBondContact O-CB 3.49Å; A76-L80 WeakPolarHBondContact O-CG 3.43Å; A76-L80 PolarHBondContact O-N 2.82Å; A76-C117 HydrophobicContact CB-CB 3.56Å |
| 77 | A | 89.3 | Confident | 83.2 | Confident | 50 Ų | 50 | 82.3 Ų | 82.3 | 41% | 0.413 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D74 A81 | D74-A77 HydrophobicContact CB-CB 4.1Å; D74-A77 WeakPolarHBondContact O-CB 3.35Å; D74-A77 PolarHBondContact O-N 2.96Å; D74-A77 PolarHBondContact OD2-N 2.88Å; A77-A81 VanDerWaalsContact O-CB 3.29Å; A77-A81 WeakPolarHBondContact O-CB 3.43Å; A77-A81 PolarHBondContact O-N 3.39Å; A77-A81 VanDerWaalsContact O-N 3.14Å |
| 78 | E | 91.1 | Very high | 85.4 | Confident | 53 Ų | 53 | 80.9 Ų | 80.9 | 25% | 0.248 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 172.7 | -69.3 | 178.6 | 167.1 | 0 | 0 | 110.8 | F73 D74 R75 A81 A82 M94 | F73-E78 HydrophobicContact CB-CG 3.81Å; F73-E78 PolarHBondContact N-OE1 2.96Å; D74-E78 WeakPolarHBondContact O-CG 3.32Å; D74-E78 PolarHBondContact O-N 3.27Å; R75-E78 PolarHBondContact O-N 3.35Å; E78-A81 PolarHBondContact O-N 2.97Å; E78-A82 PolarHBondContact O-N 3.1Å; E78-A82 VanDerWaalsContact O-N 3.1Å; E78-M94 HydrophobicContact CB-SD 3.9Å |
| 79 | F | 91.9 | Very high | 87.3 | Confident | 1 Ų | 1 | 78.3 Ų | 78.3 | 0% | 0.004 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.7 | -51.4 | 177.2 | -175.5 | -102.9 | 0 | 0 | 0 | 113.3 | R75 A76 A81 A82 C83 A91 M94 L95 I114 I115 A125 L141 | R75-F79 WeakPolarHBondContact O-CB 3.36Å; R75-F79 PolarHBondContact O-N 2.87Å; A76-F79 PolarHBondContact O-N 3.41Å; F79-A81 PolarHBondContact O-N 2.89Å; F79-A82 PolarHBondContact O-N 3.1Å; F79-C83 PolarHBondContact O-N 3.2Å; F79-A91 HydrophobicContact CD2-CB 4.35Å; F79-A91 HydrophobicContact CE2-CB 3.93Å; F79-M94 HydrophobicContact CB-CE 4.43Å; F79-M94 HydrophobicContact CD2-CE 4.37Å; F79-L95 HydrophobicContact CD2-CD2 4.45Å; F79-L95 HydrophobicContact CD2-CG 4.5Å; F79-L95 HydrophobicContact CE2-CD1 3.93Å; F79-L95 HydrophobicContact CE2-CD2 3.88Å; F79-L95 HydrophobicContact CE2-CG 3.78Å; F79-L95 HydrophobicContact CZ-CD1 4.27Å; F79-L95 HydrophobicContact CZ-CD2 4.27Å; F79-L95 HydrophobicContact CZ-CG 4.45Å; F79-I114 HydrophobicContact CB-CG2 4.41Å; F79-I114 WeakPolarHBondContact CD1-O 3.37Å; F79-I114 HydrophobicContact CG-CG2 4.28Å; F79-I115 HydrophobicContact CE1-CG1 4.2Å; F79-I115 HydrophobicContact CZ-CG1 3.9Å; F79-A125 HydrophobicContact CE1-CB 4.05Å; F79-L141 HydrophobicContact CE1-CD2 4.13Å; F79-L141 HydrophobicContact CZ-CD2 3.78Å |
| 80 | L | 92.1 | Very high | 89.1 | Confident | 38 Ų | 38 | 74.1 Ų | 74.1 | 20% | 0.199 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -56.1 | -39.3 | 176 | -74.5 | 164.7 | 0 | 0 | 0 | 111.7 | A76 A84 A125 | A76-L80 WeakPolarHBondContact O-CB 3.49Å; A76-L80 WeakPolarHBondContact O-CG 3.43Å; A76-L80 PolarHBondContact O-N 2.82Å; L80-A84 VanDerWaalsContact O-CB 3.29Å; L80-A84 WeakPolarHBondContact O-CB 3.29Å; L80-A84 PolarHBondContact O-N 3.23Å; L80-A125 HydrophobicContact CD2-CB 4.01Å |
| 81 | A | 91.9 | Very high | 89.9 | Confident | 62 Ų | 62 | 63.6 Ų | 63.6 | 51% | 0.512 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.5 | -38.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A77 E78 F79 A84 S85 | A77-A81 VanDerWaalsContact O-CB 3.29Å; A77-A81 WeakPolarHBondContact O-CB 3.43Å; A77-A81 PolarHBondContact O-N 3.39Å; A77-A81 VanDerWaalsContact O-N 3.14Å; E78-A81 PolarHBondContact O-N 2.97Å; F79-A81 PolarHBondContact O-N 2.89Å; A81-A84 PolarHBondContact O-N 2.99Å; A81-S85 PolarHBondContact O-N 3.45Å |
| 82 | A | 92.9 | Very high | 90.2 | Very high | 7 Ų | 7 | 61.1 Ų | 61.1 | 6% | 0.058 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -71.5 | -37.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E78 F79 S85 G86 D87 E90 A91 M94 | E78-A82 PolarHBondContact O-N 3.1Å; E78-A82 VanDerWaalsContact O-N 3.1Å; F79-A82 PolarHBondContact O-N 3.1Å; A82-S85 PolarHBondContact O-N 3.11Å; A82-S85 PolarHBondContact O-OG 3.13Å; A82-G86 PolarHBondContact O-N 2.89Å; A82-D87 PolarHBondContact O-N 2.91Å; A82-E90 HydrophobicContact CB-CB 4.49Å; A82-E90 HydrophobicContact CB-CG 4.45Å; A82-A91 HydrophobicContact CB-CB 4.4Å; A82-M94 HydrophobicContact CB-CE 3.47Å; A82-M94 VanDerWaalsContact CB-CE 3.47Å |
| 83 | C | 93.1 | Very high | 90.5 | Very high | 9 Ų | 9 | 55.5 Ų | 55.5 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 169.4 | -70.2 | 0 | 0 | 0 | 0 | 111 | F79 S85 G86 A125 I137 | F79-C83 PolarHBondContact O-N 3.2Å; C83-S85 VanDerWaalsContact C-N 3.26Å; C83-S85 PolarHBondContact O-N 3.14Å; C83-G86 PolarHBondContact O-N 3.1Å; C83-G86 VanDerWaalsContact O-N 3.09Å; C83-A125 HydrophobicContact CB-CB 3.98Å; C83-I137 HydrophobicContact CB-CG2 4.49Å; C83-I137 WeakPolarHBondContact O-CD1 3.49Å |
| 84 | A | 91.4 | Very high | 90.5 | Very high | 52 Ų | 52 | 48.9 Ų | 48.9 | 43% | 0.43 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -70.6 | -12.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L80 A81 Q128 | L80-A84 VanDerWaalsContact O-CB 3.29Å; L80-A84 WeakPolarHBondContact O-CB 3.29Å; L80-A84 PolarHBondContact O-N 3.23Å; A81-A84 PolarHBondContact O-N 2.99Å; A84-Q128 HydrophobicContact CB-CG 4.38Å |
| 85 | S | 90.9 | Very high | 90.5 | Very high | 59 Ų | 59 | 44.6 Ų | 44.6 | 41% | 0.413 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -89 | -20.7 | 168.7 | 78 | 0 | 0 | 0 | 0 | 113.1 | A81 A82 C83 D87 | A81-S85 PolarHBondContact O-N 3.45Å; A82-S85 PolarHBondContact O-N 3.11Å; A82-S85 PolarHBondContact O-OG 3.13Å; C83-S85 VanDerWaalsContact C-N 3.26Å; C83-S85 PolarHBondContact O-N 3.14Å; S85-D87 VanDerWaalsContact CB-OD2 3.3Å; S85-D87 WeakPolarHBondContact CB-OD2 3.25Å; S85-D87 PolarHBondContact OG-N 3.4Å; S85-D87 PolarHBondContact OG-OD2 3.37Å |
| 86 | G | 90.1 | Very high | 90.5 | Very high | 31 Ų | 31 | 46.9 Ų | 46.9 | 32% | 0.32 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 15.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | A82 C83 T88 | A82-G86 PolarHBondContact O-N 2.89Å; C83-G86 PolarHBondContact O-N 3.1Å; C83-G86 VanDerWaalsContact O-N 3.09Å; G86-T88 PolarHBondContact O-N 3.43Å |
| 87 | D | 92 | Very high | 90.3 | Very high | 51 Ų | 51 | 50.7 Ų | 50.7 | 27% | 0.273 | 30% | 0.295 | S | S | . | . | trans | -90.7 | 72.7 | 179.7 | -61.1 | -68.2 | 0 | 0 | 0 | 110 | R10 A82 S85 E89 E90 A91 | R10-D87 IonicContact CZ-OD1 3.73Å; R10-D87 IonicContact NH2-OD1 3.21Å; R10-D87 PolarHBondContact NH2-OD1 2.95Å; A82-D87 PolarHBondContact O-N 2.91Å; S85-D87 VanDerWaalsContact CB-OD2 3.3Å; S85-D87 WeakPolarHBondContact CB-OD2 3.25Å; S85-D87 PolarHBondContact OG-N 3.4Å; S85-D87 PolarHBondContact OG-OD2 3.37Å; D87-E89 PolarHBondContact O-N 3.38Å; D87-E89 VanDerWaalsContact O-N 3.13Å; D87-E90 PolarHBondContact O-N 3.34Å; D87-A91 PolarHBondContact O-N 2.59Å | ||
| 88 | T | 91.2 | Very high | 89.9 | Confident | 43 Ų | 43 | 48.5 Ų | 48.5 | 26% | 0.264 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -54.8 | -30.1 | -174.5 | 50.6 | 0 | 0 | 0 | 0 | 114.7 | G86 E90 A91 K92 F140 | G86-T88 PolarHBondContact O-N 3.43Å; T88-E90 VanDerWaalsContact C-N 3.33Å; T88-E90 PolarHBondContact O-N 3.45Å; T88-A91 PolarHBondContact O-N 3.18Å; T88-K92 VanDerWaalsContact O-CB 3.25Å; T88-K92 WeakPolarHBondContact O-CB 3.3Å; T88-K92 PolarHBondContact O-N 3.32Å; T88-F140 HydrophobicContact CG2-CB 4.25Å; T88-F140 HydrophobicContact CG2-CD1 4.33Å; T88-F140 HydrophobicContact CG2-CG 4.12Å |
| 89 | E | 90.4 | Very high | 89.3 | Confident | 153 Ų | 153 | 51.4 Ų | 51.4 | 72% | 0.715 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -63.1 | -36.5 | 175.1 | -60.4 | -65.6 | 154.4 | 0 | 0 | 112.4 | D87 A93 | D87-E89 PolarHBondContact O-N 3.38Å; D87-E89 VanDerWaalsContact O-N 3.13Å; E89-A93 WeakPolarHBondContact O-CB 3.2Å; E89-A93 PolarHBondContact O-N 2.83Å |
| 90 | E | 90.9 | Very high | 88.6 | Confident | 122 Ų | 122 | 57.4 Ų | 57.4 | 57% | 0.57 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -76.2 | -40.7 | 178.1 | -172.3 | 164.4 | -166.4 | 0 | 0 | 110.7 | A82 D87 T88 K92 A93 M94 | A82-E90 HydrophobicContact CB-CB 4.49Å; A82-E90 HydrophobicContact CB-CG 4.45Å; D87-E90 PolarHBondContact O-N 3.34Å; T88-E90 VanDerWaalsContact C-N 3.33Å; T88-E90 PolarHBondContact O-N 3.45Å; E90-K92 VanDerWaalsContact C-N 3.31Å; E90-K92 PolarHBondContact O-N 3.04Å; E90-A93 PolarHBondContact O-N 3.41Å; E90-M94 HydrophobicContact CG-CE 4.28Å; E90-M94 WeakPolarHBondContact O-CB 3.44Å; E90-M94 WeakPolarHBondContact O-CG 3.32Å; E90-M94 PolarHBondContact O-N 2.98Å |
| 91 | A | 89.9 | Confident | 87.6 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.008 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.8 | -41.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112 | F79 A82 D87 T88 M94 L95 F140 | F79-A91 HydrophobicContact CD2-CB 4.35Å; F79-A91 HydrophobicContact CE2-CB 3.93Å; A82-A91 HydrophobicContact CB-CB 4.4Å; D87-A91 PolarHBondContact O-N 2.59Å; T88-A91 PolarHBondContact O-N 3.18Å; A91-M94 PolarHBondContact O-N 3.47Å; A91-L95 WeakPolarHBondContact O-CG 3.34Å; A91-L95 PolarHBondContact O-N 3.13Å; A91-L95 VanDerWaalsContact O-N 3.11Å; A91-F140 HydrophobicContact CB-CE1 3.78Å; A91-F140 HydrophobicContact CB-CZ 4.05Å |
| 92 | K | 90.6 | Very high | 86.1 | Confident | 73 Ų | 73 | 59 Ų | 59 | 32% | 0.317 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.1 | -45.8 | 177.5 | -168.3 | 169.2 | -175.8 | -74.6 | 0 | 112.4 | T88 E90 M94 L95 E96 F140 | T88-K92 VanDerWaalsContact O-CB 3.25Å; T88-K92 WeakPolarHBondContact O-CB 3.3Å; T88-K92 PolarHBondContact O-N 3.32Å; E90-K92 VanDerWaalsContact C-N 3.31Å; E90-K92 PolarHBondContact O-N 3.04Å; K92-M94 VanDerWaalsContact C-N 3.26Å; K92-M94 PolarHBondContact O-N 3.18Å; K92-L95 PolarHBondContact O-N 2.65Å; K92-L95 VanDerWaalsContact O-N 3.13Å; K92-E96 IonicContact NZ-OE1 2.63Å; K92-E96 PolarHBondContact NZ-OE1 3.18Å; K92-E96 PolarHBondContact O-N 3.37Å; K92-F140 HydrophobicContact CB-CE2 3.79Å; K92-F140 HydrophobicContact CB-CZ 3.9Å; K92-F140 HydrophobicContact CD-CE2 4.22Å; K92-F140 HydrophobicContact CG-CE2 4.14Å |
| 93 | A | 90.1 | Very high | 84.5 | Confident | 48 Ų | 48 | 63 Ų | 63 | 40% | 0.397 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.4 | -39.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E89 E90 L95 E96 E97 | E89-A93 WeakPolarHBondContact O-CB 3.2Å; E89-A93 PolarHBondContact O-N 2.83Å; E90-A93 PolarHBondContact O-N 3.41Å; A93-L95 VanDerWaalsContact C-N 3.34Å; A93-L95 PolarHBondContact O-N 3.3Å; A93-E96 PolarHBondContact O-N 3.43Å; A93-E97 WeakPolarHBondContact O-CB 3.19Å; A93-E97 PolarHBondContact O-N 3.01Å |
| 94 | M | 87.3 | Confident | 82.8 | Confident | 21 Ų | 21 | 70.1 Ų | 70.1 | 10% | 0.103 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.2 | -32.9 | 175.3 | -78.1 | -170.3 | -71 | 0 | 0 | 113.6 | R75 E78 F79 A82 E90 A91 K92 T98 | R75-M94 PolarHBondContact NH2-O 3.44Å; E78-M94 HydrophobicContact CB-SD 3.9Å; F79-M94 HydrophobicContact CB-CE 4.43Å; F79-M94 HydrophobicContact CD2-CE 4.37Å; A82-M94 HydrophobicContact CB-CE 3.47Å; A82-M94 VanDerWaalsContact CB-CE 3.47Å; E90-M94 HydrophobicContact CG-CE 4.28Å; E90-M94 WeakPolarHBondContact O-CB 3.44Å; E90-M94 WeakPolarHBondContact O-CG 3.32Å; E90-M94 PolarHBondContact O-N 2.98Å; A91-M94 PolarHBondContact O-N 3.47Å; K92-M94 VanDerWaalsContact C-N 3.26Å; K92-M94 PolarHBondContact O-N 3.18Å; M94-T98 VanDerWaalsContact O-CG2 3.25Å; M94-T98 WeakPolarHBondContact O-CG2 3.09Å; M94-T98 PolarHBondContact O-N 3.41Å |
| 95 | L | 87.7 | Confident | 81.1 | Confident | 5 Ų | 5 | 75.5 Ų | 75.5 | 3% | 0.026 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -75.7 | -44.8 | 174 | -66.8 | 171.5 | 0 | 0 | 0 | 111.8 | F79 A91 K92 A93 E97 T98 E99 L111 I114 I115 F140 H144 | F79-L95 HydrophobicContact CD2-CD2 4.45Å; F79-L95 HydrophobicContact CD2-CG 4.5Å; F79-L95 HydrophobicContact CE2-CD1 3.93Å; F79-L95 HydrophobicContact CE2-CD2 3.88Å; F79-L95 HydrophobicContact CE2-CG 3.78Å; F79-L95 HydrophobicContact CZ-CD1 4.27Å; F79-L95 HydrophobicContact CZ-CD2 4.27Å; F79-L95 HydrophobicContact CZ-CG 4.45Å; A91-L95 WeakPolarHBondContact O-CG 3.34Å; A91-L95 PolarHBondContact O-N 3.13Å; A91-L95 VanDerWaalsContact O-N 3.11Å; K92-L95 PolarHBondContact O-N 2.65Å; K92-L95 VanDerWaalsContact O-N 3.13Å; A93-L95 VanDerWaalsContact C-N 3.34Å; A93-L95 PolarHBondContact O-N 3.3Å; L95-E97 VanDerWaalsContact C-N 3.26Å; L95-E97 PolarHBondContact O-N 3.09Å; L95-T98 PolarHBondContact O-N 2.93Å; L95-T98 PolarHBondContact O-OG1 3.19Å; L95-E99 PolarHBondContact O-N 3.36Å; L95-E99 VanDerWaalsContact O-N 3.1Å; L95-L111 HydrophobicContact CB-CD1 4.02Å; L95-L111 HydrophobicContact CD2-CD1 3.63Å; L95-L111 HydrophobicContact CG-CD1 4.38Å; L95-I114 HydrophobicContact CD2-CG2 4.31Å; L95-I115 HydrophobicContact CD1-CD1 4.18Å; L95-I115 HydrophobicContact CD2-CB 4.38Å; L95-I115 HydrophobicContact CD2-CG1 4.46Å; L95-F140 HydrophobicContact CD1-CE1 4.45Å; L95-F140 HydrophobicContact CD1-CZ 4.09Å; L95-H144 HydrophobicContact CD1-CB 4.09Å |
| 96 | E | 86.8 | Confident | 79.4 | Confident | 82 Ų | 82 | 82.1 Ų | 82.1 | 38% | 0.383 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.8 | -37.6 | 176.3 | -72.9 | -179.1 | -170.5 | 0 | 0 | 112 | K92 A93 Q100 | K92-E96 IonicContact NZ-OE1 2.63Å; K92-E96 PolarHBondContact NZ-OE1 3.18Å; K92-E96 PolarHBondContact O-N 3.37Å; A93-E96 PolarHBondContact O-N 3.43Å; E96-Q100 WeakPolarHBondContact O-CB 3.43Å; E96-Q100 VanDerWaalsContact O-CG 3.25Å; E96-Q100 WeakPolarHBondContact O-CG 3.32Å; E96-Q100 PolarHBondContact O-N 2.65Å; E96-Q100 VanDerWaalsContact O-N 3.13Å; E96-Q100 PolarHBondContact O-NE2 2.77Å |
| 97 | E | 85.2 | Confident | 77.6 | Confident | 104 Ų | 104 | 88.5 Ų | 88.5 | 49% | 0.486 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.2 | -34.3 | 171.9 | -87.7 | -167.2 | -175.1 | 0 | 0 | 113.3 | R75 A93 L95 S101 | R75-E97 IonicContact CZ-OE2 3.47Å; R75-E97 IonicContact NH1-OE2 3.26Å; R75-E97 PolarHBondContact NH1-OE2 3.3Å; R75-E97 IonicContact NH2-OE2 3.94Å; R75-E97 PolarHBondContact NH2-OE2 3.43Å; A93-E97 WeakPolarHBondContact O-CB 3.19Å; A93-E97 PolarHBondContact O-N 3.01Å; L95-E97 VanDerWaalsContact C-N 3.26Å; L95-E97 PolarHBondContact O-N 3.09Å; E97-S101 VanDerWaalsContact O-CB 3.3Å; E97-S101 WeakPolarHBondContact O-CB 3.33Å; E97-S101 PolarHBondContact O-N 3.4Å; E97-S101 PolarHBondContact O-OG 3.48Å |
| 98 | T | 81.2 | Confident | 75.8 | Confident | 3 Ų | 3 | 87.1 Ų | 87.1 | 2% | 0.018 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -72.9 | -44.2 | -179.3 | 58.8 | 0 | 0 | 0 | 0 | 110.3 | M94 L95 Q100 S101 K102 L111 I114 | M94-T98 VanDerWaalsContact O-CG2 3.25Å; M94-T98 WeakPolarHBondContact O-CG2 3.09Å; M94-T98 PolarHBondContact O-N 3.41Å; L95-T98 PolarHBondContact O-N 2.93Å; L95-T98 PolarHBondContact O-OG1 3.19Å; T98-Q100 VanDerWaalsContact C-N 3.31Å; T98-Q100 PolarHBondContact O-N 2.9Å; T98-S101 WeakPolarHBondContact CA-OG 3.4Å; T98-S101 PolarHBondContact O-N 3Å; T98-S101 PolarHBondContact O-OG 3.24Å; T98-K102 WeakPolarHBondContact O-CB 3.49Å; T98-K102 PolarHBondContact O-N 3.37Å; T98-L111 WeakPolarHBondContact OG1-CD1 3.11Å; T98-I114 HydrophobicContact CG2-CD1 3.31Å |
| 99 | E | 78.9 | Confident | 74.4 | Confident | 115 Ų | 115 | 90.2 Ų | 90.2 | 54% | 0.537 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -52.4 | -49.1 | 171.1 | -65.3 | -171.4 | 151.3 | 0 | 0 | 111.7 | L95 K102 A103 L111 | L95-E99 PolarHBondContact O-N 3.36Å; L95-E99 VanDerWaalsContact O-N 3.1Å; E99-K102 PolarHBondContact O-N 3.09Å; E99-A103 PolarHBondContact O-N 2.91Å; E99-L111 HydrophobicContact CG-CD1 3.99Å; E99-L111 HydrophobicContact CG-CD2 3.99Å; E99-L111 WeakPolarHBondContact OE1-CD2 3.41Å |
| 100 | Q | 75.8 | Confident | 73.5 | Confident | 126 Ų | 126 | 83.9 Ų | 83.9 | 59% | 0.589 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.3 | -47 | 177 | -73.3 | 166.9 | 66.1 | 0 | 0 | 112 | E96 T98 K102 A103 | E96-Q100 WeakPolarHBondContact O-CB 3.43Å; E96-Q100 VanDerWaalsContact O-CG 3.25Å; E96-Q100 WeakPolarHBondContact O-CG 3.32Å; E96-Q100 PolarHBondContact O-N 2.65Å; E96-Q100 VanDerWaalsContact O-N 3.13Å; E96-Q100 PolarHBondContact O-NE2 2.77Å; T98-Q100 VanDerWaalsContact C-N 3.31Å; T98-Q100 PolarHBondContact O-N 2.9Å; Q100-K102 VanDerWaalsContact C-N 3.27Å; Q100-K102 PolarHBondContact O-N 2.99Å; Q100-A103 WeakPolarHBondContact O-CB 3.42Å; Q100-A103 PolarHBondContact O-N 3.05Å; Q100-A103 VanDerWaalsContact O-N 3.16Å |
| 101 | S | 72.2 | Confident | 72.7 | Confident | 36 Ų | 36 | 80.2 Ų | 80.2 | 25% | 0.252 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.8 | -29.8 | -179.1 | 74.4 | 0 | 0 | 0 | 0 | 113.3 | E97 T98 A103 E104 R105 | E97-S101 VanDerWaalsContact O-CB 3.3Å; E97-S101 WeakPolarHBondContact O-CB 3.33Å; E97-S101 PolarHBondContact O-N 3.4Å; E97-S101 PolarHBondContact O-OG 3.48Å; T98-S101 WeakPolarHBondContact CA-OG 3.4Å; T98-S101 PolarHBondContact O-N 3Å; T98-S101 PolarHBondContact O-OG 3.24Å; S101-A103 VanDerWaalsContact C-N 3.3Å; S101-E104 PolarHBondContact O-N 2.57Å; S101-E104 VanDerWaalsContact O-N 3.13Å; S101-R105 PolarHBondContact O-N 2.88Å; S101-R105 VanDerWaalsContact O-N 3.13Å |
| 102 | K | 60.2 | Low | 72.1 | Confident | 99 Ų | 99 | 83.4 Ų | 83.4 | 43% | 0.43 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -75.9 | -18.1 | 177.7 | -154.1 | -179.5 | -170.8 | -158.4 | 0 | 112.9 | T98 E99 Q100 E104 S110 | T98-K102 WeakPolarHBondContact O-CB 3.49Å; T98-K102 PolarHBondContact O-N 3.37Å; E99-K102 PolarHBondContact O-N 3.09Å; Q100-K102 VanDerWaalsContact C-N 3.27Å; Q100-K102 PolarHBondContact O-N 2.99Å; K102-E104 VanDerWaalsContact C-N 3.29Å; K102-S110 VanDerWaalsContact NZ-CB 3.26Å |
| 103 | A | 58.6 | Low | 71.6 | Confident | 90 Ų | 90 | 84.8 Ų | 84.8 | 74% | 0.744 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -15 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E99 Q100 S101 | E99-A103 PolarHBondContact O-N 2.91Å; Q100-A103 WeakPolarHBondContact O-CB 3.42Å; Q100-A103 PolarHBondContact O-N 3.05Å; Q100-A103 VanDerWaalsContact O-N 3.16Å; S101-A103 VanDerWaalsContact C-N 3.3Å |
| 104 | E | 57.8 | Low | 71.4 | Confident | 158 Ų | 158 | 82.8 Ų | 82.8 | 74% | 0.738 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | -14.2 | -179.7 | -63.1 | -167.9 | 156.8 | 0 | 0 | 114.4 | S101 K102 | S101-E104 PolarHBondContact O-N 2.57Å; S101-E104 VanDerWaalsContact O-N 3.13Å; K102-E104 VanDerWaalsContact C-N 3.29Å |
| 105 | R | 55.5 | Low | 71.4 | Confident | 165 Ų | 165 | 81.9 Ų | 81.9 | 62% | 0.623 | 42% | 0.418 | S | S | * | . | trans | -142.5 | 127.3 | -178.3 | -62.4 | -170.8 | -176 | 106.6 | 17.8 | 112.5 | S101 D107 G108 | S101-R105 PolarHBondContact O-N 2.88Å; S101-R105 VanDerWaalsContact O-N 3.13Å; R105-D107 VanDerWaalsContact C-N 3.32Å; R105-D107 PolarHBondContact O-N 3.3Å; R105-G108 PolarHBondContact O-N 3.04Å | ||
| 106 | E | 54.6 | Low | 71.5 | Confident | 198 Ų | 198 | 83.3 Ų | 83.3 | 93% | 0.925 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -30.1 | 177.3 | -60.7 | -175.7 | 136.5 | 0 | 0 | 112.3 | G108 | E106-G108 VanDerWaalsContact C-N 3.27Å; E106-G108 PolarHBondContact O-N 3.44Å |
| 107 | D | 52.4 | Low | 71.6 | Confident | 165 Ų | 165 | 80 Ų | 80 | 88% | 0.882 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 18.9 | 177.9 | -50.1 | -63.9 | 0 | 0 | 0 | 114.3 | R105 | R105-D107 VanDerWaalsContact C-N 3.32Å; R105-D107 PolarHBondContact O-N 3.3Å |
| 108 | G | 55.7 | Low | 72 | Confident | 22 Ų | 22 | 78 Ų | 78 | 23% | 0.227 | 41% | 0.408 | C | S | . | . | trans | -79.2 | 128.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | R105 E106 S110 | R105-G108 PolarHBondContact O-N 3.04Å; E106-G108 VanDerWaalsContact C-N 3.27Å; E106-G108 PolarHBondContact O-N 3.44Å; G108-S110 PolarHBondContact O-N 3.27Å | ||
| 109 | E | 61.3 | Low | 72.4 | Confident | 109 Ų | 109 | 80.9 Ų | 80.9 | 51% | 0.509 | 42% | 0.424 | S | S | . | . | trans | -39.8 | 131.8 | 165.3 | -71.4 | 162 | -160.2 | 0 | 0 | 110.7 | I114 | E109-I114 HydrophobicContact CB-CD1 3.88Å; E109-I114 HydrophobicContact CB-CG1 4.24Å | ||
| 110 | S | 70.7 | Confident | 73 | Confident | 20 Ų | 20 | 80.3 Ų | 80.3 | 14% | 0.14 | 44% | 0.439 | C | S | . | . | trans | -83.4 | 145.6 | -173.7 | 89.5 | 0 | 0 | 0 | 0 | 111.9 | K102 G108 P112 D113 I114 | K102-S110 VanDerWaalsContact NZ-CB 3.26Å; G108-S110 PolarHBondContact O-N 3.27Å; S110-P112 VanDerWaalsContact C-N 3.31Å; S110-P112 WeakPolarHBondContact OG-CD 3.5Å; S110-P112 WeakPolarHBondContact OG-CG 3.44Å; S110-D113 WeakPolarHBondContact CA-OD2 3.48Å; S110-D113 WeakPolarHBondContact CB-OD2 3.32Å; S110-D113 PolarHBondContact N-OD2 3.47Å; S110-D113 WeakPolarHBondContact O-CA 3.37Å; S110-D113 WeakPolarHBondContact O-CB 3.24Å; S110-D113 PolarHBondContact O-N 2.98Å; S110-D113 PolarHBondContact OG-N 3.17Å; S110-D113 PolarHBondContact OG-OD1 2.81Å; S110-D113 PolarHBondContact OG-OD2 2.87Å; S110-I114 PolarHBondContact O-N 3.29Å; S110-I114 VanDerWaalsContact O-N 3.09Å | ||
| 111 | L | 74.3 | Confident | 73.6 | Confident | 44 Ų | 44 | 78.2 Ų | 78.2 | 23% | 0.23 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -46.1 | -46.4 | 174.7 | -172.9 | 72.7 | 0 | 0 | 0 | 113.4 | L95 T98 E99 I114 I115 | L95-L111 HydrophobicContact CB-CD1 4.02Å; L95-L111 HydrophobicContact CD2-CD1 3.63Å; L95-L111 HydrophobicContact CG-CD1 4.38Å; T98-L111 WeakPolarHBondContact OG1-CD1 3.11Å; E99-L111 HydrophobicContact CG-CD1 3.99Å; E99-L111 HydrophobicContact CG-CD2 3.99Å; E99-L111 WeakPolarHBondContact OE1-CD2 3.41Å; L111-I114 PolarHBondContact O-N 3.22Å; L111-I115 PolarHBondContact O-N 2.92Å |
| 112 | P | 76.5 | Confident | 74.5 | Confident | 68 Ų | 68 | 77.3 Ų | 77.3 | 44% | 0.442 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.5 | -27 | 175.8 | 26.3 | -34.1 | 0 | 0 | 0 | 114.3 | S110 I114 N116 | S110-P112 VanDerWaalsContact C-N 3.31Å; S110-P112 WeakPolarHBondContact OG-CD 3.5Å; S110-P112 WeakPolarHBondContact OG-CG 3.44Å; P112-I114 VanDerWaalsContact C-N 3.34Å; P112-N116 VanDerWaalsContact O-CB 3.26Å; P112-N116 WeakPolarHBondContact O-CB 3.41Å; P112-N116 PolarHBondContact O-N 3.09Å; P112-N116 PolarHBondContact O-ND2 3.28Å |
| 113 | D | 81.3 | Confident | 76.1 | Confident | 102 Ų | 102 | 74.6 Ų | 74.6 | 55% | 0.545 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.7 | -39.1 | 174.2 | -50.4 | -38.9 | 0 | 0 | 0 | 110.5 | S110 C117 | S110-D113 WeakPolarHBondContact CA-OD2 3.48Å; S110-D113 WeakPolarHBondContact CB-OD2 3.32Å; S110-D113 PolarHBondContact N-OD2 3.47Å; S110-D113 WeakPolarHBondContact O-CA 3.37Å; S110-D113 WeakPolarHBondContact O-CB 3.24Å; S110-D113 PolarHBondContact O-N 2.98Å; S110-D113 PolarHBondContact OG-N 3.17Å; S110-D113 PolarHBondContact OG-OD1 2.81Å; S110-D113 PolarHBondContact OG-OD2 2.87Å; D113-C117 WeakPolarHBondContact O-CA 3.47Å; D113-C117 WeakPolarHBondContact O-CB 3.29Å; D113-C117 PolarHBondContact O-N 2.91Å |
| 114 | I | 85 | Confident | 77.8 | Confident | 6 Ų | 6 | 70.5 Ų | 70.5 | 3% | 0.031 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -73.9 | -40.2 | 179.8 | -65.3 | 174.3 | 0 | 0 | 0 | 111.1 | F79 L95 T98 E109 S110 L111 P112 C117 | F79-I114 HydrophobicContact CB-CG2 4.41Å; F79-I114 WeakPolarHBondContact CD1-O 3.37Å; F79-I114 HydrophobicContact CG-CG2 4.28Å; L95-I114 HydrophobicContact CD2-CG2 4.31Å; T98-I114 HydrophobicContact CG2-CD1 3.31Å; E109-I114 HydrophobicContact CB-CD1 3.88Å; E109-I114 HydrophobicContact CB-CG1 4.24Å; S110-I114 PolarHBondContact O-N 3.29Å; S110-I114 VanDerWaalsContact O-N 3.09Å; L111-I114 PolarHBondContact O-N 3.22Å; P112-I114 VanDerWaalsContact C-N 3.34Å; I114-C117 WeakPolarHBondContact O-CB 3.41Å; I114-C117 PolarHBondContact O-N 3.4Å; I114-C117 PolarHBondContact O-SG 3.3Å |
| 115 | I | 88.2 | Confident | 79.5 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -75.2 | -27.8 | 179.7 | -149.7 | 176.4 | 0 | 0 | 0 | 113.1 | F79 L95 L111 L141 H144 A146 | F79-I115 HydrophobicContact CE1-CG1 4.2Å; F79-I115 HydrophobicContact CZ-CG1 3.9Å; L95-I115 HydrophobicContact CD1-CD1 4.18Å; L95-I115 HydrophobicContact CD2-CB 4.38Å; L95-I115 HydrophobicContact CD2-CG1 4.46Å; L111-I115 PolarHBondContact O-N 2.92Å; I115-L141 HydrophobicContact CD1-CD2 4.4Å; I115-L141 HydrophobicContact CG1-CD2 4.02Å; I115-H144 HydrophobicContact CD1-CB 3.47Å; I115-H144 VanDerWaalsContact CD1-CB 3.47Å; I115-H144 WeakPolarHBondContact CD1-O 3.4Å; I115-A146 HydrophobicContact CD1-CB 4.27Å; I115-A146 HydrophobicContact CG1-CB 4.28Å; I115-A146 HydrophobicContact CG2-CB 4.46Å |
| 116 | N | 89.8 | Confident | 81.4 | Confident | 36 Ų | 36 | 55.3 Ų | 55.3 | 19% | 0.193 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 14 | 175.4 | -59.8 | -65.4 | 0 | 0 | 0 | 112.8 | P112 T124 G147 | P112-N116 VanDerWaalsContact O-CB 3.26Å; P112-N116 WeakPolarHBondContact O-CB 3.41Å; P112-N116 PolarHBondContact O-N 3.09Å; P112-N116 PolarHBondContact O-ND2 3.28Å; N116-T124 WeakPolarHBondContact O-CG2 3.44Å; N116-G147 PolarHBondContact OD1-N 2.97Å |
| 117 | C | 89.2 | Confident | 83.4 | Confident | 13 Ų | 13 | 45.9 Ų | 45.9 | 9% | 0.088 | 28% | 0.276 | C | S | . | . | trans | -62.4 | 149.7 | 176.7 | 72 | 0 | 0 | 0 | 0 | 111.2 | A76 D113 I114 T124 | A76-C117 HydrophobicContact CB-CB 3.56Å; D113-C117 WeakPolarHBondContact O-CA 3.47Å; D113-C117 WeakPolarHBondContact O-CB 3.29Å; D113-C117 PolarHBondContact O-N 2.91Å; I114-C117 WeakPolarHBondContact O-CB 3.41Å; I114-C117 PolarHBondContact O-N 3.4Å; I114-C117 PolarHBondContact O-SG 3.3Å; C117-T124 WeakPolarHBondContact O-CA 3.26Å; C117-T124 WeakPolarHBondContact O-CB 3.23Å | ||
| 118 | S | 92.1 | Very high | 85.4 | Confident | 60 Ų | 60 | 41.1 Ų | 41.1 | 42% | 0.42 | 25% | 0.248 | S | C | . | . | B | Isolated β-bridge | trans | -130 | 162.4 | -172.9 | 47.5 | 0 | 0 | 0 | 0 | 112 | G122 I123 | S118-G122 VanDerWaalsContact CB-C 3.43Å; S118-G122 VanDerWaalsContact CB-O 3.23Å; S118-G122 WeakPolarHBondContact CB-O 3.46Å; S118-I123 VanDerWaalsContact CA-O 3.29Å; S118-I123 WeakPolarHBondContact CA-O 3.29Å |
| 119 | N | 91.4 | Very high | 87.3 | Confident | 64 Ų | 64 | 40.2 Ų | 40.2 | 34% | 0.342 | 24% | 0.239 | S | C | . | . | trans | -79.6 | -172.3 | 166 | 78.2 | -10.8 | 0 | 0 | 0 | 111.3 | D121 G122 I123 | N119-D121 PolarHBondContact ND2-OD2 3.05Å; N119-D121 PolarHBondContact O-N 3.02Å; N119-D121 WeakPolarHBondContact OD1-CA 3.35Å; N119-D121 WeakPolarHBondContact OD1-CB 3.46Å; N119-D121 PolarHBondContact OD1-N 3.15Å; N119-G122 PolarHBondContact O-N 2.81Å; N119-G122 VanDerWaalsContact O-N 3.15Å; N119-G122 PolarHBondContact OD1-N 2.94Å; N119-I123 PolarHBondContact N-O 2.7Å; N119-I123 WeakPolarHBondContact OD1-CB 3.35Å; N119-I123 PolarHBondContact OD1-N 3.22Å | ||
| 120 | A | 89.8 | Confident | 89 | Confident | 103 Ų | 103 | 35 Ų | 35 | 85% | 0.851 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -25.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G122 | A120-G122 VanDerWaalsContact C-N 3.32Š|
| 121 | D | 88.6 | Confident | 90.1 | Very high | 83 Ų | 83 | 37.5 Ų | 37.5 | 44% | 0.444 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 10.1 | -177.8 | -31.2 | -57 | 0 | 0 | 0 | 111.4 | N119 I123 S153 | N119-D121 PolarHBondContact ND2-OD2 3.05Å; N119-D121 PolarHBondContact O-N 3.02Å; N119-D121 WeakPolarHBondContact OD1-CA 3.35Å; N119-D121 WeakPolarHBondContact OD1-CB 3.46Å; N119-D121 PolarHBondContact OD1-N 3.15Å; D121-I123 HydrophobicContact CB-CD1 4.15Å; D121-I123 HydrophobicContact CB-CG1 4.19Å; D121-I123 PolarHBondContact O-N 2.96Å; D121-S153 WeakPolarHBondContact O-CB 3.45Å; D121-S153 PolarHBondContact O-N 3.37Å; D121-S153 PolarHBondContact O-OG 3.18Å |
| 122 | G | 91.4 | Very high | 91 | Very high | 17 Ų | 17 | 38.2 Ų | 38.2 | 18% | 0.175 | 23% | 0.229 | C | C | . | . | trans | 75.6 | -5.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | S118 N119 A120 T124 | S118-G122 VanDerWaalsContact CB-C 3.43Å; S118-G122 VanDerWaalsContact CB-O 3.23Å; S118-G122 WeakPolarHBondContact CB-O 3.46Å; N119-G122 PolarHBondContact O-N 2.81Å; N119-G122 VanDerWaalsContact O-N 3.15Å; N119-G122 PolarHBondContact OD1-N 2.94Å; A120-G122 VanDerWaalsContact C-N 3.32Å; G122-T124 PolarHBondContact O-N 2.95Å | ||
| 123 | I | 93.2 | Very high | 91.8 | Very high | 42 Ų | 42 | 36.3 Ų | 36.3 | 22% | 0.215 | 22% | 0.222 | C | C | . | . | trans | -66.1 | 117.8 | -178.4 | -58.4 | 172.2 | 0 | 0 | 0 | 109.6 | S118 N119 D121 H127 D152 | S118-I123 VanDerWaalsContact CA-O 3.29Å; S118-I123 WeakPolarHBondContact CA-O 3.29Å; N119-I123 PolarHBondContact N-O 2.7Å; N119-I123 WeakPolarHBondContact OD1-CB 3.35Å; N119-I123 PolarHBondContact OD1-N 3.22Å; D121-I123 HydrophobicContact CB-CD1 4.15Å; D121-I123 HydrophobicContact CB-CG1 4.19Å; D121-I123 PolarHBondContact O-N 2.96Å; I123-H127 HydrophobicContact CG2-CB 3.68Å; I123-D152 HydrophobicContact CG1-CB 4.43Å | ||
| 124 | T | 94.9 | Very high | 92.4 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -89.3 | 168.9 | 177.5 | 68.4 | 0 | 0 | 0 | 0 | 113 | N116 C117 G122 L126 H127 Q128 Q150 | N116-T124 WeakPolarHBondContact O-CG2 3.44Å; C117-T124 WeakPolarHBondContact O-CA 3.26Å; C117-T124 WeakPolarHBondContact O-CB 3.23Å; G122-T124 PolarHBondContact O-N 2.95Å; T124-L126 PolarHBondContact O-N 3.46Å; T124-L126 VanDerWaalsContact O-N 3.1Å; T124-L126 PolarHBondContact OG1-N 3.09Å; T124-H127 PolarHBondContact O-N 3.01Å; T124-H127 VanDerWaalsContact O-N 3.09Å; T124-H127 PolarHBondContact OG1-ND1 3.16Å; T124-Q128 PolarHBondContact O-N 3.1Å; T124-Q150 HydrophobicContact CG2-CG 3.86Å |
| 125 | A | 94.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -50.9 | -33.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F79 L80 C83 A129 L141 | F79-A125 HydrophobicContact CE1-CB 4.05Å; L80-A125 HydrophobicContact CD2-CB 4.01Å; C83-A125 HydrophobicContact CB-CB 3.98Å; A125-A129 WeakPolarHBondContact O-CB 3.48Å; A125-A129 PolarHBondContact O-N 3.48Å; A125-L141 HydrophobicContact CB-CD1 3.87Å; A125-L141 HydrophobicContact CB-CD2 4.17Å |
| 126 | L | 95.9 | Very high | 93.2 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -73.9 | -41.1 | 179.4 | -177.3 | 60.3 | 0 | 0 | 0 | 112.2 | T124 A129 C130 V138 L141 L142 A146 P158 | T124-L126 PolarHBondContact O-N 3.46Å; T124-L126 VanDerWaalsContact O-N 3.1Å; T124-L126 PolarHBondContact OG1-N 3.09Å; L126-A129 PolarHBondContact O-N 3.33Å; L126-C130 PolarHBondContact O-N 3.45Å; L126-C130 VanDerWaalsContact O-N 3.13Å; L126-C130 PolarHBondContact O-SG 3.04Å; L126-V138 HydrophobicContact CD1-CB 4.42Å; L126-V138 HydrophobicContact CD1-CG1 4.02Å; L126-V138 HydrophobicContact CD1-CG2 4.43Å; L126-L141 HydrophobicContact CB-CD1 4.14Å; L126-L141 HydrophobicContact CD1-CB 4.35Å; L126-L141 HydrophobicContact CD1-CD1 4.36Å; L126-L142 HydrophobicContact CD1-CD1 4.31Å; L126-L142 HydrophobicContact CD1-CD2 4.23Å; L126-L142 HydrophobicContact CD1-CG 4.02Å; L126-L142 HydrophobicContact CD2-CD2 3.6Å; L126-L142 HydrophobicContact CD2-CG 4.29Å; L126-A146 HydrophobicContact CD2-CB 4.32Å; L126-P158 HydrophobicContact CB-CG 4.45Å; L126-P158 HydrophobicContact CD2-CB 4.22Å; L126-P158 HydrophobicContact CD2-CG 3.69Å; L126-P158 HydrophobicContact CG-CB 4.01Å; L126-P158 HydrophobicContact CG-CG 3.76Å |
| 127 | H | 95.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.1 | -48.7 | 172.3 | -69.6 | 88.1 | 0 | 0 | 0 | 110.5 | I123 T124 A129 C130 I131 Q150 W156 P158 | I123-H127 HydrophobicContact CG2-CB 3.68Å; T124-H127 PolarHBondContact O-N 3.01Å; T124-H127 VanDerWaalsContact O-N 3.09Å; T124-H127 PolarHBondContact OG1-ND1 3.16Å; H127-A129 VanDerWaalsContact C-N 3.32Å; H127-A129 PolarHBondContact O-N 3.11Å; H127-C130 WeakPolarHBondContact O-CB 3.4Å; H127-C130 PolarHBondContact O-N 2.93Å; H127-C130 VanDerWaalsContact O-N 3.07Å; H127-I131 WeakPolarHBondContact O-CG1 3.39Å; H127-I131 PolarHBondContact O-N 3.3Å; H127-Q150 PolarHBondContact CE1-O 3.22Å; H127-Q150 VanDerWaalsContact CE1-O 3.24Å; H127-W156 PolarHBondContact NE2-O 2.64Å; H127-P158 WeakPolarHBondContact NE2-CD 3.41Å |
| 128 | Q | 94.8 | Very high | 93.7 | Very high | 65 Ų | 65 | 39 Ų | 39 | 30% | 0.304 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.9 | -40.3 | 178.2 | -173.8 | 60 | 58 | 0 | 0 | 112.3 | A84 T124 C130 I131 D132 | A84-Q128 HydrophobicContact CB-CG 4.38Å; T124-Q128 PolarHBondContact O-N 3.1Å; Q128-C130 VanDerWaalsContact C-N 3.29Å; Q128-C130 PolarHBondContact O-N 3.02Å; Q128-I131 PolarHBondContact O-N 3.43Å; Q128-D132 PolarHBondContact NE2-OD2 2.95Å; Q128-D132 WeakPolarHBondContact O-CB 3.41Å; Q128-D132 PolarHBondContact O-N 3.29Å |
| 129 | A | 95.2 | Very high | 93.8 | Very high | 3 Ų | 3 | 38 Ų | 38 | 3% | 0.025 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63 | -33.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A125 L126 H127 G133 S134 I137 V138 L141 | A125-A129 WeakPolarHBondContact O-CB 3.48Å; A125-A129 PolarHBondContact O-N 3.48Å; L126-A129 PolarHBondContact O-N 3.33Å; H127-A129 VanDerWaalsContact C-N 3.32Å; H127-A129 PolarHBondContact O-N 3.11Å; A129-G133 PolarHBondContact O-N 3.37Å; A129-S134 PolarHBondContact O-N 3.4Å; A129-I137 HydrophobicContact CB-CB 3.91Å; A129-I137 HydrophobicContact CB-CG2 3.78Å; A129-V138 HydrophobicContact CB-CG2 3.75Å; A129-L141 HydrophobicContact CB-CD1 4.36Å |
| 130 | C | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.4 | -42.5 | 172.1 | -65.3 | 0 | 0 | 0 | 0 | 112 | L126 H127 Q128 D132 G133 V161 Y167 | L126-C130 PolarHBondContact O-N 3.45Å; L126-C130 VanDerWaalsContact O-N 3.13Å; L126-C130 PolarHBondContact O-SG 3.04Å; H127-C130 WeakPolarHBondContact O-CB 3.4Å; H127-C130 PolarHBondContact O-N 2.93Å; H127-C130 VanDerWaalsContact O-N 3.07Å; Q128-C130 VanDerWaalsContact C-N 3.29Å; Q128-C130 PolarHBondContact O-N 3.02Å; C130-D132 VanDerWaalsContact C-N 3.33Å; C130-D132 PolarHBondContact O-N 3.35Å; C130-G133 PolarHBondContact O-N 3.25Å; C130-V161 HydrophobicContact CB-CB 4.18Å; C130-V161 HydrophobicContact CB-CG1 3.62Å; C130-Y167 VanDerWaalsContact O-CD2 3.28Å; C130-Y167 WeakPolarHBondContact O-CD2 3.3Å; C130-Y167 VanDerWaalsContact O-CE2 3.29Å; C130-Y167 WeakPolarHBondContact O-CE2 3.29Å |
| 131 | I | 94.9 | Very high | 94.2 | Very high | 72 Ų | 72 | 30.9 Ų | 30.9 | 37% | 0.369 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.6 | -43.4 | 173.5 | -61.1 | 170.9 | 0 | 0 | 0 | 111 | H127 Q128 G133 V161 | H127-I131 WeakPolarHBondContact O-CG1 3.39Å; H127-I131 PolarHBondContact O-N 3.3Å; Q128-I131 PolarHBondContact O-N 3.43Å; I131-G133 PolarHBondContact O-N 3.23Å; I131-V161 HydrophobicContact CB-CG1 4.45Å; I131-V161 HydrophobicContact CG1-CG1 3.52Å |
| 132 | D | 93.1 | Very high | 94.4 | Very high | 59 Ų | 59 | 27.7 Ų | 27.7 | 32% | 0.316 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 0.9 | -179.9 | -89.9 | -62 | 0 | 0 | 0 | 114.4 | Q128 C130 S134 | Q128-D132 PolarHBondContact NE2-OD2 2.95Å; Q128-D132 WeakPolarHBondContact O-CB 3.41Å; Q128-D132 PolarHBondContact O-N 3.29Å; C130-D132 VanDerWaalsContact C-N 3.33Å; C130-D132 PolarHBondContact O-N 3.35Å; D132-S134 PolarHBondContact O-N 3.41Å; D132-S134 PolarHBondContact O-OG 3.22Å |
| 133 | G | 93.8 | Very high | 94.5 | Very high | 28 Ų | 28 | 33.4 Ų | 33.4 | 29% | 0.289 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 27.7 | 180 | 0 | 0 | 0 | 0 | 0 | 114.1 | A129 C130 I131 | A129-G133 PolarHBondContact O-N 3.37Å; C130-G133 PolarHBondContact O-N 3.25Å; I131-G133 PolarHBondContact O-N 3.23Å |
| 134 | S | 94.1 | Very high | 94.3 | Very high | 18 Ų | 18 | 34.6 Ų | 34.6 | 13% | 0.126 | 18% | 0.18 | C | C | . | . | trans | -105.9 | 80.5 | -164.1 | -63.8 | 0 | 0 | 0 | 0 | 111.6 | A129 D132 E136 I137 V138 | A129-S134 PolarHBondContact O-N 3.4Å; D132-S134 PolarHBondContact O-N 3.41Å; D132-S134 PolarHBondContact O-OG 3.22Å; S134-E136 PolarHBondContact O-N 3.1Å; S134-E136 VanDerWaalsContact O-N 3.17Å; S134-I137 WeakPolarHBondContact O-CB 3.33Å; S134-I137 PolarHBondContact O-N 2.85Å; S134-V138 PolarHBondContact O-N 3.23Å | ||
| 135 | I | 94.3 | Very high | 94 | Very high | 56 Ų | 56 | 36.9 Ų | 36.9 | 29% | 0.287 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -53.7 | -34.9 | -175.3 | -174.5 | 63.2 | 0 | 0 | 0 | 113.3 | I137 V138 T139 I170 F173 | I135-I137 PolarHBondContact O-N 2.76Å; I135-V138 HydrophobicContact CD1-CB 4.49Å; I135-V138 PolarHBondContact O-N 2.98Å; I135-T139 HydrophobicContact CD1-CG2 4.27Å; I135-T139 HydrophobicContact CG1-CG2 4.22Å; I135-T139 WeakPolarHBondContact O-CG2 3.44Å; I135-T139 PolarHBondContact O-N 3.25Å; I135-T139 PolarHBondContact O-OG1 2.91Å; I135-I170 HydrophobicContact CB-CG1 4.32Å; I135-I170 HydrophobicContact CD1-CG1 4.03Å; I135-F173 HydrophobicContact CD1-CB 4.1Å; I135-F173 HydrophobicContact CD1-CD1 4.32Å; I135-F173 HydrophobicContact CD1-CG 4.22Å |
| 136 | E | 94.1 | Very high | 94 | Very high | 129 Ų | 129 | 37.2 Ų | 37.2 | 60% | 0.603 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -66.1 | -22.2 | 179.2 | -56.1 | 92.6 | 152.3 | 0 | 0 | 113.6 | S134 T139 F140 | S134-E136 PolarHBondContact O-N 3.1Å; S134-E136 VanDerWaalsContact O-N 3.17Å; E136-T139 WeakPolarHBondContact CA-OG1 3.38Å; E136-T139 PolarHBondContact O-OG1 3.17Å; E136-T139 VanDerWaalsContact O-OG1 3.1Å; E136-F140 WeakPolarHBondContact O-CB 3.48Å; E136-F140 PolarHBondContact O-N 3.01Å |
| 137 | I | 94.2 | Very high | 93.8 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -88.8 | -38.8 | 176.6 | -49.4 | 174.4 | 0 | 0 | 0 | 109.3 | C83 A129 S134 I135 F140 L141 | C83-I137 HydrophobicContact CB-CG2 4.49Å; C83-I137 WeakPolarHBondContact O-CD1 3.49Å; A129-I137 HydrophobicContact CB-CB 3.91Å; A129-I137 HydrophobicContact CB-CG2 3.78Å; S134-I137 WeakPolarHBondContact O-CB 3.33Å; S134-I137 PolarHBondContact O-N 2.85Å; I135-I137 PolarHBondContact O-N 2.76Å; I137-F140 PolarHBondContact O-N 2.9Å; I137-L141 HydrophobicContact CG2-CD1 4.02Å; I137-L141 HydrophobicContact CG2-CG 4.39Å; I137-L141 WeakPolarHBondContact O-CB 3.45Å; I137-L141 VanDerWaalsContact O-CG 3.29Å; I137-L141 WeakPolarHBondContact O-CG 3.34Å; I137-L141 PolarHBondContact O-N 3.22Å |
| 138 | V | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.8 | -45 | 172.8 | 177.4 | 0 | 0 | 0 | 0 | 111 | L126 A129 S134 I135 L142 I170 F173 | L126-V138 HydrophobicContact CD1-CB 4.42Å; L126-V138 HydrophobicContact CD1-CG1 4.02Å; L126-V138 HydrophobicContact CD1-CG2 4.43Å; A129-V138 HydrophobicContact CB-CG2 3.75Å; S134-V138 PolarHBondContact O-N 3.23Å; I135-V138 HydrophobicContact CD1-CB 4.49Å; I135-V138 PolarHBondContact O-N 2.98Å; V138-L142 HydrophobicContact CG1-CD1 3.89Å; V138-L142 WeakPolarHBondContact O-CB 3.46Å; V138-L142 VanDerWaalsContact O-CG 3.28Å; V138-L142 WeakPolarHBondContact O-CG 3.32Å; V138-L142 PolarHBondContact O-N 3.24Å; V138-L142 VanDerWaalsContact O-N 3.11Å; V138-I170 HydrophobicContact CG1-CG2 4.37Å; V138-I170 HydrophobicContact CG2-CG2 4.21Å; V138-F173 HydrophobicContact CG1-CD1 4Å; V138-F173 HydrophobicContact CG1-CE1 4.38Å |
| 139 | T | 95.2 | Very high | 93.7 | Very high | 37 Ų | 37 | 39.8 Ų | 39.8 | 23% | 0.227 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.3 | -49.9 | 175.5 | 56.2 | 0 | 0 | 0 | 0 | 111.1 | I135 E136 L141 L142 E143 F173 | I135-T139 HydrophobicContact CD1-CG2 4.27Å; I135-T139 HydrophobicContact CG1-CG2 4.22Å; I135-T139 WeakPolarHBondContact O-CG2 3.44Å; I135-T139 PolarHBondContact O-N 3.25Å; I135-T139 PolarHBondContact O-OG1 2.91Å; E136-T139 WeakPolarHBondContact CA-OG1 3.38Å; E136-T139 PolarHBondContact O-OG1 3.17Å; E136-T139 VanDerWaalsContact O-OG1 3.1Å; T139-L141 PolarHBondContact O-N 3.22Å; T139-L142 PolarHBondContact O-N 3.14Å; T139-E143 WeakPolarHBondContact O-CB 3.32Å; T139-E143 WeakPolarHBondContact O-CG 3.28Å; T139-E143 PolarHBondContact O-N 2.76Å; T139-F173 HydrophobicContact CG2-CD1 4.33Å; T139-F173 HydrophobicContact CG2-CE1 3.75Å; T139-F173 HydrophobicContact CG2-CE2 4Å; T139-F173 HydrophobicContact CG2-CZ 3.55Å |
| 140 | F | 94.5 | Very high | 93.7 | Very high | 19 Ų | 19 | 43.3 Ų | 43.3 | 8% | 0.083 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.1 | -51.2 | 178.6 | 170.1 | -99.7 | 0 | 0 | 0 | 112.5 | T88 A91 K92 L95 E136 I137 L142 E143 H144 | T88-F140 HydrophobicContact CG2-CB 4.25Å; T88-F140 HydrophobicContact CG2-CD1 4.33Å; T88-F140 HydrophobicContact CG2-CG 4.12Å; A91-F140 HydrophobicContact CB-CE1 3.78Å; A91-F140 HydrophobicContact CB-CZ 4.05Å; K92-F140 HydrophobicContact CB-CE2 3.79Å; K92-F140 HydrophobicContact CB-CZ 3.9Å; K92-F140 HydrophobicContact CD-CE2 4.22Å; K92-F140 HydrophobicContact CG-CE2 4.14Å; L95-F140 HydrophobicContact CD1-CE1 4.45Å; L95-F140 HydrophobicContact CD1-CZ 4.09Å; E136-F140 WeakPolarHBondContact O-CB 3.48Å; E136-F140 PolarHBondContact O-N 3.01Å; I137-F140 PolarHBondContact O-N 2.9Å; F140-L142 PolarHBondContact O-N 3.08Å; F140-E143 PolarHBondContact O-N 2.94Å; F140-H144 AromaticContact CD2-CE1 3.47Å; F140-H144 VanDerWaalsContact CD2-CE1 3.47Å; F140-H144 WeakPolarHBondContact CD2-CE1 3.34Å; F140-H144 AromaticContact CD2-ND1 3.64Å; F140-H144 AromaticContact CE2-CE1 3.24Å; F140-H144 WeakPolarHBondContact CE2-CE1 3.25Å; F140-H144 AromaticContact CE2-ND1 3.56Å; F140-H144 AromaticContact CE2-NE2 3.8Å; F140-H144 PolarHBondContact O-N 2.91Å; F140-H144 VanDerWaalsContact O-N 3.16Å; F140-H144 PolarHBondContact O-ND1 3.07Å |
| 141 | L | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.5 | -42.3 | -179.3 | -71.7 | 171.1 | 0 | 0 | 0 | 112.1 | F79 I115 A125 L126 A129 I137 T139 E143 H144 G145 A146 | F79-L141 HydrophobicContact CE1-CD2 4.13Å; F79-L141 HydrophobicContact CZ-CD2 3.78Å; I115-L141 HydrophobicContact CD1-CD2 4.4Å; I115-L141 HydrophobicContact CG1-CD2 4.02Å; A125-L141 HydrophobicContact CB-CD1 3.87Å; A125-L141 HydrophobicContact CB-CD2 4.17Å; L126-L141 HydrophobicContact CB-CD1 4.14Å; L126-L141 HydrophobicContact CD1-CB 4.35Å; L126-L141 HydrophobicContact CD1-CD1 4.36Å; A129-L141 HydrophobicContact CB-CD1 4.36Å; I137-L141 HydrophobicContact CG2-CD1 4.02Å; I137-L141 HydrophobicContact CG2-CG 4.39Å; I137-L141 WeakPolarHBondContact O-CB 3.45Å; I137-L141 VanDerWaalsContact O-CG 3.29Å; I137-L141 WeakPolarHBondContact O-CG 3.34Å; I137-L141 PolarHBondContact O-N 3.22Å; T139-L141 PolarHBondContact O-N 3.22Å; L141-E143 VanDerWaalsContact C-N 3.29Å; L141-E143 PolarHBondContact O-N 3.19Å; L141-H144 PolarHBondContact O-N 3.48Å; L141-G145 PolarHBondContact O-N 3.13Å; L141-A146 HydrophobicContact CB-CB 3.92Å; L141-A146 VanDerWaalsContact O-CB 3.3Å; L141-A146 WeakPolarHBondContact O-CB 3.41Å; L141-A146 PolarHBondContact O-N 3.39Å |
| 142 | L | 93.9 | Very high | 93.5 | Very high | 15 Ų | 15 | 43.9 Ų | 43.9 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -78.1 | -9.4 | 179.8 | -65.6 | -179.4 | 0 | 0 | 0 | 114.2 | L126 V138 T139 F140 A146 V148 F173 L174 K177 | L126-L142 HydrophobicContact CD1-CD1 4.31Å; L126-L142 HydrophobicContact CD1-CD2 4.23Å; L126-L142 HydrophobicContact CD1-CG 4.02Å; L126-L142 HydrophobicContact CD2-CD2 3.6Å; L126-L142 HydrophobicContact CD2-CG 4.29Å; V138-L142 HydrophobicContact CG1-CD1 3.89Å; V138-L142 WeakPolarHBondContact O-CB 3.46Å; V138-L142 VanDerWaalsContact O-CG 3.28Å; V138-L142 WeakPolarHBondContact O-CG 3.32Å; V138-L142 PolarHBondContact O-N 3.24Å; V138-L142 VanDerWaalsContact O-N 3.11Å; T139-L142 PolarHBondContact O-N 3.14Å; F140-L142 PolarHBondContact O-N 3.08Å; L142-A146 HydrophobicContact CD2-CB 4.28Å; L142-A146 VanDerWaalsContact CD2-O 3.32Å; L142-A146 WeakPolarHBondContact CD2-O 3.45Å; L142-V148 HydrophobicContact CD2-CB 4.38Å; L142-V148 HydrophobicContact CD2-CG2 3.58Å; L142-F173 HydrophobicContact CB-CE1 4.35Å; L142-F173 HydrophobicContact CD1-CD1 4.18Å; L142-F173 HydrophobicContact CD1-CE1 3.97Å; L142-L174 HydrophobicContact CD1-CD2 3.81Å; L142-K177 HydrophobicContact CB-CD 4.37Å; L142-K177 HydrophobicContact CD1-CB 4.29Å; L142-K177 HydrophobicContact CD1-CG 4.09Å; L142-K177 PolarHBondContact O-NZ 2.99Å |
| 143 | E | 92.8 | Very high | 93.4 | Very high | 137 Ų | 137 | 44 Ų | 44 | 64% | 0.64 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -87.7 | -30 | 167.7 | -76.3 | 176.1 | -178.8 | 0 | 0 | 112.1 | T139 F140 L141 | T139-E143 WeakPolarHBondContact O-CB 3.32Å; T139-E143 WeakPolarHBondContact O-CG 3.28Å; T139-E143 PolarHBondContact O-N 2.76Å; F140-E143 PolarHBondContact O-N 2.94Å; L141-E143 VanDerWaalsContact C-N 3.29Å; L141-E143 PolarHBondContact O-N 3.19Å |
| 144 | H | 89.8 | Confident | 93.2 | Very high | 68 Ų | 68 | 48 Ų | 48 | 32% | 0.315 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 6.7 | 176.7 | -63.6 | 76.1 | 0 | 0 | 0 | 113.5 | L95 I115 F140 L141 | L95-H144 HydrophobicContact CD1-CB 4.09Å; I115-H144 HydrophobicContact CD1-CB 3.47Å; I115-H144 VanDerWaalsContact CD1-CB 3.47Å; I115-H144 WeakPolarHBondContact CD1-O 3.4Å; F140-H144 AromaticContact CD2-CE1 3.47Å; F140-H144 VanDerWaalsContact CD2-CE1 3.47Å; F140-H144 WeakPolarHBondContact CD2-CE1 3.34Å; F140-H144 AromaticContact CD2-ND1 3.64Å; F140-H144 AromaticContact CE2-CE1 3.24Å; F140-H144 WeakPolarHBondContact CE2-CE1 3.25Å; F140-H144 AromaticContact CE2-ND1 3.56Å; F140-H144 AromaticContact CE2-NE2 3.8Å; F140-H144 PolarHBondContact O-N 2.91Å; F140-H144 VanDerWaalsContact O-N 3.16Å; F140-H144 PolarHBondContact O-ND1 3.07Å; L141-H144 PolarHBondContact O-N 3.48Å |
| 145 | G | 88.4 | Confident | 93.1 | Very high | 51 Ų | 51 | 47.9 Ų | 47.9 | 53% | 0.526 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.3 | 22 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | L141 | L141-G145 PolarHBondContact O-N 3.13Š|
| 146 | A | 92.5 | Very high | 93.1 | Very high | 8 Ų | 8 | 47.4 Ų | 47.4 | 7% | 0.066 | 26% | 0.264 | C | S | . | . | trans | -62.7 | 143.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I115 L126 L141 L142 V148 | I115-A146 HydrophobicContact CD1-CB 4.27Å; I115-A146 HydrophobicContact CG1-CB 4.28Å; I115-A146 HydrophobicContact CG2-CB 4.46Å; L126-A146 HydrophobicContact CD2-CB 4.32Å; L141-A146 HydrophobicContact CB-CB 3.92Å; L141-A146 VanDerWaalsContact O-CB 3.3Å; L141-A146 WeakPolarHBondContact O-CB 3.41Å; L141-A146 PolarHBondContact O-N 3.39Å; L142-A146 HydrophobicContact CD2-CB 4.28Å; L142-A146 VanDerWaalsContact CD2-O 3.32Å; L142-A146 WeakPolarHBondContact CD2-O 3.45Å; A146-V148 PolarHBondContact O-N 3.19Å; A146-V148 VanDerWaalsContact O-N 3.14Å | ||
| 147 | G | 92.4 | Very high | 93.2 | Very high | 25 Ų | 25 | 41.3 Ų | 41.3 | 26% | 0.258 | 24% | 0.235 | S | C | . | . | trans | -72.9 | 101.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112 | N116 N149 Q150 | N116-G147 PolarHBondContact OD1-N 2.97Å; G147-N149 PolarHBondContact O-N 3.31Å; G147-N149 VanDerWaalsContact O-N 3.08Å; G147-Q150 VanDerWaalsContact O-CB 3.32Å; G147-Q150 WeakPolarHBondContact O-CB 3.29Å; G147-Q150 PolarHBondContact O-N 3.29Å | ||
| 148 | V | 94.9 | Very high | 93.3 | Very high | 22 Ų | 22 | 40.7 Ų | 40.7 | 13% | 0.133 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -34.2 | 177.2 | -170.9 | 0 | 0 | 0 | 0 | 112.8 | L142 A146 P158 L174 K177 A179 | L142-V148 HydrophobicContact CD2-CB 4.38Å; L142-V148 HydrophobicContact CD2-CG2 3.58Å; A146-V148 PolarHBondContact O-N 3.19Å; A146-V148 VanDerWaalsContact O-N 3.14Å; V148-P158 WeakPolarHBondContact O-CD 3.33Å; V148-L174 HydrophobicContact CG1-CD2 4.04Å; V148-K177 HydrophobicContact CG1-CB 4.5Å; V148-K177 HydrophobicContact CG2-CB 4.02Å; V148-A179 HydrophobicContact CG1-CB 3.63Å |
| 149 | N | 94.8 | Very high | 93.4 | Very high | 75 Ų | 75 | 40.7 Ų | 40.7 | 40% | 0.401 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 21.2 | -177.6 | -62.3 | -51.8 | 0 | 0 | 0 | 112.9 | G147 G178 A179 S180 | G147-N149 PolarHBondContact O-N 3.31Å; G147-N149 VanDerWaalsContact O-N 3.08Å; N149-G178 PolarHBondContact ND2-O 3.33Å; N149-A179 WeakPolarHBondContact OD1-CA 3.28Å; N149-S180 WeakPolarHBondContact OD1-CB 3.47Å; N149-S180 PolarHBondContact OD1-N 3.46Å |
| 150 | Q | 93.3 | Very high | 93.4 | Very high | 78 Ų | 78 | 38.9 Ų | 38.9 | 36% | 0.364 | 22% | 0.221 | S | C | . | . | trans | -63.1 | 137.9 | 169.5 | -177.3 | 53.9 | 53.4 | 0 | 0 | 108.9 | T124 H127 G147 P158 | T124-Q150 HydrophobicContact CG2-CG 3.86Å; H127-Q150 PolarHBondContact CE1-O 3.22Å; H127-Q150 VanDerWaalsContact CE1-O 3.24Å; G147-Q150 VanDerWaalsContact O-CB 3.32Å; G147-Q150 WeakPolarHBondContact O-CB 3.29Å; G147-Q150 PolarHBondContact O-N 3.29Å; Q150-P158 WeakPolarHBondContact O-CD 3.5Å | ||
| 151 | V | 94.1 | Very high | 93.5 | Very high | 64 Ų | 64 | 38.6 Ų | 38.6 | 39% | 0.388 | 22% | 0.221 | S | C | . | . | trans | -103.3 | 153.9 | 174.3 | -68.3 | 0 | 0 | 0 | 0 | 112.1 | G155 W156 T157 | V151-G155 WeakPolarHBondContact CG1-O 3.13Å; V151-W156 WeakPolarHBondContact CA-O 3.35Å; V151-T157 HydrophobicContact CG1-CG2 3.68Å | ||
| 152 | D | 93.3 | Very high | 93.6 | Very high | 19 Ų | 19 | 38.6 Ų | 38.6 | 10% | 0.102 | 22% | 0.221 | C | C | . | . | trans | -90.1 | -161.9 | 169.5 | 67.6 | 14.1 | 0 | 0 | 0 | 112.5 | I123 E154 G155 W156 | I123-D152 HydrophobicContact CG1-CB 4.43Å; D152-E154 VanDerWaalsContact C-N 3.34Å; D152-E154 PolarHBondContact OD1-N 2.69Å; D152-G155 PolarHBondContact OD1-N 2.96Å; D152-G155 VanDerWaalsContact OD1-N 3.15Å; D152-W156 PolarHBondContact N-O 3.12Å; D152-W156 VanDerWaalsContact N-O 3.17Å; D152-W156 PolarHBondContact OD1-N 3.05Å | ||
| 153 | S | 90.6 | Very high | 93.7 | Very high | 61 Ų | 61 | 37.9 Ų | 37.9 | 43% | 0.427 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -27.5 | 179 | 59.6 | 0 | 0 | 0 | 0 | 114.2 | D121 | D121-S153 WeakPolarHBondContact O-CB 3.45Å; D121-S153 PolarHBondContact O-N 3.37Å; D121-S153 PolarHBondContact O-OG 3.18Å |
| 154 | E | 89.7 | Confident | 93.8 | Very high | 113 Ų | 113 | 33.3 Ų | 33.3 | 53% | 0.528 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 9 | -177.9 | -63.4 | -177.9 | 173.4 | 0 | 0 | 111.9 | D152 W156 C186 | D152-E154 VanDerWaalsContact C-N 3.34Å; D152-E154 PolarHBondContact OD1-N 2.69Å; E154-W156 PolarHBondContact O-N 3.37Å; E154-C186 VanDerWaalsContact C-SG 3.51Å; E154-C186 VanDerWaalsContact O-CB 3.27Å; E154-C186 WeakPolarHBondContact O-CB 3.32Å; E154-C186 PolarHBondContact O-N 2.82Å; E154-C186 PolarHBondContact O-SG 3.39Å; E154-C186 VanDerWaalsContact O-SG 3.39Å |
| 155 | G | 92 | Very high | 94.1 | Very high | 15 Ų | 15 | 31.9 Ų | 31.9 | 16% | 0.155 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 74.8 | 5.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V151 D152 | V151-G155 WeakPolarHBondContact CG1-O 3.13Å; D152-G155 PolarHBondContact OD1-N 2.96Å; D152-G155 VanDerWaalsContact OD1-N 3.15Å |
| 156 | W | 95.1 | Very high | 94.3 | Very high | 46 Ų | 46 | 30 Ų | 30 | 17% | 0.174 | 18% | 0.178 | C | C | . | . | trans | -68.8 | 152.3 | 176.2 | -71.9 | 59.1 | 0 | 0 | 0 | 109.7 | H127 V151 D152 E154 H160 V161 N185 I194 | H127-W156 PolarHBondContact NE2-O 2.64Å; V151-W156 WeakPolarHBondContact CA-O 3.35Å; D152-W156 PolarHBondContact N-O 3.12Å; D152-W156 VanDerWaalsContact N-O 3.17Å; D152-W156 PolarHBondContact OD1-N 3.05Å; E154-W156 PolarHBondContact O-N 3.37Å; W156-H160 HydrophobicContact CB-CB 4.29Å; W156-H160 HydrophobicContact CD2-CB 4.09Å; W156-H160 HydrophobicContact CE3-CB 3.56Å; W156-H160 HydrophobicContact CG-CB 4.42Å; W156-H160 HydrophobicContact CZ3-CB 4.25Å; W156-V161 HydrophobicContact CE3-CG2 4.18Å; W156-N185 HydrophobicContact CG-CB 4.39Å; W156-N185 PolarHBondContact NE1-ND2 3.16Å; W156-I194 HydrophobicContact CH2-CD1 3.82Å; W156-I194 HydrophobicContact CH2-CG2 3.9Å; W156-I194 HydrophobicContact CZ2-CD1 3.88Å; W156-I194 HydrophobicContact CZ3-CD1 4.18Å; W156-I194 HydrophobicContact CZ3-CG2 4.43Å | ||
| 157 | T | 96.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | trans | -117.4 | 166.4 | 173.5 | 64.1 | 0 | 0 | 0 | 0 | 109.6 | V151 L159 H160 V161 A183 | V151-T157 HydrophobicContact CG1-CG2 3.68Å; T157-L159 PolarHBondContact O-N 3.32Å; T157-L159 PolarHBondContact OG1-N 3.15Å; T157-H160 PolarHBondContact N-ND1 2.82Å; T157-H160 VanDerWaalsContact N-ND1 3.17Å; T157-H160 WeakPolarHBondContact O-CB 3.25Å; T157-H160 PolarHBondContact O-N 3.07Å; T157-H160 PolarHBondContact OG1-N 2.77Å; T157-H160 PolarHBondContact OG1-ND1 2.95Å; T157-V161 PolarHBondContact O-N 3.04Å; T157-V161 VanDerWaalsContact O-N 3.11Å; T157-A183 HydrophobicContact CG2-CB 3.69Å | ||
| 158 | P | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -54.8 | -25.9 | 173.7 | -27.3 | 36.3 | 0 | 0 | 0 | 113.7 | L126 H127 V148 Q150 A162 L174 | L126-P158 HydrophobicContact CB-CG 4.45Å; L126-P158 HydrophobicContact CD2-CB 4.22Å; L126-P158 HydrophobicContact CD2-CG 3.69Å; L126-P158 HydrophobicContact CG-CB 4.01Å; L126-P158 HydrophobicContact CG-CG 3.76Å; H127-P158 WeakPolarHBondContact NE2-CD 3.41Å; V148-P158 WeakPolarHBondContact O-CD 3.33Å; Q150-P158 WeakPolarHBondContact O-CD 3.5Å; P158-A162 WeakPolarHBondContact O-CB 3.37Å; P158-A162 PolarHBondContact O-N 2.96Å; P158-L174 HydrophobicContact CB-CD1 4.13Å; P158-L174 HydrophobicContact CB-CD2 4.01Å; P158-L174 WeakPolarHBondContact O-CD1 3.32Å |
| 159 | L | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -75.5 | -39.2 | 175.6 | -171.5 | 63.3 | 0 | 0 | 0 | 112.8 | T157 V161 A162 A163 A171 L174 L175 A179 L181 P191 L204 | T157-L159 PolarHBondContact O-N 3.32Å; T157-L159 PolarHBondContact OG1-N 3.15Å; L159-V161 VanDerWaalsContact C-N 3.32Å; L159-A162 PolarHBondContact O-N 2.96Å; L159-A163 WeakPolarHBondContact O-CB 3.39Å; L159-A163 PolarHBondContact O-N 2.93Å; L159-A171 HydrophobicContact CD1-CB 3.94Å; L159-L174 HydrophobicContact CB-CD1 4.48Å; L159-L174 HydrophobicContact CD1-CB 4.18Å; L159-L174 HydrophobicContact CD1-CD1 4.33Å; L159-L175 HydrophobicContact CD1-CG 4.18Å; L159-L175 HydrophobicContact CD2-CD2 3.8Å; L159-L175 HydrophobicContact CD2-CG 4.28Å; L159-A179 HydrophobicContact CB-CB 4.19Å; L159-A179 HydrophobicContact CD2-CB 3.85Å; L159-A179 HydrophobicContact CG-CB 4.42Å; L159-L181 HydrophobicContact CD2-CD2 4.32Å; L159-P191 HydrophobicContact CB-CB 4.48Å; L159-P191 HydrophobicContact CB-CG 4.18Å; L159-P191 HydrophobicContact CD2-CB 4.17Å; L159-P191 HydrophobicContact CD2-CG 3.98Å; L159-P191 HydrophobicContact CG-CB 3.85Å; L159-P191 HydrophobicContact CG-CG 3.92Å; L159-L204 HydrophobicContact CD1-CD2 4.23Å; L159-L204 HydrophobicContact CD2-CD2 4.3Å; L159-L204 HydrophobicContact CG-CD2 4.4Å |
| 160 | H | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.8 | -46.9 | 170.6 | -69 | 94.7 | 0 | 0 | 0 | 110.5 | W156 T157 A162 A163 S164 A183 D189 P191 | W156-H160 HydrophobicContact CB-CB 4.29Å; W156-H160 HydrophobicContact CD2-CB 4.09Å; W156-H160 HydrophobicContact CE3-CB 3.56Å; W156-H160 HydrophobicContact CG-CB 4.42Å; W156-H160 HydrophobicContact CZ3-CB 4.25Å; T157-H160 PolarHBondContact N-ND1 2.82Å; T157-H160 VanDerWaalsContact N-ND1 3.17Å; T157-H160 WeakPolarHBondContact O-CB 3.25Å; T157-H160 PolarHBondContact O-N 3.07Å; T157-H160 PolarHBondContact OG1-N 2.77Å; T157-H160 PolarHBondContact OG1-ND1 2.95Å; H160-A162 PolarHBondContact O-N 3.35Å; H160-A163 PolarHBondContact O-N 3.37Å; H160-S164 VanDerWaalsContact O-CB 3.28Å; H160-S164 WeakPolarHBondContact O-CB 3.34Å; H160-S164 PolarHBondContact O-N 2.88Å; H160-A183 PolarHBondContact CE1-O 2.97Å; H160-A183 PolarHBondContact NE2-O 3.48Å; H160-D189 PolarHBondContact NE2-O 3.2Å; H160-P191 WeakPolarHBondContact NE2-CD 3.3Å |
| 161 | V | 95.8 | Very high | 94.8 | Very high | 12 Ų | 12 | 32.4 Ų | 32.4 | 7% | 0.073 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.7 | -47.4 | 177.1 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | C130 I131 W156 T157 L159 A163 S164 C165 | C130-V161 HydrophobicContact CB-CB 4.18Å; C130-V161 HydrophobicContact CB-CG1 3.62Å; I131-V161 HydrophobicContact CB-CG1 4.45Å; I131-V161 HydrophobicContact CG1-CG1 3.52Å; W156-V161 HydrophobicContact CE3-CG2 4.18Å; T157-V161 PolarHBondContact O-N 3.04Å; T157-V161 VanDerWaalsContact O-N 3.11Å; L159-V161 VanDerWaalsContact C-N 3.32Å; V161-A163 VanDerWaalsContact C-N 3.32Å; V161-A163 PolarHBondContact O-N 3.17Å; V161-S164 PolarHBondContact O-N 3.24Å; V161-C165 VanDerWaalsContact O-CB 3.3Å; V161-C165 WeakPolarHBondContact O-CB 3.42Å; V161-C165 PolarHBondContact O-N 2.96Å; V161-C165 PolarHBondContact O-SG 3.29Å |
| 162 | A | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.6 | -33.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | P158 L159 H160 G166 Y167 I170 A171 L174 | P158-A162 WeakPolarHBondContact O-CB 3.37Å; P158-A162 PolarHBondContact O-N 2.96Å; L159-A162 PolarHBondContact O-N 2.96Å; H160-A162 PolarHBondContact O-N 3.35Å; A162-G166 PolarHBondContact O-N 3Å; A162-Y167 PolarHBondContact O-N 3.17Å; A162-I170 HydrophobicContact CB-CB 4.35Å; A162-I170 HydrophobicContact CB-CG2 3.89Å; A162-A171 HydrophobicContact CB-CB 4.26Å; A162-L174 HydrophobicContact CB-CD1 3.89Å |
| 163 | A | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71 | -48.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L159 H160 V161 C165 G166 P191 I194 L196 L204 | L159-A163 WeakPolarHBondContact O-CB 3.39Å; L159-A163 PolarHBondContact O-N 2.93Å; H160-A163 PolarHBondContact O-N 3.37Å; V161-A163 VanDerWaalsContact C-N 3.32Å; V161-A163 PolarHBondContact O-N 3.17Å; A163-C165 PolarHBondContact O-N 3.1Å; A163-G166 PolarHBondContact O-N 3.18Å; A163-G166 VanDerWaalsContact O-N 3.08Å; A163-P191 HydrophobicContact CB-CB 4.33Å; A163-P191 WeakPolarHBondContact CB-O 3.21Å; A163-I194 CarbonylContact C-O 3.48Å; A163-L196 PolarHBondContact O-N 3.02Å; A163-L204 HydrophobicContact CB-CD1 3.81Å |
| 164 | S | 96.3 | Very high | 95.3 | Very high | 42 Ų | 42 | 30.8 Ų | 30.8 | 29% | 0.294 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -62.8 | -27.9 | 177.5 | -177.9 | 0 | 0 | 0 | 0 | 113.4 | H160 V161 I194 L196 | H160-S164 VanDerWaalsContact O-CB 3.28Å; H160-S164 WeakPolarHBondContact O-CB 3.34Å; H160-S164 PolarHBondContact O-N 2.88Å; V161-S164 PolarHBondContact O-N 3.24Å; S164-I194 VanDerWaalsContact CA-O 3.25Å; S164-I194 WeakPolarHBondContact CA-O 3.29Å; S164-I194 PolarHBondContact N-O 2.87Å; S164-L196 WeakPolarHBondContact O-CB 3.49Å; S164-L196 WeakPolarHBondContact O-CD2 3.28Å |
| 165 | C | 94.3 | Very high | 95.5 | Very high | 38 Ų | 38 | 25.9 Ų | 25.9 | 26% | 0.257 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -3.1 | 175.9 | -65.1 | 0 | 0 | 0 | 0 | 114.5 | V161 A163 Y167 | V161-C165 VanDerWaalsContact O-CB 3.3Å; V161-C165 WeakPolarHBondContact O-CB 3.42Å; V161-C165 PolarHBondContact O-N 2.96Å; V161-C165 PolarHBondContact O-SG 3.29Å; A163-C165 PolarHBondContact O-N 3.1Å; C165-Y167 HydrophobicContact CB-CD2 3.52Å; C165-Y167 HydrophobicContact CB-CE2 3.49Å; C165-Y167 VanDerWaalsContact CB-CE2 3.49Å; C165-Y167 HydrophobicContact CB-CG 4.26Å |
| 166 | G | 93.7 | Very high | 95.6 | Very high | 10 Ų | 10 | 31 Ų | 31 | 10% | 0.103 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 37.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | A162 A163 P168 | A162-G166 PolarHBondContact O-N 3Å; A163-G166 PolarHBondContact O-N 3.18Å; A163-G166 VanDerWaalsContact O-N 3.08Å; G166-P168 WeakPolarHBondContact O-CD 3.49Å |
| 167 | Y | 94.9 | Very high | 95.6 | Very high | 89 Ų | 89 | 32.7 Ų | 32.7 | 35% | 0.349 | 17% | 0.167 | S | C | . | . | trans | -109.7 | 80.1 | -177 | -62.8 | -35.4 | 0 | 0 | 0 | 112.7 | C130 A162 C165 D169 I170 A171 | C130-Y167 VanDerWaalsContact O-CD2 3.28Å; C130-Y167 WeakPolarHBondContact O-CD2 3.3Å; C130-Y167 VanDerWaalsContact O-CE2 3.29Å; C130-Y167 WeakPolarHBondContact O-CE2 3.29Å; A162-Y167 PolarHBondContact O-N 3.17Å; C165-Y167 HydrophobicContact CB-CD2 3.52Å; C165-Y167 HydrophobicContact CB-CE2 3.49Å; C165-Y167 VanDerWaalsContact CB-CE2 3.49Å; C165-Y167 HydrophobicContact CB-CG 4.26Å; Y167-D169 VanDerWaalsContact C-N 3.33Å; Y167-D169 PolarHBondContact O-N 3.05Å; Y167-I170 HydrophobicContact CD2-CD1 4.03Å; Y167-I170 HydrophobicContact CG-CD1 4.18Å; Y167-I170 PolarHBondContact O-N 2.96Å; Y167-I170 VanDerWaalsContact O-N 3.16Å; Y167-A171 PolarHBondContact O-N 3.11Å | ||
| 168 | P | 94.9 | Very high | 95.4 | Very high | 34 Ų | 34 | 34.9 Ų | 34.9 | 22% | 0.221 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.1 | -35.8 | -175.8 | 26.1 | -34.6 | 0 | 0 | 0 | 113 | G166 I170 A171 E172 T200 L203 | G166-P168 WeakPolarHBondContact O-CD 3.49Å; P168-I170 VanDerWaalsContact C-N 3.29Å; P168-I170 PolarHBondContact O-N 3.49Å; P168-A171 PolarHBondContact O-N 2.99Å; P168-E172 WeakPolarHBondContact O-CB 3.19Å; P168-E172 PolarHBondContact O-N 3.01Å; P168-T200 HydrophobicContact CB-CG2 3.94Å; P168-T200 HydrophobicContact CG-CG2 4.45Å; P168-L203 HydrophobicContact CB-CD1 4.49Å |
| 169 | D | 95.8 | Very high | 95.3 | Very high | 130 Ų | 130 | 35.1 Ų | 35.1 | 70% | 0.695 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -63 | -36.4 | 177.7 | -58.5 | -18.6 | 0 | 0 | 0 | 111.9 | Y167 F173 | Y167-D169 VanDerWaalsContact C-N 3.33Å; Y167-D169 PolarHBondContact O-N 3.05Å; D169-F173 WeakPolarHBondContact O-CB 3.37Å; D169-F173 PolarHBondContact O-N 2.98Å |
| 170 | I | 96.4 | Very high | 95.1 | Very high | 6 Ų | 6 | 36.9 Ų | 36.9 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -76.8 | -43.8 | 177.3 | -62.8 | 179.6 | 0 | 0 | 0 | 110.1 | I135 V138 A162 Y167 P168 E172 F173 L174 | I135-I170 HydrophobicContact CB-CG1 4.32Å; I135-I170 HydrophobicContact CD1-CG1 4.03Å; V138-I170 HydrophobicContact CG1-CG2 4.37Å; V138-I170 HydrophobicContact CG2-CG2 4.21Å; A162-I170 HydrophobicContact CB-CB 4.35Å; A162-I170 HydrophobicContact CB-CG2 3.89Å; Y167-I170 HydrophobicContact CD2-CD1 4.03Å; Y167-I170 HydrophobicContact CG-CD1 4.18Å; Y167-I170 PolarHBondContact O-N 2.96Å; Y167-I170 VanDerWaalsContact O-N 3.16Å; P168-I170 VanDerWaalsContact C-N 3.29Å; P168-I170 PolarHBondContact O-N 3.49Å; I170-E172 VanDerWaalsContact C-N 3.35Å; I170-E172 PolarHBondContact O-N 3.38Å; I170-F173 PolarHBondContact O-N 3.43Å; I170-L174 HydrophobicContact CG2-CD1 3.93Å; I170-L174 HydrophobicContact CG2-CG 4.41Å; I170-L174 WeakPolarHBondContact O-CB 3.47Å; I170-L174 VanDerWaalsContact O-CG 3.31Å; I170-L174 WeakPolarHBondContact O-CG 3.48Å; I170-L174 PolarHBondContact O-N 3.44Å |
| 171 | A | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.2 | -42.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L159 A162 Y167 P168 L174 L175 | L159-A171 HydrophobicContact CD1-CB 3.94Å; A162-A171 HydrophobicContact CB-CB 4.26Å; Y167-A171 PolarHBondContact O-N 3.11Å; P168-A171 PolarHBondContact O-N 2.99Å; A171-L174 PolarHBondContact O-N 3.41Å; A171-L175 WeakPolarHBondContact O-CB 3.33Å; A171-L175 WeakPolarHBondContact O-CD1 3.45Å; A171-L175 VanDerWaalsContact O-CG 3.27Å; A171-L175 WeakPolarHBondContact O-CG 3.39Å; A171-L175 PolarHBondContact O-N 3.47Å |
| 172 | E | 95.4 | Very high | 94.7 | Very high | 70 Ų | 70 | 39.6 Ų | 39.6 | 33% | 0.327 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.7 | -44.7 | 175.9 | -157 | -173.4 | -176.4 | 0 | 0 | 111.7 | P168 I170 L174 L175 Q176 L203 Y207 | P168-E172 WeakPolarHBondContact O-CB 3.19Å; P168-E172 PolarHBondContact O-N 3.01Å; I170-E172 VanDerWaalsContact C-N 3.35Å; I170-E172 PolarHBondContact O-N 3.38Å; E172-L174 VanDerWaalsContact C-N 3.33Å; E172-L174 PolarHBondContact O-N 3.29Å; E172-L175 PolarHBondContact O-N 3.21Å; E172-Q176 WeakPolarHBondContact O-CG 3.4Å; E172-Q176 PolarHBondContact O-N 3.21Å; E172-Q176 PolarHBondContact OE1-NE2 2.93Å; E172-L203 HydrophobicContact CB-CD1 3.96Å; E172-L203 HydrophobicContact CB-CD2 4.46Å; E172-L203 HydrophobicContact CG-CD1 4.18Å; E172-Y207 HydrophobicContact CG-CE2 3.93Å; E172-Y207 WeakPolarHBondContact CG-OH 3.5Å; E172-Y207 PolarHBondContact OE1-OH 2.95Å |
| 173 | F | 96.3 | Very high | 94.6 | Very high | 41 Ų | 41 | 40.4 Ų | 40.4 | 18% | 0.18 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.9 | -39.8 | 178.4 | -173.3 | -101.6 | 0 | 0 | 0 | 112.3 | I135 V138 T139 L142 D169 I170 Q176 K177 | I135-F173 HydrophobicContact CD1-CB 4.1Å; I135-F173 HydrophobicContact CD1-CD1 4.32Å; I135-F173 HydrophobicContact CD1-CG 4.22Å; V138-F173 HydrophobicContact CG1-CD1 4Å; V138-F173 HydrophobicContact CG1-CE1 4.38Å; T139-F173 HydrophobicContact CG2-CD1 4.33Å; T139-F173 HydrophobicContact CG2-CE1 3.75Å; T139-F173 HydrophobicContact CG2-CE2 4Å; T139-F173 HydrophobicContact CG2-CZ 3.55Å; L142-F173 HydrophobicContact CB-CE1 4.35Å; L142-F173 HydrophobicContact CD1-CD1 4.18Å; L142-F173 HydrophobicContact CD1-CE1 3.97Å; D169-F173 WeakPolarHBondContact O-CB 3.37Å; D169-F173 PolarHBondContact O-N 2.98Å; I170-F173 PolarHBondContact O-N 3.43Å; F173-Q176 PolarHBondContact O-N 2.91Å; F173-K177 HydrophobicContact CD1-CG 4.32Å; F173-K177 HydrophobicContact CE1-CG 4.02Å; F173-K177 HydrophobicContact CZ-CD 4.39Å; F173-K177 HydrophobicContact CZ-CG 4.22Å; F173-K177 WeakPolarHBondContact O-CB 3.31Å; F173-K177 VanDerWaalsContact O-CG 3.25Å; F173-K177 WeakPolarHBondContact O-CG 3.42Å; F173-K177 PolarHBondContact O-N 3.3Å |
| 174 | L | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.4 | -46.1 | 172.7 | -76.5 | 167.7 | 0 | 0 | 0 | 111.7 | L142 V148 P158 L159 A162 I170 A171 E172 K177 G178 A179 | L142-L174 HydrophobicContact CD1-CD2 3.81Å; V148-L174 HydrophobicContact CG1-CD2 4.04Å; P158-L174 HydrophobicContact CB-CD1 4.13Å; P158-L174 HydrophobicContact CB-CD2 4.01Å; P158-L174 WeakPolarHBondContact O-CD1 3.32Å; L159-L174 HydrophobicContact CB-CD1 4.48Å; L159-L174 HydrophobicContact CD1-CB 4.18Å; L159-L174 HydrophobicContact CD1-CD1 4.33Å; A162-L174 HydrophobicContact CB-CD1 3.89Å; I170-L174 HydrophobicContact CG2-CD1 3.93Å; I170-L174 HydrophobicContact CG2-CG 4.41Å; I170-L174 WeakPolarHBondContact O-CB 3.47Å; I170-L174 VanDerWaalsContact O-CG 3.31Å; I170-L174 WeakPolarHBondContact O-CG 3.48Å; I170-L174 PolarHBondContact O-N 3.44Å; A171-L174 PolarHBondContact O-N 3.41Å; E172-L174 VanDerWaalsContact C-N 3.33Å; E172-L174 PolarHBondContact O-N 3.29Å; L174-K177 CarbonylContact O-C 3.57Å; L174-K177 WeakPolarHBondContact O-CA 3.49Å; L174-K177 PolarHBondContact O-N 3.23Å; L174-K177 VanDerWaalsContact O-N 3.1Å; L174-G178 PolarHBondContact O-N 2.96Å; L174-A179 VanDerWaalsContact C-CB 3.49Å; L174-A179 HydrophobicContact CB-CB 3.94Å; L174-A179 VanDerWaalsContact O-CB 3.24Å; L174-A179 WeakPolarHBondContact O-CB 3.24Å; L174-A179 PolarHBondContact O-N 2.87Å |
| 175 | L | 94.8 | Very high | 94.2 | Very high | 9 Ų | 9 | 40.4 Ų | 40.4 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.4 | -41.9 | 176.9 | -72.3 | 164.1 | 0 | 0 | 0 | 112.4 | L159 A171 E172 K177 G178 A179 L181 L203 L204 Y207 | L159-L175 HydrophobicContact CD1-CG 4.18Å; L159-L175 HydrophobicContact CD2-CD2 3.8Å; L159-L175 HydrophobicContact CD2-CG 4.28Å; A171-L175 WeakPolarHBondContact O-CB 3.33Å; A171-L175 WeakPolarHBondContact O-CD1 3.45Å; A171-L175 VanDerWaalsContact O-CG 3.27Å; A171-L175 WeakPolarHBondContact O-CG 3.39Å; A171-L175 PolarHBondContact O-N 3.47Å; E172-L175 PolarHBondContact O-N 3.21Å; L175-K177 PolarHBondContact O-N 3.38Å; L175-G178 PolarHBondContact O-N 3.41Å; L175-A179 HydrophobicContact CD2-CB 4.46Å; L175-L181 HydrophobicContact CD2-CD1 4.24Å; L175-L181 HydrophobicContact CD2-CD2 3.65Å; L175-L181 HydrophobicContact CD2-CG 3.75Å; L175-L203 HydrophobicContact CD1-CD2 3.63Å; L175-L204 HydrophobicContact CD1-CD2 4.11Å; L175-Y207 HydrophobicContact CB-CD1 4.1Å; L175-Y207 HydrophobicContact CB-CE1 4Å; L175-Y207 HydrophobicContact CD1-CD1 4.12Å; L175-Y207 HydrophobicContact CD1-CD2 3.99Å; L175-Y207 HydrophobicContact CD1-CE2 4.41Å; L175-Y207 HydrophobicContact CD1-CG 3.83Å |
| 176 | Q | 94.2 | Very high | 93.9 | Very high | 124 Ų | 124 | 41.8 Ų | 41.8 | 58% | 0.579 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -62.6 | -26.5 | 173.4 | -70.5 | 176.5 | 21.1 | 0 | 0 | 112.7 | E172 F173 | E172-Q176 WeakPolarHBondContact O-CG 3.4Å; E172-Q176 PolarHBondContact O-N 3.21Å; E172-Q176 PolarHBondContact OE1-NE2 2.93Å; F173-Q176 PolarHBondContact O-N 2.91Å |
| 177 | K | 94.7 | Very high | 93.5 | Very high | 80 Ų | 80 | 45.8 Ų | 45.8 | 35% | 0.348 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -0.1 | 174 | -68.1 | -78.3 | -172.4 | 161.3 | 0 | 113.8 | L142 V148 F173 L174 L175 | L142-K177 HydrophobicContact CB-CD 4.37Å; L142-K177 HydrophobicContact CD1-CB 4.29Å; L142-K177 HydrophobicContact CD1-CG 4.09Å; L142-K177 PolarHBondContact O-NZ 2.99Å; V148-K177 HydrophobicContact CG1-CB 4.5Å; V148-K177 HydrophobicContact CG2-CB 4.02Å; F173-K177 HydrophobicContact CD1-CG 4.32Å; F173-K177 HydrophobicContact CE1-CG 4.02Å; F173-K177 HydrophobicContact CZ-CD 4.39Å; F173-K177 HydrophobicContact CZ-CG 4.22Å; F173-K177 WeakPolarHBondContact O-CB 3.31Å; F173-K177 VanDerWaalsContact O-CG 3.25Å; F173-K177 WeakPolarHBondContact O-CG 3.42Å; F173-K177 PolarHBondContact O-N 3.3Å; L174-K177 CarbonylContact O-C 3.57Å; L174-K177 WeakPolarHBondContact O-CA 3.49Å; L174-K177 PolarHBondContact O-N 3.23Å; L174-K177 VanDerWaalsContact O-N 3.1Å; L175-K177 PolarHBondContact O-N 3.38Å |
| 178 | G | 92.1 | Very high | 93.2 | Very high | 47 Ų | 47 | 42.5 Ų | 42.5 | 49% | 0.485 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94 | 30.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | N149 L174 L175 | N149-G178 PolarHBondContact ND2-O 3.33Å; L174-G178 PolarHBondContact O-N 2.96Å; L175-G178 PolarHBondContact O-N 3.41Å |
| 179 | A | 94.6 | Very high | 93 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 4% | 0.041 | 25% | 0.253 | C | S | . | . | trans | -62.4 | 141.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112 | V148 N149 L159 L174 L175 | V148-A179 HydrophobicContact CG1-CB 3.63Å; N149-A179 WeakPolarHBondContact OD1-CA 3.28Å; L159-A179 HydrophobicContact CB-CB 4.19Å; L159-A179 HydrophobicContact CD2-CB 3.85Å; L159-A179 HydrophobicContact CG-CB 4.42Å; L174-A179 VanDerWaalsContact C-CB 3.49Å; L174-A179 HydrophobicContact CB-CB 3.94Å; L174-A179 VanDerWaalsContact O-CB 3.24Å; L174-A179 WeakPolarHBondContact O-CB 3.24Å; L174-A179 PolarHBondContact O-N 2.87Å; L175-A179 HydrophobicContact CD2-CB 4.46Å | ||
| 180 | S | 92.6 | Very high | 92.9 | Very high | 37 Ų | 37 | 37.8 Ų | 37.8 | 26% | 0.259 | 22% | 0.22 | S | C | . | . | trans | -83.6 | 119.3 | -177.9 | -176.2 | 0 | 0 | 0 | 0 | 111.3 | N149 T182 A183 | N149-S180 WeakPolarHBondContact OD1-CB 3.47Å; N149-S180 PolarHBondContact OD1-N 3.46Å; S180-T182 PolarHBondContact O-N 3.41Å; S180-T182 PolarHBondContact OG-N 2.93Å; S180-T182 PolarHBondContact OG-OG1 3.34Å; S180-A183 PolarHBondContact OG-N 3.34Å | ||
| 181 | L | 91.4 | Very high | 92.8 | Very high | 7 Ų | 7 | 37.5 Ų | 37.5 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -14.8 | 168.9 | -68.4 | 163.5 | 0 | 0 | 0 | 112.7 | L159 L175 L204 | L159-L181 HydrophobicContact CD2-CD2 4.32Å; L175-L181 HydrophobicContact CD2-CD1 4.24Å; L175-L181 HydrophobicContact CD2-CD2 3.65Å; L175-L181 HydrophobicContact CD2-CG 3.75Å; L181-L204 HydrophobicContact CD2-CD2 3.81Å |
| 182 | T | 92.5 | Very high | 92.7 | Very high | 62 Ų | 62 | 39.4 Ų | 39.4 | 38% | 0.38 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 19.8 | 179 | 70.4 | 0 | 0 | 0 | 0 | 112.7 | S180 V213 A218 | S180-T182 PolarHBondContact O-N 3.41Å; S180-T182 PolarHBondContact OG-N 2.93Å; S180-T182 PolarHBondContact OG-OG1 3.34Å; T182-V213 HydrophobicContact CG2-CG1 3.16Å; T182-A218 HydrophobicContact CG2-CB 4.12Å |
| 183 | A | 92.6 | Very high | 92.6 | Very high | 17 Ų | 17 | 39.4 Ų | 39.4 | 14% | 0.14 | 23% | 0.231 | C | C | . | . | trans | -70.7 | 130.4 | 163 | 0 | 0 | 0 | 0 | 0 | 107.2 | T157 H160 S180 V190 | T157-A183 HydrophobicContact CG2-CB 3.69Å; H160-A183 PolarHBondContact CE1-O 2.97Å; H160-A183 PolarHBondContact NE2-O 3.48Å; S180-A183 PolarHBondContact OG-N 3.34Å; A183-V190 WeakPolarHBondContact O-CG1 3.41Å | ||
| 184 | V | 92.4 | Very high | 92.5 | Very high | 39 Ų | 39 | 39 Ų | 39 | 24% | 0.236 | 23% | 0.23 | C | C | . | . | trans | -114.7 | 133.3 | 177.1 | -174.7 | 0 | 0 | 0 | 0 | 106.7 | D189 V190 A218 | V184-D189 WeakPolarHBondContact CA-O 3.11Å; V184-V190 HydrophobicContact CG2-CG1 3.87Å; V184-A218 HydrophobicContact CG2-CB 4.1Å | ||
| 185 | N | 92.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | trans | -82 | -173.6 | 178.4 | 80.8 | -15 | 0 | 0 | 0 | 112.1 | W156 D187 G188 D189 | W156-N185 HydrophobicContact CG-CB 4.39Å; W156-N185 PolarHBondContact NE1-ND2 3.16Å; N185-D187 VanDerWaalsContact C-N 3.3Å; N185-D187 PolarHBondContact ND2-OD2 2.82Å; N185-D187 PolarHBondContact O-N 3.29Å; N185-D187 WeakPolarHBondContact OD1-CA 3.3Å; N185-D187 WeakPolarHBondContact OD1-CB 3.46Å; N185-D187 PolarHBondContact OD1-N 3.02Å; N185-G188 PolarHBondContact O-N 3.34Å; N185-G188 PolarHBondContact OD1-N 2.98Å; N185-D189 PolarHBondContact N-O 3.18Å; N185-D189 PolarHBondContact OD1-N 3.36Å; N185-D189 PolarHBondContact OD1-O 3.37Å | ||
| 186 | C | 87.4 | Confident | 92.3 | Very high | 67 Ų | 67 | 45.1 Ų | 45.1 | 45% | 0.453 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -63.5 | -31 | 176.3 | -83.8 | 0 | 0 | 0 | 0 | 113.9 | E154 K258 | E154-C186 VanDerWaalsContact C-SG 3.51Å; E154-C186 VanDerWaalsContact O-CB 3.27Å; E154-C186 WeakPolarHBondContact O-CB 3.32Å; E154-C186 PolarHBondContact O-N 2.82Å; E154-C186 PolarHBondContact O-SG 3.39Å; E154-C186 VanDerWaalsContact O-SG 3.39Å; C186-K258 WeakPolarHBondContact O-CE 3.36Å; C186-K258 PolarHBondContact O-NZ 3.35Å; C186-K258 VanDerWaalsContact O-NZ 3.1Å |
| 187 | D | 85.7 | Confident | 92.2 | Very high | 94 Ų | 94 | 42.9 Ų | 42.9 | 50% | 0.503 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -76.9 | -23.1 | -179 | -50.5 | -64.1 | 0 | 0 | 0 | 113.2 | N185 | N185-D187 VanDerWaalsContact C-N 3.3Å; N185-D187 PolarHBondContact ND2-OD2 2.82Å; N185-D187 PolarHBondContact O-N 3.29Å; N185-D187 WeakPolarHBondContact OD1-CA 3.3Å; N185-D187 WeakPolarHBondContact OD1-CB 3.46Å; N185-D187 PolarHBondContact OD1-N 3.02Å |
| 188 | G | 88.1 | Confident | 92.1 | Very high | 20 Ų | 20 | 46.6 Ų | 46.6 | 21% | 0.206 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 106.5 | 2.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | N185 K219 | N185-G188 PolarHBondContact O-N 3.34Å; N185-G188 PolarHBondContact OD1-N 2.98Å; G188-K219 WeakPolarHBondContact O-CG 3.48Å |
| 189 | D | 91.6 | Very high | 92.3 | Very high | 63 Ų | 63 | 48.4 Ų | 48.4 | 34% | 0.337 | 28% | 0.278 | S | S | . | . | trans | -84.1 | 152.5 | 177.9 | -72.4 | -36.4 | 0 | 0 | 0 | 111.9 | H160 V184 N185 D193 I194 | H160-D189 PolarHBondContact NE2-O 3.2Å; V184-D189 WeakPolarHBondContact CA-O 3.11Å; N185-D189 PolarHBondContact N-O 3.18Å; N185-D189 PolarHBondContact OD1-N 3.36Å; N185-D189 PolarHBondContact OD1-O 3.37Å; D189-D193 HydrophobicContact CB-CB 4.08Å; D189-I194 HydrophobicContact CB-CD1 3.86Å; D189-I194 HydrophobicContact CB-CG1 3.72Å | ||
| 190 | V | 93.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | trans | -107.6 | 170.8 | 165.2 | -53.6 | 0 | 0 | 0 | 0 | 110.2 | A183 V184 L192 D193 V215 K219 | A183-V190 WeakPolarHBondContact O-CG1 3.41Å; V184-V190 HydrophobicContact CG2-CG1 3.87Å; V190-L192 HydrophobicContact CG2-CB 4.01Å; V190-L192 PolarHBondContact O-N 3.5Å; V190-D193 WeakPolarHBondContact CG2-OD2 3.47Å; V190-D193 PolarHBondContact N-OD2 2.83Å; V190-D193 PolarHBondContact O-N 3.39Å; V190-V215 HydrophobicContact CB-CG1 4.34Å; V190-V215 HydrophobicContact CG1-CG1 4.02Å; V190-V215 HydrophobicContact CG2-CG1 3.38Å; V190-V215 HydrophobicContact CG2-CG2 4.41Å; V190-K219 HydrophobicContact CG1-CG 4.27Å | ||
| 191 | P | 94.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -21.3 | -177.6 | -25.9 | 35.3 | 0 | 0 | 0 | 115.2 | L159 H160 A163 L204 | L159-P191 HydrophobicContact CB-CB 4.48Å; L159-P191 HydrophobicContact CB-CG 4.18Å; L159-P191 HydrophobicContact CD2-CB 4.17Å; L159-P191 HydrophobicContact CD2-CG 3.98Å; L159-P191 HydrophobicContact CG-CB 3.85Å; L159-P191 HydrophobicContact CG-CG 3.92Å; H160-P191 WeakPolarHBondContact NE2-CD 3.3Å; A163-P191 HydrophobicContact CB-CB 4.33Å; A163-P191 WeakPolarHBondContact CB-O 3.21Å; P191-L204 HydrophobicContact CB-CD2 4.48Å; P191-L204 WeakPolarHBondContact O-CD1 3.45Å |
| 192 | L | 93.9 | Very high | 92.5 | Very high | 39 Ų | 39 | 54 Ų | 54 | 20% | 0.204 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -36.6 | 175.2 | 179.8 | 61.6 | 0 | 0 | 0 | 112.7 | V190 A195 E201 L204 H205 | V190-L192 HydrophobicContact CG2-CB 4.01Å; V190-L192 PolarHBondContact O-N 3.5Å; L192-A195 WeakPolarHBondContact O-CB 3.43Å; L192-E201 HydrophobicContact CD1-CG 4.08Å; L192-L204 HydrophobicContact CB-CB 4.42Å; L192-L204 HydrophobicContact CD1-CB 3.74Å; L192-H205 HydrophobicContact CD1-CB 4.26Å |
| 193 | D | 92.9 | Very high | 92.7 | Very high | 71 Ų | 71 | 52.7 Ų | 52.7 | 38% | 0.38 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -33.6 | -177.6 | -52.8 | -68.4 | 0 | 0 | 0 | 111.5 | D189 V190 A195 K219 | D189-D193 HydrophobicContact CB-CB 4.08Å; V190-D193 WeakPolarHBondContact CG2-OD2 3.47Å; V190-D193 PolarHBondContact N-OD2 2.83Å; V190-D193 PolarHBondContact O-N 3.39Å; D193-A195 VanDerWaalsContact C-N 3.32Å; D193-A195 PolarHBondContact O-N 3.47Å; D193-K219 IonicContact OD1-NZ 2.69Å; D193-K219 PolarHBondContact OD1-NZ 3.31Å; D193-K219 WeakPolarHBondContact OD2-CE 3.46Å; D193-K219 IonicContact OD2-NZ 2.97Å; D193-K219 PolarHBondContact OD2-NZ 3Å |
| 194 | I | 93.7 | Very high | 92.7 | Very high | 33 Ų | 33 | 51.9 Ų | 51.9 | 17% | 0.169 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 15.4 | 179.9 | -27.8 | -177.5 | 0 | 0 | 0 | 112.6 | W156 A163 S164 D189 L196 | W156-I194 HydrophobicContact CH2-CD1 3.82Å; W156-I194 HydrophobicContact CH2-CG2 3.9Å; W156-I194 HydrophobicContact CZ2-CD1 3.88Å; W156-I194 HydrophobicContact CZ3-CD1 4.18Å; W156-I194 HydrophobicContact CZ3-CG2 4.43Å; A163-I194 CarbonylContact C-O 3.48Å; S164-I194 VanDerWaalsContact CA-O 3.25Å; S164-I194 WeakPolarHBondContact CA-O 3.29Å; S164-I194 PolarHBondContact N-O 2.87Å; D189-I194 HydrophobicContact CB-CD1 3.86Å; D189-I194 HydrophobicContact CB-CG1 3.72Å; I194-L196 PolarHBondContact O-N 2.99Å |
| 195 | A | 94.6 | Very high | 92.8 | Very high | 23 Ų | 23 | 54.7 Ų | 54.7 | 19% | 0.19 | 30% | 0.3 | C | S | . | . | trans | -70.3 | 118.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L192 D193 E201 L204 | L192-A195 WeakPolarHBondContact O-CB 3.43Å; D193-A195 VanDerWaalsContact C-N 3.32Å; D193-A195 PolarHBondContact O-N 3.47Å; A195-E201 HydrophobicContact CB-CB 3.95Å; A195-L204 HydrophobicContact CB-CD1 4.19Å | ||
| 196 | L | 92.4 | Very high | 92.9 | Very high | 114 Ų | 114 | 57.6 Ų | 57.6 | 60% | 0.597 | 32% | 0.315 | S | S | * | . | trans | -73.5 | -39.4 | -174.9 | -178.7 | 65.6 | 0 | 0 | 0 | 113.7 | A163 S164 I194 | A163-L196 PolarHBondContact O-N 3.02Å; S164-L196 WeakPolarHBondContact O-CB 3.49Å; S164-L196 WeakPolarHBondContact O-CD2 3.28Å; I194-L196 PolarHBondContact O-N 2.99Å | ||
| 197 | D | 92.1 | Very high | 93.1 | Very high | 77 Ų | 77 | 56 Ų | 56 | 41% | 0.412 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -113.2 | 144.3 | -176.6 | -76.3 | -42.3 | 0 | 0 | 0 | 111.6 | T199 T200 E201 | D197-T199 WeakPolarHBondContact CB-OG1 3.48Å; D197-T199 PolarHBondContact O-N 3.43Å; D197-T200 PolarHBondContact N-OG1 2.94Å; D197-T200 VanDerWaalsContact N-OG1 3.16Å; D197-T200 PolarHBondContact O-N 3.25Å; D197-T200 PolarHBondContact O-OG1 3.15Å; D197-E201 PolarHBondContact O-N 3.48Å |
| 198 | E | 93.9 | Very high | 93.5 | Very high | 158 Ų | 158 | 52.3 Ų | 52.3 | 74% | 0.738 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -52.6 | -27.5 | 172.6 | -175.6 | -177.3 | -173.6 | 0 | 0 | 112.1 | S202 | E198-S202 WeakPolarHBondContact O-CB 3.37Å; E198-S202 PolarHBondContact O-N 2.91Å; E198-S202 PolarHBondContact O-OG 3.03Å |
| 199 | T | 94.6 | Very high | 93.6 | Very high | 84 Ų | 84 | 58.1 Ų | 58.1 | 52% | 0.515 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -72.3 | -42.4 | 175.2 | 55.2 | 0 | 0 | 0 | 0 | 112.8 | D197 L203 | D197-T199 WeakPolarHBondContact CB-OG1 3.48Å; D197-T199 PolarHBondContact O-N 3.43Å; T199-L203 WeakPolarHBondContact O-CB 3.3Å; T199-L203 PolarHBondContact O-N 3.28Å; T199-L203 VanDerWaalsContact O-N 3.13Å |
| 200 | T | 93.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.2 | -44.1 | 172.6 | 37.3 | 0 | 0 | 0 | 0 | 111.5 | P168 D197 L203 L204 | P168-T200 HydrophobicContact CB-CG2 3.94Å; P168-T200 HydrophobicContact CG-CG2 4.45Å; D197-T200 PolarHBondContact N-OG1 2.94Å; D197-T200 VanDerWaalsContact N-OG1 3.16Å; D197-T200 PolarHBondContact O-N 3.25Å; D197-T200 PolarHBondContact O-OG1 3.15Å; T200-L203 PolarHBondContact O-N 3.23Å; T200-L204 WeakPolarHBondContact O-CB 3.39Å; T200-L204 WeakPolarHBondContact O-CD1 3.11Å; T200-L204 VanDerWaalsContact O-CG 3.29Å; T200-L204 WeakPolarHBondContact O-CG 3.49Å; T200-L204 PolarHBondContact O-N 2.83Å |
| 201 | E | 94.8 | Very high | 93.5 | Very high | 104 Ų | 104 | 68 Ų | 68 | 49% | 0.486 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.6 | -52.2 | 176.4 | -173 | -163.3 | 166 | 0 | 0 | 110.7 | L192 A195 D197 L203 L204 H205 | L192-E201 HydrophobicContact CD1-CG 4.08Å; A195-E201 HydrophobicContact CB-CB 3.95Å; D197-E201 PolarHBondContact O-N 3.48Å; E201-L203 VanDerWaalsContact C-N 3.29Å; E201-L203 PolarHBondContact O-N 2.71Å; E201-L204 PolarHBondContact O-N 3.02Å; E201-H205 VanDerWaalsContact O-CB 3.31Å; E201-H205 WeakPolarHBondContact O-CB 3.46Å; E201-H205 PolarHBondContact O-N 2.73Å |
| 202 | S | 95.4 | Very high | 93.1 | Very high | 64 Ų | 64 | 71.2 Ų | 71.2 | 45% | 0.448 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -56.4 | -42.8 | 177.2 | -66.9 | 0 | 0 | 0 | 0 | 112 | E198 D206 | E198-S202 WeakPolarHBondContact O-CB 3.37Å; E198-S202 PolarHBondContact O-N 2.91Å; E198-S202 PolarHBondContact O-OG 3.03Å; S202-D206 WeakPolarHBondContact O-CB 3.46Å; S202-D206 PolarHBondContact O-N 3.23Å |
| 203 | L | 95.5 | Very high | 92.8 | Very high | 33 Ų | 33 | 71.3 Ų | 71.3 | 17% | 0.173 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66 | -46.4 | 179.3 | -173.6 | 147.2 | 0 | 0 | 0 | 111.7 | P168 E172 L175 T199 T200 E201 D206 Y207 | P168-L203 HydrophobicContact CB-CD1 4.49Å; E172-L203 HydrophobicContact CB-CD1 3.96Å; E172-L203 HydrophobicContact CB-CD2 4.46Å; E172-L203 HydrophobicContact CG-CD1 4.18Å; L175-L203 HydrophobicContact CD1-CD2 3.63Å; T199-L203 WeakPolarHBondContact O-CB 3.3Å; T199-L203 PolarHBondContact O-N 3.28Å; T199-L203 VanDerWaalsContact O-N 3.13Å; T200-L203 PolarHBondContact O-N 3.23Å; E201-L203 VanDerWaalsContact C-N 3.29Å; E201-L203 PolarHBondContact O-N 2.71Å; L203-D206 PolarHBondContact O-N 2.86Å; L203-Y207 HydrophobicContact CD2-CD2 3.82Å; L203-Y207 HydrophobicContact CD2-CE2 4.04Å; L203-Y207 HydrophobicContact CG-CD2 4.1Å; L203-Y207 HydrophobicContact CG-CE2 4.2Å; L203-Y207 WeakPolarHBondContact O-CD2 3.46Å; L203-Y207 PolarHBondContact O-N 2.92Å |
| 204 | L | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 179 | -70.9 | 163.6 | 0 | 0 | 0 | 111.5 | L159 A163 L175 L181 P191 L192 A195 T200 E201 Y207 T208 | L159-L204 HydrophobicContact CD1-CD2 4.23Å; L159-L204 HydrophobicContact CD2-CD2 4.3Å; L159-L204 HydrophobicContact CG-CD2 4.4Å; A163-L204 HydrophobicContact CB-CD1 3.81Å; L175-L204 HydrophobicContact CD1-CD2 4.11Å; L181-L204 HydrophobicContact CD2-CD2 3.81Å; P191-L204 HydrophobicContact CB-CD2 4.48Å; P191-L204 WeakPolarHBondContact O-CD1 3.45Å; L192-L204 HydrophobicContact CB-CB 4.42Å; L192-L204 HydrophobicContact CD1-CB 3.74Å; A195-L204 HydrophobicContact CB-CD1 4.19Å; T200-L204 WeakPolarHBondContact O-CB 3.39Å; T200-L204 WeakPolarHBondContact O-CD1 3.11Å; T200-L204 VanDerWaalsContact O-CG 3.29Å; T200-L204 WeakPolarHBondContact O-CG 3.49Å; T200-L204 PolarHBondContact O-N 2.83Å; E201-L204 PolarHBondContact O-N 3.02Å; L204-Y207 PolarHBondContact O-N 3.2Å; L204-T208 VanDerWaalsContact O-CB 3.31Å; L204-T208 WeakPolarHBondContact O-CB 3.37Å; L204-T208 PolarHBondContact O-N 2.86Å; L204-T208 PolarHBondContact O-OG1 3.19Å |
| 205 | H | 93.8 | Very high | 92.2 | Very high | 99 Ų | 99 | 71.5 Ų | 71.5 | 46% | 0.458 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 173.5 | 179.6 | -81.2 | 0 | 0 | 0 | 111.6 | L192 E201 T208 Q209 | L192-H205 HydrophobicContact CD1-CB 4.26Å; E201-H205 VanDerWaalsContact O-CB 3.31Å; E201-H205 WeakPolarHBondContact O-CB 3.46Å; E201-H205 PolarHBondContact O-N 2.73Å; H205-T208 PolarHBondContact O-N 3.46Å; H205-Q209 WeakPolarHBondContact O-CB 3.2Å; H205-Q209 PolarHBondContact O-N 2.79Å |
| 206 | D | 93.6 | Very high | 91.9 | Very high | 64 Ų | 64 | 75.3 Ų | 75.3 | 34% | 0.342 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 176.9 | -124.3 | 60.7 | 0 | 0 | 0 | 111.7 | S202 L203 Q209 R210 | S202-D206 WeakPolarHBondContact O-CB 3.46Å; S202-D206 PolarHBondContact O-N 3.23Å; L203-D206 PolarHBondContact O-N 2.86Å; D206-Q209 PolarHBondContact O-N 2.77Å; D206-R210 VanDerWaalsContact O-CB 3.32Å; D206-R210 WeakPolarHBondContact O-CB 3.21Å; D206-R210 VanDerWaalsContact O-CD 3.26Å; D206-R210 WeakPolarHBondContact O-CD 3.46Å; D206-R210 WeakPolarHBondContact O-CG 3.26Å; D206-R210 PolarHBondContact O-N 3.32Å; D206-R210 IonicContact OD2-CZ 2.77Å; D206-R210 IonicContact OD2-NE 3.91Å; D206-R210 PolarHBondContact OD2-NE 3.49Å; D206-R210 IonicContact OD2-NH2 2.64Å; D206-R210 PolarHBondContact OD2-NH2 3.39Å |
| 207 | Y | 93.3 | Very high | 91.7 | Very high | 34 Ų | 34 | 71.4 Ų | 71.4 | 13% | 0.133 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.2 | -39.5 | 176.1 | -91.1 | -95.9 | 0 | 0 | 0 | 112.2 | E172 L175 L203 L204 R210 Q211 | E172-Y207 HydrophobicContact CG-CE2 3.93Å; E172-Y207 WeakPolarHBondContact CG-OH 3.5Å; E172-Y207 PolarHBondContact OE1-OH 2.95Å; L175-Y207 HydrophobicContact CB-CD1 4.1Å; L175-Y207 HydrophobicContact CB-CE1 4Å; L175-Y207 HydrophobicContact CD1-CD1 4.12Å; L175-Y207 HydrophobicContact CD1-CD2 3.99Å; L175-Y207 HydrophobicContact CD1-CE2 4.41Å; L175-Y207 HydrophobicContact CD1-CG 3.83Å; L203-Y207 HydrophobicContact CD2-CD2 3.82Å; L203-Y207 HydrophobicContact CD2-CE2 4.04Å; L203-Y207 HydrophobicContact CG-CD2 4.1Å; L203-Y207 HydrophobicContact CG-CE2 4.2Å; L203-Y207 WeakPolarHBondContact O-CD2 3.46Å; L203-Y207 PolarHBondContact O-N 2.92Å; L204-Y207 PolarHBondContact O-N 3.2Å; Y207-R210 PolarHBondContact O-N 2.9Å; Y207-Q211 WeakPolarHBondContact O-CB 3.34Å; Y207-Q211 WeakPolarHBondContact O-CG 3.49Å; Y207-Q211 PolarHBondContact O-N 3.15Å |
| 208 | T | 92.4 | Very high | 91.5 | Very high | 17 Ų | 17 | 68.4 Ų | 68.4 | 10% | 0.104 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.5 | -47.5 | 175.3 | -59 | 0 | 0 | 0 | 0 | 111.4 | L204 H205 Q211 G212 V213 V215 | L204-T208 VanDerWaalsContact O-CB 3.31Å; L204-T208 WeakPolarHBondContact O-CB 3.37Å; L204-T208 PolarHBondContact O-N 2.86Å; L204-T208 PolarHBondContact O-OG1 3.19Å; H205-T208 PolarHBondContact O-N 3.46Å; T208-Q211 PolarHBondContact O-N 2.76Å; T208-G212 PolarHBondContact O-N 2.84Å; T208-V213 HydrophobicContact CG2-CB 4.39Å; T208-V213 WeakPolarHBondContact CG2-O 3.27Å; T208-V213 PolarHBondContact O-N 3.22Å; T208-V215 HydrophobicContact CG2-CG2 3.79Å |
| 209 | Q | 91.5 | Very high | 91.2 | Very high | 142 Ų | 142 | 63 Ų | 63 | 66% | 0.664 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.9 | -38.4 | 177 | -174.7 | 173.9 | 91.7 | 0 | 0 | 112.4 | H205 D206 G212 | H205-Q209 WeakPolarHBondContact O-CB 3.2Å; H205-Q209 PolarHBondContact O-N 2.79Å; D206-Q209 PolarHBondContact O-N 2.77Å; Q209-G212 PolarHBondContact O-N 3.29Å |
| 210 | R | 92.3 | Very high | 91 | Very high | 167 Ų | 167 | 64.2 Ų | 64.2 | 63% | 0.63 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -67.6 | -36.5 | 177 | -71.4 | 163.1 | -169.3 | -165 | 4.9 | 113 | D206 Y207 | D206-R210 VanDerWaalsContact O-CB 3.32Å; D206-R210 WeakPolarHBondContact O-CB 3.21Å; D206-R210 VanDerWaalsContact O-CD 3.26Å; D206-R210 WeakPolarHBondContact O-CD 3.46Å; D206-R210 WeakPolarHBondContact O-CG 3.26Å; D206-R210 PolarHBondContact O-N 3.32Å; D206-R210 IonicContact OD2-CZ 2.77Å; D206-R210 IonicContact OD2-NE 3.91Å; D206-R210 PolarHBondContact OD2-NE 3.49Å; D206-R210 IonicContact OD2-NH2 2.64Å; D206-R210 PolarHBondContact OD2-NH2 3.39Å; Y207-R210 PolarHBondContact O-N 2.9Å |
| 211 | Q | 90.3 | Very high | 90.8 | Very high | 104 Ų | 104 | 71.2 Ų | 71.2 | 49% | 0.486 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -81.6 | -16.9 | 176.4 | -66 | -173.4 | 16.3 | 0 | 0 | 112.8 | Y207 T208 V213 | Y207-Q211 WeakPolarHBondContact O-CB 3.34Å; Y207-Q211 WeakPolarHBondContact O-CG 3.49Å; Y207-Q211 PolarHBondContact O-N 3.15Å; T208-Q211 PolarHBondContact O-N 2.76Å; Q211-V213 HydrophobicContact CB-CG2 3.62Å |
| 212 | G | 86 | Confident | 90.5 | Very high | 69 Ų | 69 | 69.5 Ų | 69.5 | 71% | 0.711 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | 33.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | T208 Q209 | T208-G212 PolarHBondContact O-N 2.84Å; Q209-G212 PolarHBondContact O-N 3.29Å |
| 213 | V | 88 | Confident | 90.2 | Very high | 41 Ų | 41 | 69.3 Ų | 69.3 | 25% | 0.248 | 35% | 0.345 | C | S | . | . | trans | -92.1 | 130.5 | -169.2 | 165.6 | 0 | 0 | 0 | 0 | 111.2 | T182 T208 Q211 V215 | T182-V213 HydrophobicContact CG2-CG1 3.16Å; T208-V213 HydrophobicContact CG2-CB 4.39Å; T208-V213 WeakPolarHBondContact CG2-O 3.27Å; T208-V213 PolarHBondContact O-N 3.22Å; Q211-V213 HydrophobicContact CB-CG2 3.62Å; V213-V215 PolarHBondContact O-N 2.81Å | ||
| 214 | D | 87.8 | Confident | 90 | Very high | 96 Ų | 96 | 72.5 Ų | 72.5 | 51% | 0.513 | 36% | 0.359 | S | S | . | . | trans | -89.2 | 98.8 | 174.4 | -171.8 | -12.9 | 0 | 0 | 0 | 110.5 | E216 A217 A218 | D214-E216 PolarHBondContact OD1-N 3.37Å; D214-A217 HydrophobicContact CB-CB 3.91Å; D214-A217 PolarHBondContact OD1-N 3.39Å; D214-A217 WeakPolarHBondContact OD2-CB 3.4Å; D214-A218 PolarHBondContact O-N 2.89Å | ||
| 215 | V | 86.7 | Confident | 89.8 | Confident | 12 Ų | 12 | 77.4 Ų | 77.4 | 7% | 0.073 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.1 | -39 | 176.3 | 166.6 | 0 | 0 | 0 | 0 | 111.7 | V190 T208 V213 A217 A218 K219 | V190-V215 HydrophobicContact CB-CG1 4.34Å; V190-V215 HydrophobicContact CG1-CG1 4.02Å; V190-V215 HydrophobicContact CG2-CG1 3.38Å; V190-V215 HydrophobicContact CG2-CG2 4.41Å; T208-V215 HydrophobicContact CG2-CG2 3.79Å; V213-V215 PolarHBondContact O-N 2.81Å; V215-A217 VanDerWaalsContact C-N 3.32Å; V215-A217 PolarHBondContact O-N 3.33Å; V215-A218 WeakPolarHBondContact O-CA 3.28Å; V215-A218 VanDerWaalsContact O-CB 3.26Å; V215-A218 WeakPolarHBondContact O-CB 3.41Å; V215-A218 PolarHBondContact O-N 3.49Å; V215-K219 PolarHBondContact O-N 3.48Å; V215-K219 VanDerWaalsContact O-N 3.08Å |
| 216 | E | 87.1 | Confident | 89.6 | Confident | 102 Ų | 102 | 73.7 Ų | 73.7 | 48% | 0.477 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -75.7 | -23.6 | -176.2 | -64 | -59.3 | 122.5 | 0 | 0 | 112 | D214 K219 R220 | D214-E216 PolarHBondContact OD1-N 3.37Å; E216-K219 WeakPolarHBondContact OE1-CE 3.27Å; E216-K219 IonicContact OE1-NZ 3.15Å; E216-K219 PolarHBondContact OE1-NZ 2.81Å; E216-R220 PolarHBondContact O-N 3.35Å; E216-R220 PolarHBondContact O-NE 3.3Å; E216-R220 PolarHBondContact O-NH2 3.01Å |
| 217 | A | 88.2 | Confident | 89.4 | Confident | 32 Ų | 32 | 72 Ų | 72 | 26% | 0.264 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -72.7 | -28.4 | 164 | 0 | 0 | 0 | 0 | 0 | 113 | D214 V215 R220 K221 | D214-A217 HydrophobicContact CB-CB 3.91Å; D214-A217 PolarHBondContact OD1-N 3.39Å; D214-A217 WeakPolarHBondContact OD2-CB 3.4Å; V215-A217 VanDerWaalsContact C-N 3.32Å; V215-A217 PolarHBondContact O-N 3.33Å; A217-R220 VanDerWaalsContact CA-NH2 3.28Å; A217-K221 WeakPolarHBondContact O-CB 3.49Å; A217-K221 PolarHBondContact O-N 3.08Å |
| 218 | A | 88.1 | Confident | 89.3 | Confident | 15 Ų | 15 | 73 Ų | 73 | 12% | 0.124 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -69.1 | -46.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | T182 V184 D214 V215 R220 K221 | T182-A218 HydrophobicContact CG2-CB 4.12Å; V184-A218 HydrophobicContact CG2-CB 4.1Å; D214-A218 PolarHBondContact O-N 2.89Å; V215-A218 WeakPolarHBondContact O-CA 3.28Å; V215-A218 VanDerWaalsContact O-CB 3.26Å; V215-A218 WeakPolarHBondContact O-CB 3.41Å; V215-A218 PolarHBondContact O-N 3.49Å; A218-R220 PolarHBondContact O-N 3.49Å; A218-K221 WeakPolarHBondContact O-CB 3.35Å; A218-K221 PolarHBondContact O-N 2.81Å |
| 219 | K | 88.5 | Confident | 89.2 | Confident | 44 Ų | 44 | 74.5 Ų | 74.5 | 19% | 0.191 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58 | -48.3 | 177.3 | -64.1 | -179.6 | -179.9 | 164.3 | 0 | 112.5 | G188 V190 D193 V215 E216 K221 | G188-K219 WeakPolarHBondContact O-CG 3.48Å; V190-K219 HydrophobicContact CG1-CG 4.27Å; D193-K219 IonicContact OD1-NZ 2.69Å; D193-K219 PolarHBondContact OD1-NZ 3.31Å; D193-K219 WeakPolarHBondContact OD2-CE 3.46Å; D193-K219 IonicContact OD2-NZ 2.97Å; D193-K219 PolarHBondContact OD2-NZ 3Å; V215-K219 PolarHBondContact O-N 3.48Å; V215-K219 VanDerWaalsContact O-N 3.08Å; E216-K219 WeakPolarHBondContact OE1-CE 3.27Å; E216-K219 IonicContact OE1-NZ 3.15Å; E216-K219 PolarHBondContact OE1-NZ 2.81Å; K219-K221 VanDerWaalsContact C-N 3.26Å; K219-K221 PolarHBondContact O-N 2.9Å |
| 220 | R | 89.5 | Confident | 89 | Confident | 109 Ų | 109 | 67.7 Ų | 67.7 | 41% | 0.411 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.9 | -19.4 | 177.7 | -76.4 | 178.3 | -71 | 116 | -3.8 | 114.6 | E216 A217 A218 E222 E223 E224 | E216-R220 PolarHBondContact O-N 3.35Å; E216-R220 PolarHBondContact O-NE 3.3Å; E216-R220 PolarHBondContact O-NH2 3.01Å; A217-R220 VanDerWaalsContact CA-NH2 3.28Å; A218-R220 PolarHBondContact O-N 3.49Å; R220-E222 PolarHBondContact O-N 2.69Å; R220-E223 PolarHBondContact O-N 2.93Å; R220-E223 VanDerWaalsContact O-N 3.15Å; R220-E224 HydrophobicContact CB-CG 4.33Å; R220-E224 IonicContact CZ-OE1 3.48Å; R220-E224 IonicContact NH1-OE1 2.65Å; R220-E224 PolarHBondContact NH1-OE1 2.92Å; R220-E224 WeakPolarHBondContact O-CB 3.45Å; R220-E224 WeakPolarHBondContact O-CG 3.25Å; R220-E224 PolarHBondContact O-N 3.45Å |
| 221 | K | 89.6 | Confident | 88.7 | Confident | 147 Ų | 147 | 64.3 Ų | 64.3 | 64% | 0.639 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -58.7 | -33.8 | -170.7 | -169.2 | -177.5 | 174.3 | -168 | 0 | 113.6 | A217 A218 K219 Q225 | A217-K221 WeakPolarHBondContact O-CB 3.49Å; A217-K221 PolarHBondContact O-N 3.08Å; A218-K221 WeakPolarHBondContact O-CB 3.35Å; A218-K221 PolarHBondContact O-N 2.81Å; K219-K221 VanDerWaalsContact C-N 3.26Å; K219-K221 PolarHBondContact O-N 2.9Å; K221-Q225 VanDerWaalsContact O-CB 3.23Å; K221-Q225 WeakPolarHBondContact O-CB 3.46Å; K221-Q225 PolarHBondContact O-N 3.16Å |
| 222 | E | 88.8 | Confident | 88.5 | Confident | 69 Ų | 69 | 64.5 Ų | 64.5 | 32% | 0.322 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.5 | -47.5 | 177.6 | -173.8 | -179.7 | 159.1 | 0 | 0 | 111.6 | R220 Q225 M226 K258 Y260 | R220-E222 PolarHBondContact O-N 2.69Å; E222-Q225 PolarHBondContact O-N 2.93Å; E222-M226 WeakPolarHBondContact O-CB 3.41Å; E222-M226 PolarHBondContact O-N 2.9Å; E222-K258 VanDerWaalsContact OE1-CE 3.31Å; E222-K258 WeakPolarHBondContact OE1-CE 3.49Å; E222-K258 IonicContact OE1-NZ 2.75Å; E222-K258 PolarHBondContact OE1-NZ 2.93Å; E222-K258 IonicContact OE2-NZ 3.84Å; E222-K258 PolarHBondContact OE2-NZ 3.02Å; E222-Y260 HydrophobicContact CG-CE2 4.17Å |
| 223 | E | 89 | Confident | 88.6 | Confident | 59 Ų | 59 | 63.3 Ų | 63.3 | 28% | 0.276 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | 175.2 | -174.3 | 171.9 | -144 | 0 | 0 | 111.6 | R220 Q225 M226 M227 Y260 | R220-E223 PolarHBondContact O-N 2.93Å; R220-E223 VanDerWaalsContact O-N 3.15Å; E223-Q225 PolarHBondContact O-N 2.93Å; E223-M226 PolarHBondContact O-N 3.31Å; E223-M227 HydrophobicContact CG-CG 4.45Å; E223-M227 VanDerWaalsContact O-CB 3.28Å; E223-M227 WeakPolarHBondContact O-CB 3.4Å; E223-M227 WeakPolarHBondContact O-CG 3.49Å; E223-M227 PolarHBondContact O-N 3.33Å; E223-Y260 HydrophobicContact CB-CD1 3.85Å; E223-Y260 HydrophobicContact CB-CD2 4.25Å; E223-Y260 HydrophobicContact CB-CE1 3.81Å; E223-Y260 HydrophobicContact CB-CE2 4.21Å; E223-Y260 HydrophobicContact CB-CG 4.08Å; E223-Y260 HydrophobicContact CG-CD1 3.82Å; E223-Y260 HydrophobicContact CG-CD2 4.39Å; E223-Y260 HydrophobicContact CG-CE1 4.31Å; E223-Y260 HydrophobicContact CG-CG 3.87Å; E223-Y260 WeakPolarHBondContact OE1-CA 3.43Å; E223-Y260 WeakPolarHBondContact OE1-CB 3.33Å |
| 224 | E | 91.7 | Very high | 88.3 | Confident | 100 Ų | 100 | 65.3 Ų | 65.3 | 47% | 0.467 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 177.2 | -74.1 | 177.2 | -167.4 | 0 | 0 | 112.2 | R220 S228 | R220-E224 HydrophobicContact CB-CG 4.33Å; R220-E224 IonicContact CZ-OE1 3.48Å; R220-E224 IonicContact NH1-OE1 2.65Å; R220-E224 PolarHBondContact NH1-OE1 2.92Å; R220-E224 WeakPolarHBondContact O-CB 3.45Å; R220-E224 WeakPolarHBondContact O-CG 3.25Å; R220-E224 PolarHBondContact O-N 3.45Å; E224-S228 WeakPolarHBondContact O-CB 3.26Å; E224-S228 PolarHBondContact O-N 3.49Å |
| 225 | Q | 90.5 | Very high | 88 | Confident | 103 Ų | 103 | 67.3 Ų | 67.3 | 48% | 0.481 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66 | -47.6 | 173.8 | -177.9 | 60.7 | 54.4 | 0 | 0 | 110.8 | K221 E222 E223 M227 S228 D229 | K221-Q225 VanDerWaalsContact O-CB 3.23Å; K221-Q225 WeakPolarHBondContact O-CB 3.46Å; K221-Q225 PolarHBondContact O-N 3.16Å; E222-Q225 PolarHBondContact O-N 2.93Å; E223-Q225 PolarHBondContact O-N 2.93Å; Q225-M227 VanDerWaalsContact C-N 3.31Å; Q225-M227 PolarHBondContact O-N 3.46Å; Q225-S228 WeakPolarHBondContact O-CB 3.45Å; Q225-S228 PolarHBondContact O-N 3.22Å; Q225-S228 VanDerWaalsContact O-N 3.14Å; Q225-D229 PolarHBondContact NE2-OD1 3.25Å; Q225-D229 PolarHBondContact NE2-OD2 2.58Å; Q225-D229 VanDerWaalsContact O-CG 3.32Å; Q225-D229 PolarHBondContact O-N 2.97Å |
| 226 | M | 89.8 | Confident | 87.5 | Confident | 21 Ų | 21 | 72.5 Ų | 72.5 | 10% | 0.103 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.8 | -36.9 | 178.4 | -168.1 | -175.4 | -60.2 | 0 | 0 | 112.4 | E222 E223 A230 V254 A255 Y260 A263 L267 | E222-M226 WeakPolarHBondContact O-CB 3.41Å; E222-M226 PolarHBondContact O-N 2.9Å; E223-M226 PolarHBondContact O-N 3.31Å; M226-A230 VanDerWaalsContact O-CB 3.25Å; M226-A230 WeakPolarHBondContact O-CB 3.47Å; M226-A230 PolarHBondContact O-N 2.76Å; M226-V254 HydrophobicContact CE-CB 3.85Å; M226-V254 HydrophobicContact CE-CG1 3.73Å; M226-A255 HydrophobicContact SD-CB 3.76Å; M226-Y260 HydrophobicContact CE-CD2 3.89Å; M226-Y260 HydrophobicContact CE-CE2 4.1Å; M226-Y260 HydrophobicContact SD-CD2 4.1Å; M226-A263 HydrophobicContact CG-CB 4.2Å; M226-A263 HydrophobicContact SD-CB 3.95Å; M226-L267 HydrophobicContact CG-CD1 4.43Å; M226-L267 HydrophobicContact SD-CD1 4.17Å |
| 227 | M | 89.4 | Confident | 86.9 | Confident | 28 Ų | 28 | 73.1 Ų | 73.1 | 14% | 0.138 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66 | -43.2 | 172.1 | -82.5 | -73.7 | -88.6 | 0 | 0 | 111.8 | E223 Q225 A230 M231 E262 A263 M266 | E223-M227 HydrophobicContact CG-CG 4.45Å; E223-M227 VanDerWaalsContact O-CB 3.28Å; E223-M227 WeakPolarHBondContact O-CB 3.4Å; E223-M227 WeakPolarHBondContact O-CG 3.49Å; E223-M227 PolarHBondContact O-N 3.33Å; Q225-M227 VanDerWaalsContact C-N 3.31Å; Q225-M227 PolarHBondContact O-N 3.46Å; M227-A230 PolarHBondContact O-N 3.34Å; M227-M231 HydrophobicContact CE-CE 3.85Å; M227-M231 WeakPolarHBondContact O-CB 3.37Å; M227-M231 VanDerWaalsContact O-CG 3.26Å; M227-M231 WeakPolarHBondContact O-CG 3.49Å; M227-M231 PolarHBondContact O-N 3.11Å; M227-E262 HydrophobicContact CE-CB 3.57Å; M227-E262 HydrophobicContact SD-CB 3.89Å; M227-A263 HydrophobicContact CG-CB 4.08Å; M227-A263 VanDerWaalsContact SD-CA 3.54Å; M227-A263 HydrophobicContact SD-CB 4.06Å; M227-A263 PolarHBondContact SD-N 3.25Å; M227-A263 VanDerWaalsContact SD-N 3.36Å; M227-M266 HydrophobicContact SD-CG 4.14Å |
| 228 | S | 89.8 | Confident | 86.4 | Confident | 57 Ų | 57 | 73.4 Ų | 73.4 | 40% | 0.399 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 174.5 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | E224 Q225 M231 M232 | E224-S228 WeakPolarHBondContact O-CB 3.26Å; E224-S228 PolarHBondContact O-N 3.49Å; Q225-S228 WeakPolarHBondContact O-CB 3.45Å; Q225-S228 PolarHBondContact O-N 3.22Å; Q225-S228 VanDerWaalsContact O-N 3.14Å; S228-M231 PolarHBondContact O-N 2.78Å; S228-M232 WeakPolarHBondContact O-CG 3.41Å; S228-M232 PolarHBondContact O-N 3.46Å |
| 229 | D | 89.9 | Confident | 85.8 | Confident | 47 Ų | 47 | 75.8 Ų | 75.8 | 25% | 0.251 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.4 | -40.1 | -179.8 | -66.2 | -31.1 | 0 | 0 | 0 | 111.6 | Q225 M231 M232 W233 | Q225-D229 PolarHBondContact NE2-OD1 3.25Å; Q225-D229 PolarHBondContact NE2-OD2 2.58Å; Q225-D229 VanDerWaalsContact O-CG 3.32Å; Q225-D229 PolarHBondContact O-N 2.97Å; D229-M231 PolarHBondContact O-N 2.99Å; D229-M232 WeakPolarHBondContact O-CB 3.48Å; D229-M232 PolarHBondContact O-N 3.18Å; D229-M232 VanDerWaalsContact O-N 3.17Å; D229-W233 HydrophobicContact CB-CH2 4.14Å; D229-W233 HydrophobicContact CB-CZ2 3.83Å; D229-W233 PolarHBondContact O-N 3.45Å |
| 230 | A | 88 | Confident | 84.7 | Confident | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M226 M227 M232 W233 L234 M266 L267 C270 | M226-A230 VanDerWaalsContact O-CB 3.25Å; M226-A230 WeakPolarHBondContact O-CB 3.47Å; M226-A230 PolarHBondContact O-N 2.76Å; M227-A230 PolarHBondContact O-N 3.34Å; A230-M232 VanDerWaalsContact C-N 3.3Å; A230-M232 PolarHBondContact O-N 3.2Å; A230-W233 PolarHBondContact O-N 3.47Å; A230-L234 PolarHBondContact O-N 3.41Å; A230-M266 HydrophobicContact CB-CB 4.01Å; A230-L267 HydrophobicContact CB-CD2 3.71Å; A230-L267 HydrophobicContact CB-CG 4.08Å; A230-C270 PolarHBondContact O-SG 3.31Å; A230-C270 VanDerWaalsContact O-SG 3.33Å |
| 231 | M | 86.2 | Confident | 83.8 | Confident | 96 Ų | 96 | 79.8 Ų | 79.8 | 47% | 0.473 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.4 | -31.8 | 173.2 | -73.6 | -176 | -159.8 | 0 | 0 | 112.2 | M227 S228 D229 N235 | M227-M231 HydrophobicContact CE-CE 3.85Å; M227-M231 WeakPolarHBondContact O-CB 3.37Å; M227-M231 VanDerWaalsContact O-CG 3.26Å; M227-M231 WeakPolarHBondContact O-CG 3.49Å; M227-M231 PolarHBondContact O-N 3.11Å; S228-M231 PolarHBondContact O-N 2.78Å; D229-M231 PolarHBondContact O-N 2.99Å; M231-N235 PolarHBondContact O-ND2 2.87Å |
| 232 | M | 86.1 | Confident | 83.4 | Confident | 108 Ų | 108 | 74.9 Ų | 74.9 | 53% | 0.532 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.5 | -45.1 | 169.4 | -71.7 | -175.3 | 63.1 | 0 | 0 | 111.2 | S228 D229 A230 L234 N235 D236 | S228-M232 WeakPolarHBondContact O-CG 3.41Å; S228-M232 PolarHBondContact O-N 3.46Å; D229-M232 WeakPolarHBondContact O-CB 3.48Å; D229-M232 PolarHBondContact O-N 3.18Å; D229-M232 VanDerWaalsContact O-N 3.17Å; A230-M232 VanDerWaalsContact C-N 3.3Å; A230-M232 PolarHBondContact O-N 3.2Å; M232-L234 PolarHBondContact O-N 3.19Å; M232-N235 PolarHBondContact O-N 3.43Å; M232-D236 PolarHBondContact O-N 3.32Å |
| 233 | W | 87.1 | Confident | 83.3 | Confident | 43 Ų | 43 | 76.4 Ų | 76.4 | 16% | 0.163 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -68.5 | -16.5 | -179.4 | -57.7 | -19.8 | 0 | 0 | 0 | 115 | D229 A230 D236 P238 L242 P251 L267 C270 L272 | D229-W233 HydrophobicContact CB-CH2 4.14Å; D229-W233 HydrophobicContact CB-CZ2 3.83Å; D229-W233 PolarHBondContact O-N 3.45Å; A230-W233 PolarHBondContact O-N 3.47Å; W233-D236 CarbonylContact C-O 3.6Å; W233-D236 VanDerWaalsContact C-O 3.31Å; W233-D236 WeakPolarHBondContact CA-O 3.25Å; W233-D236 VanDerWaalsContact O-O 3.05Å; W233-P238 HydrophobicContact CB-CB 4.12Å; W233-P238 HydrophobicContact CD2-CB 4.44Å; W233-P238 HydrophobicContact CG-CB 4.1Å; W233-L242 HydrophobicContact CE3-CD1 4.42Å; W233-L242 HydrophobicContact CH2-CD1 4.47Å; W233-L242 HydrophobicContact CH2-CD2 3.48Å; W233-L242 VanDerWaalsContact CH2-CD2 3.48Å; W233-L242 HydrophobicContact CZ2-CD2 3.45Å; W233-L242 VanDerWaalsContact CZ2-CD2 3.45Å; W233-L242 HydrophobicContact CZ3-CD1 4.26Å; W233-L242 HydrophobicContact CZ3-CD2 4.1Å; W233-P251 HydrophobicContact CH2-CB 4.27Å; W233-P251 HydrophobicContact CH2-CG 3.7Å; W233-P251 HydrophobicContact CZ3-CB 4.07Å; W233-P251 HydrophobicContact CZ3-CG 3.79Å; W233-L267 HydrophobicContact CE3-CD2 3.58Å; W233-L267 HydrophobicContact CZ3-CD2 3.47Å; W233-L267 VanDerWaalsContact CZ3-CD2 3.47Å; W233-C270 HydrophobicContact CB-CB 4.36Å; W233-L272 HydrophobicContact CE3-CD1 4.4Å |
| 234 | L | 83.3 | Confident | 83.1 | Confident | 84 Ų | 84 | 76 Ų | 76 | 44% | 0.44 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -77.3 | -24.9 | 170.5 | -166.8 | 71.1 | 0 | 0 | 0 | 112.5 | A230 M232 M266 Q269 C270 | A230-L234 PolarHBondContact O-N 3.41Å; M232-L234 PolarHBondContact O-N 3.19Å; L234-M266 HydrophobicContact CD2-CE 3.68Å; L234-Q269 HydrophobicContact CD1-CB 4.23Å; L234-C270 PolarHBondContact N-SG 3.19Å |
| 235 | N | 80.8 | Confident | 82.8 | Confident | 138 Ų | 138 | 77 Ų | 77 | 74% | 0.738 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -97.5 | -47.3 | -179.3 | -72.2 | -78 | 0 | 0 | 0 | 111.9 | M231 M232 | M231-N235 PolarHBondContact O-ND2 2.87Å; M232-N235 PolarHBondContact O-N 3.43Å |
| 236 | D | 75.4 | Confident | 82.4 | Confident | 120 Ų | 120 | 80.5 Ų | 80.5 | 64% | 0.642 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -108.8 | 131 | 173.6 | -72.2 | -47.5 | 0 | 0 | 0 | 109 | M232 W233 | M232-D236 PolarHBondContact O-N 3.32Å; W233-D236 CarbonylContact C-O 3.6Å; W233-D236 VanDerWaalsContact C-O 3.31Å; W233-D236 WeakPolarHBondContact CA-O 3.25Å; W233-D236 VanDerWaalsContact O-O 3.05Å |
| 237 | S | 76.2 | Confident | 82.2 | Confident | 115 Ų | 115 | 82.6 Ų | 82.6 | 80% | 0.804 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 136.6 | -176.1 | -172.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 238 | P | 77.3 | Confident | 82.2 | Confident | 39 Ų | 39 | 81.3 Ų | 81.3 | 25% | 0.253 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 145.5 | -173.9 | 18.4 | -31.9 | 0 | 0 | 0 | 113 | W233 L242 L272 | W233-P238 HydrophobicContact CB-CB 4.12Å; W233-P238 HydrophobicContact CD2-CB 4.44Å; W233-P238 HydrophobicContact CG-CB 4.1Å; P238-L242 HydrophobicContact CB-CD1 4.13Å; P238-L272 HydrophobicContact CB-CD1 4.47Å; P238-L272 HydrophobicContact CG-CD1 4.49Å |
| 239 | P | 75.3 | Confident | 82.2 | Confident | 65 Ų | 65 | 79.2 Ų | 79.2 | 42% | 0.422 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 151.3 | -177.2 | 28.1 | -34.1 | 0 | 0 | 0 | 111.8 | D241 L242 | P239-D241 PolarHBondContact O-N 3.08Å; P239-L242 HydrophobicContact CG-CD2 3.57Å; P239-L242 HydrophobicContact CG-CG 3.94Å |
| 240 | A | 65.7 | Low | 82.3 | Confident | 117 Ų | 117 | 77.6 Ų | 77.6 | 97% | 0.967 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -70.8 | -13.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 241 | D | 69.8 | Low | 82.5 | Confident | 120 Ų | 120 | 78.6 Ų | 78.6 | 64% | 0.642 | 44% | 0.435 | S | S | * | . | trans | -131.9 | 128 | 167.6 | -162.7 | -5.1 | 0 | 0 | 0 | 108.9 | P239 R243 | P239-D241 PolarHBondContact O-N 3.08Å; D241-R243 PolarHBondContact OD1-N 3.42Å; D241-R243 VanDerWaalsContact OD1-N 3.15Å | ||
| 242 | L | 81.4 | Confident | 82.7 | Confident | 44 Ų | 44 | 74 Ų | 74 | 23% | 0.23 | 41% | 0.413 | C | S | . | . | trans | -133.8 | 13 | -175.2 | -82.5 | 176.5 | 0 | 0 | 0 | 111.1 | W233 P238 P239 P251 L272 | W233-L242 HydrophobicContact CE3-CD1 4.42Å; W233-L242 HydrophobicContact CH2-CD1 4.47Å; W233-L242 HydrophobicContact CH2-CD2 3.48Å; W233-L242 VanDerWaalsContact CH2-CD2 3.48Å; W233-L242 HydrophobicContact CZ2-CD2 3.45Å; W233-L242 VanDerWaalsContact CZ2-CD2 3.45Å; W233-L242 HydrophobicContact CZ3-CD1 4.26Å; W233-L242 HydrophobicContact CZ3-CD2 4.1Å; P238-L242 HydrophobicContact CB-CD1 4.13Å; P239-L242 HydrophobicContact CG-CD2 3.57Å; P239-L242 HydrophobicContact CG-CG 3.94Å; L242-P251 HydrophobicContact CB-CG 4.46Å; L242-P251 HydrophobicContact CD2-CG 4.32Å; L242-P251 WeakPolarHBondContact O-CD 3.47Å; L242-L272 HydrophobicContact CD1-CD2 4.25Å; L242-L272 HydrophobicContact CD1-CG 4.49Å | ||
| 243 | R | 85.8 | Confident | 83.1 | Confident | 100 Ų | 100 | 69.2 Ų | 69.2 | 38% | 0.377 | 39% | 0.389 | S | S | . | . | trans | -90.8 | 136.6 | -173.1 | -67.2 | 176.1 | 166.6 | -89.4 | 4.6 | 111.3 | D241 G248 A249 T250 T277 | D241-R243 PolarHBondContact OD1-N 3.42Å; D241-R243 VanDerWaalsContact OD1-N 3.15Å; R243-G248 WeakPolarHBondContact CG-O 3.42Å; R243-G248 PolarHBondContact NH1-O 2.92Å; R243-A249 CarbonylContact C-O 3.56Å; R243-A249 WeakPolarHBondContact CA-O 3.42Å; R243-T250 HydrophobicContact CG-CG2 4.27Å; R243-T277 VanDerWaalsContact CZ-O 3.24Å; R243-T277 PolarHBondContact NH1-O 3.13Å; R243-T277 PolarHBondContact NH2-O 2.88Å | ||
| 244 | D | 85.3 | Confident | 83.2 | Confident | 52 Ų | 52 | 69.5 Ų | 69.5 | 28% | 0.278 | 40% | 0.395 | S | S | . | . | trans | -61.6 | 133 | 169.2 | 175.8 | -89.6 | 0 | 0 | 0 | 110.1 | R246 T247 G248 A249 | D244-R246 PolarHBondContact O-N 3.35Å; D244-R246 VanDerWaalsContact O-N 3.15Å; D244-R246 WeakPolarHBondContact OD1-CA 3.4Å; D244-R246 VanDerWaalsContact OD1-CB 3.28Å; D244-R246 WeakPolarHBondContact OD1-CB 3.42Å; D244-R246 PolarHBondContact OD1-N 3.16Å; D244-R246 IonicContact OD1-NE 2.59Å; D244-T247 PolarHBondContact OD1-N 2.91Å; D244-T247 PolarHBondContact OD1-OG1 3.05Å; D244-G248 WeakPolarHBondContact O-CA 3.29Å; D244-G248 PolarHBondContact O-N 3.14Å; D244-A249 PolarHBondContact N-O 3.27Å | ||
| 245 | P | 86.2 | Confident | 83.7 | Confident | 120 Ų | 120 | 65.5 Ų | 65.5 | 78% | 0.779 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -16 | -176.6 | -25.5 | 35.5 | 0 | 0 | 0 | 116.1 | ||
| 246 | R | 82.1 | Confident | 84.4 | Confident | 176 Ų | 176 | 58.9 Ų | 58.9 | 66% | 0.664 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -48 | -176.9 | -56.7 | 176 | -68.5 | 166.2 | 1.4 | 111.8 | D244 F279 | D244-R246 PolarHBondContact O-N 3.35Å; D244-R246 VanDerWaalsContact O-N 3.15Å; D244-R246 WeakPolarHBondContact OD1-CA 3.4Å; D244-R246 VanDerWaalsContact OD1-CB 3.28Å; D244-R246 WeakPolarHBondContact OD1-CB 3.42Å; D244-R246 PolarHBondContact OD1-N 3.16Å; D244-R246 IonicContact OD1-NE 2.59Å; R246-F279 WeakPolarHBondContact O-CD2 3.31Å |
| 247 | T | 85.9 | Confident | 85.2 | Confident | 66 Ų | 66 | 54.2 Ų | 54.2 | 41% | 0.405 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -19.1 | -177 | 62.5 | 0 | 0 | 0 | 0 | 113.5 | D244 A249 F279 | D244-T247 PolarHBondContact OD1-N 2.91Å; D244-T247 PolarHBondContact OD1-OG1 3.05Å; T247-A249 PolarHBondContact O-N 3.28Å; T247-A249 VanDerWaalsContact OG1-CB 3.26Å; T247-A249 WeakPolarHBondContact OG1-CB 3.35Å; T247-A249 PolarHBondContact OG1-N 3.26Å; T247-F279 WeakPolarHBondContact O-CB 3.29Å; T247-F279 WeakPolarHBondContact O-CD2 3.35Å; T247-F279 WeakPolarHBondContact O-CG 3.44Å; T247-F279 PolarHBondContact O-N 3.25Å; T247-F279 VanDerWaalsContact O-N 3.07Å |
| 248 | G | 89.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | 72.9 | 1.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R243 D244 F279 | R243-G248 WeakPolarHBondContact CG-O 3.42Å; R243-G248 PolarHBondContact NH1-O 2.92Å; D244-G248 WeakPolarHBondContact O-CA 3.29Å; D244-G248 PolarHBondContact O-N 3.14Å; G248-F279 VanDerWaalsContact N-CE2 3.33Å | ||
| 249 | A | 89.9 | Confident | 86.5 | Confident | 13 Ų | 13 | 50.1 Ų | 50.1 | 11% | 0.107 | 29% | 0.285 | C | S | . | . | trans | -65.7 | 146.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R243 D244 T247 H253 D278 | R243-A249 CarbonylContact C-O 3.56Å; R243-A249 WeakPolarHBondContact CA-O 3.42Å; D244-A249 PolarHBondContact N-O 3.27Å; T247-A249 PolarHBondContact O-N 3.28Å; T247-A249 VanDerWaalsContact OG1-CB 3.26Å; T247-A249 WeakPolarHBondContact OG1-CB 3.35Å; T247-A249 PolarHBondContact OG1-N 3.26Å; A249-H253 HydrophobicContact CB-CB 4.04Å; A249-D278 HydrophobicContact CB-CB 4.34Å | ||
| 250 | T | 91.6 | Very high | 87.3 | Confident | 14 Ų | 14 | 48.2 Ų | 48.2 | 9% | 0.086 | 27% | 0.27 | C | S | . | . | trans | -93.8 | 165.2 | 174.3 | 70.9 | 0 | 0 | 0 | 0 | 110.9 | R243 L252 H253 V254 A276 | R243-T250 HydrophobicContact CG-CG2 4.27Å; T250-L252 PolarHBondContact O-N 2.86Å; T250-L252 VanDerWaalsContact O-N 3.08Å; T250-H253 PolarHBondContact N-ND1 3.21Å; T250-H253 WeakPolarHBondContact O-CB 3.5Å; T250-H253 PolarHBondContact O-N 2.97Å; T250-H253 PolarHBondContact OG1-ND1 3.41Å; T250-V254 PolarHBondContact O-N 2.64Å; T250-A276 HydrophobicContact CG2-CB 4.35Å | ||
| 251 | P | 91 | Very high | 88.5 | Confident | 21 Ų | 21 | 44.5 Ų | 44.5 | 14% | 0.136 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.7 | -29.2 | 177.9 | -24.7 | 35.8 | 0 | 0 | 0 | 112.6 | W233 L242 H253 V254 A255 L267 | W233-P251 HydrophobicContact CH2-CB 4.27Å; W233-P251 HydrophobicContact CH2-CG 3.7Å; W233-P251 HydrophobicContact CZ3-CB 4.07Å; W233-P251 HydrophobicContact CZ3-CG 3.79Å; L242-P251 HydrophobicContact CB-CG 4.46Å; L242-P251 HydrophobicContact CD2-CG 4.32Å; L242-P251 WeakPolarHBondContact O-CD 3.47Å; P251-H253 VanDerWaalsContact C-N 3.31Å; P251-H253 PolarHBondContact O-N 3.41Å; P251-V254 PolarHBondContact O-N 3.47Å; P251-A255 WeakPolarHBondContact O-CB 3.3Å; P251-A255 PolarHBondContact O-N 3.1Å; P251-L267 HydrophobicContact CB-CD1 4.02Å; P251-L267 HydrophobicContact CB-CD2 4.45Å |
| 252 | L | 92.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.4 | -29.4 | 175.5 | -161.3 | 70.7 | 0 | 0 | 0 | 112.8 | T250 A256 L264 L267 L272 V274 P284 | T250-L252 PolarHBondContact O-N 2.86Å; T250-L252 VanDerWaalsContact O-N 3.08Å; L252-A256 WeakPolarHBondContact O-CB 3.43Å; L252-A256 PolarHBondContact O-N 3.48Å; L252-A256 VanDerWaalsContact O-N 3.14Å; L252-L264 HydrophobicContact CD1-CD1 3.76Å; L252-L264 HydrophobicContact CG-CD1 4.33Å; L252-L267 HydrophobicContact CD1-CB 3.73Å; L252-L267 HydrophobicContact CD1-CD1 4.39Å; L252-L272 HydrophobicContact CB-CD2 4.38Å; L252-L272 HydrophobicContact CD2-CB 4.44Å; L252-V274 HydrophobicContact CD2-CB 4.35Å; L252-V274 HydrophobicContact CD2-CG1 4.38Å; L252-V274 HydrophobicContact CD2-CG2 4.28Å; L252-P284 HydrophobicContact CB-CG 4.24Å; L252-P284 HydrophobicContact CD2-CB 4.49Å; L252-P284 HydrophobicContact CD2-CG 3.96Å; L252-P284 HydrophobicContact CG-CB 4.26Å; L252-P284 HydrophobicContact CG-CG 4.04Å |
| 253 | H | 92.9 | Very high | 89.9 | Confident | 7 Ų | 7 | 43 Ų | 43 | 3% | 0.032 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.8 | -42.9 | 171.8 | -67.3 | 70.1 | 0 | 0 | 0 | 111.2 | A249 T250 P251 A256 A257 A276 W282 | A249-H253 HydrophobicContact CB-CB 4.04Å; T250-H253 PolarHBondContact N-ND1 3.21Å; T250-H253 WeakPolarHBondContact O-CB 3.5Å; T250-H253 PolarHBondContact O-N 2.97Å; T250-H253 PolarHBondContact OG1-ND1 3.41Å; P251-H253 VanDerWaalsContact C-N 3.31Å; P251-H253 PolarHBondContact O-N 3.41Å; H253-A256 PolarHBondContact O-N 3.39Å; H253-A257 WeakPolarHBondContact O-CB 3.4Å; H253-A257 PolarHBondContact O-N 2.92Å; H253-A276 PolarHBondContact CE1-O 3.18Å; H253-A276 PolarHBondContact NE2-O 3.35Å; H253-W282 PolarHBondContact NE2-O 3.3Å |
| 254 | V | 91.1 | Very high | 90.2 | Very high | 48 Ų | 48 | 38.3 Ų | 38.3 | 29% | 0.291 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.9 | -46 | -179.6 | -172.2 | 0 | 0 | 0 | 0 | 110.6 | M226 T250 P251 A256 A257 K258 | M226-V254 HydrophobicContact CE-CB 3.85Å; M226-V254 HydrophobicContact CE-CG1 3.73Å; T250-V254 PolarHBondContact O-N 2.64Å; P251-V254 PolarHBondContact O-N 3.47Å; V254-A256 PolarHBondContact O-N 3.33Å; V254-A257 PolarHBondContact O-N 3.24Å; V254-K258 HydrophobicContact CG1-CD 4.25Å; V254-K258 HydrophobicContact CG1-CG 4.48Å; V254-K258 PolarHBondContact O-N 3.27Å |
| 255 | A | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.3 | -37.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M226 P251 G259 Y260 L264 L267 | M226-A255 HydrophobicContact SD-CB 3.76Å; P251-A255 WeakPolarHBondContact O-CB 3.3Å; P251-A255 PolarHBondContact O-N 3.1Å; A255-G259 PolarHBondContact O-N 3.16Å; A255-G259 VanDerWaalsContact O-N 3.11Å; A255-Y260 PolarHBondContact O-N 2.69Å; A255-L264 HydrophobicContact CB-CB 4.12Å; A255-L264 HydrophobicContact CB-CD1 3.89Å; A255-L267 HydrophobicContact CB-CD1 4.1Å |
| 256 | A | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -73.9 | -38.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L252 H253 V254 L264 P284 A288 Q293 L300 | L252-A256 WeakPolarHBondContact O-CB 3.43Å; L252-A256 PolarHBondContact O-N 3.48Å; L252-A256 VanDerWaalsContact O-N 3.14Å; H253-A256 PolarHBondContact O-N 3.39Å; V254-A256 PolarHBondContact O-N 3.33Å; A256-L264 HydrophobicContact CB-CD1 4.06Å; A256-P284 HydrophobicContact CB-CB 4Å; A256-P284 VanDerWaalsContact CB-O 3.28Å; A256-P284 WeakPolarHBondContact CB-O 3.41Å; A256-A288 HydrophobicContact CB-CB 4.16Å; A256-A288 WeakPolarHBondContact O-CA 3.39Å; A256-Q293 WeakPolarHBondContact O-CG 3.31Å; A256-L300 HydrophobicContact CB-CD1 4.06Å |
| 257 | A | 92.1 | Very high | 91 | Very high | 21 Ų | 21 | 27.8 Ų | 27.8 | 17% | 0.174 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.1 | -45.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | H253 V254 A287 W291 Q293 | H253-A257 WeakPolarHBondContact O-CB 3.4Å; H253-A257 PolarHBondContact O-N 2.92Å; V254-A257 PolarHBondContact O-N 3.24Å; A257-A287 HydrophobicContact CB-CB 4.24Å; A257-W291 HydrophobicContact CB-CG 4.39Å; A257-W291 WeakPolarHBondContact O-CB 3.23Å; A257-Q293 VanDerWaalsContact O-CG 3.29Å; A257-Q293 WeakPolarHBondContact O-CG 3.39Å; A257-Q293 PolarHBondContact O-NE2 3.32Å; A257-Q293 VanDerWaalsContact O-NE2 3.12Å |
| 258 | K | 89.6 | Confident | 91.1 | Very high | 51 Ų | 51 | 25.3 Ų | 25.3 | 22% | 0.222 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -86.6 | -6.2 | -176.9 | -61.9 | -164.6 | 174.3 | -161.8 | 0 | 114.3 | C186 E222 V254 Y260 | C186-K258 WeakPolarHBondContact O-CE 3.36Å; C186-K258 PolarHBondContact O-NZ 3.35Å; C186-K258 VanDerWaalsContact O-NZ 3.1Å; E222-K258 VanDerWaalsContact OE1-CE 3.31Å; E222-K258 WeakPolarHBondContact OE1-CE 3.49Å; E222-K258 IonicContact OE1-NZ 2.75Å; E222-K258 PolarHBondContact OE1-NZ 2.93Å; E222-K258 IonicContact OE2-NZ 3.84Å; E222-K258 PolarHBondContact OE2-NZ 3.02Å; V254-K258 HydrophobicContact CG1-CD 4.25Å; V254-K258 HydrophobicContact CG1-CG 4.48Å; V254-K258 PolarHBondContact O-N 3.27Å; K258-Y260 VanDerWaalsContact C-N 3.35Å; K258-Y260 HydrophobicContact CB-CD1 4.16Å; K258-Y260 HydrophobicContact CB-CD2 4.06Å; K258-Y260 HydrophobicContact CB-CE1 3.94Å; K258-Y260 HydrophobicContact CB-CE2 3.85Å; K258-Y260 HydrophobicContact CB-CG 4.22Å; K258-Y260 HydrophobicContact CD-CE1 4.46Å; K258-Y260 HydrophobicContact CD-CE2 3.69Å; K258-Y260 WeakPolarHBondContact CD-OH 3.04Å; K258-Y260 HydrophobicContact CG-CE2 4.32Å; K258-Y260 PolarHBondContact O-N 3.29Å |
| 259 | G | 91.2 | Very high | 91 | Very high | 17 Ų | 17 | 31.1 Ų | 31.1 | 18% | 0.175 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73 | 20.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | A255 M261 | A255-G259 PolarHBondContact O-N 3.16Å; A255-G259 VanDerWaalsContact O-N 3.11Å; G259-M261 VanDerWaalsContact C-N 3.28Å; G259-M261 WeakPolarHBondContact O-CE 3.46Å; G259-M261 PolarHBondContact O-N 2.98Å |
| 260 | Y | 92.1 | Very high | 90.7 | Very high | 26 Ų | 26 | 31.4 Ų | 31.4 | 10% | 0.102 | 16% | 0.162 | C | C | . | . | trans | -66.4 | 81.5 | 179.3 | -63 | -30.3 | 0 | 0 | 0 | 111.5 | E222 E223 M226 A255 K258 E262 A263 L264 | E222-Y260 HydrophobicContact CG-CE2 4.17Å; E223-Y260 HydrophobicContact CB-CD1 3.85Å; E223-Y260 HydrophobicContact CB-CD2 4.25Å; E223-Y260 HydrophobicContact CB-CE1 3.81Å; E223-Y260 HydrophobicContact CB-CE2 4.21Å; E223-Y260 HydrophobicContact CB-CG 4.08Å; E223-Y260 HydrophobicContact CG-CD1 3.82Å; E223-Y260 HydrophobicContact CG-CD2 4.39Å; E223-Y260 HydrophobicContact CG-CE1 4.31Å; E223-Y260 HydrophobicContact CG-CG 3.87Å; E223-Y260 WeakPolarHBondContact OE1-CA 3.43Å; E223-Y260 WeakPolarHBondContact OE1-CB 3.33Å; M226-Y260 HydrophobicContact CE-CD2 3.89Å; M226-Y260 HydrophobicContact CE-CE2 4.1Å; M226-Y260 HydrophobicContact SD-CD2 4.1Å; A255-Y260 PolarHBondContact O-N 2.69Å; K258-Y260 VanDerWaalsContact C-N 3.35Å; K258-Y260 HydrophobicContact CB-CD1 4.16Å; K258-Y260 HydrophobicContact CB-CD2 4.06Å; K258-Y260 HydrophobicContact CB-CE1 3.94Å; K258-Y260 HydrophobicContact CB-CE2 3.85Å; K258-Y260 HydrophobicContact CB-CG 4.22Å; K258-Y260 HydrophobicContact CD-CE1 4.46Å; K258-Y260 HydrophobicContact CD-CE2 3.69Å; K258-Y260 WeakPolarHBondContact CD-OH 3.04Å; K258-Y260 HydrophobicContact CG-CE2 4.32Å; K258-Y260 PolarHBondContact O-N 3.29Å; Y260-E262 PolarHBondContact O-N 3.08Å; Y260-A263 PolarHBondContact O-N 3.45Å; Y260-L264 WeakPolarHBondContact O-CB 3.39Å; Y260-L264 PolarHBondContact O-N 2.96Å | ||
| 261 | M | 90.8 | Very high | 90.3 | Very high | 39 Ų | 39 | 33.7 Ų | 33.7 | 19% | 0.192 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.5 | -33 | -160.2 | -157.3 | 56.1 | 45.2 | 0 | 0 | 113.8 | G259 L264 K265 E295 A296 V299 | G259-M261 VanDerWaalsContact C-N 3.28Å; G259-M261 WeakPolarHBondContact O-CE 3.46Å; G259-M261 PolarHBondContact O-N 2.98Å; M261-L264 HydrophobicContact SD-CD2 4.37Å; M261-K265 WeakPolarHBondContact O-CD 3.49Å; M261-K265 VanDerWaalsContact O-CG 3.23Å; M261-K265 WeakPolarHBondContact O-CG 3.48Å; M261-K265 PolarHBondContact O-N 2.99Å; M261-E295 HydrophobicContact CE-CB 3.5Å; M261-E295 VanDerWaalsContact CE-CB 3.5Å; M261-E295 HydrophobicContact SD-CB 3.83Å; M261-A296 HydrophobicContact CE-CB 4.12Å; M261-V299 HydrophobicContact SD-CG2 3.8Å |
| 262 | E | 90.4 | Very high | 90 | Very high | 133 Ų | 133 | 33.6 Ų | 33.6 | 62% | 0.621 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -75.2 | -46.8 | 176.3 | -58.6 | -162.8 | 167.9 | 0 | 0 | 110.1 | M227 Y260 L264 K265 M266 | M227-E262 HydrophobicContact CE-CB 3.57Å; M227-E262 HydrophobicContact SD-CB 3.89Å; Y260-E262 PolarHBondContact O-N 3.08Å; E262-L264 PolarHBondContact O-N 3Å; E262-K265 PolarHBondContact O-N 3.44Å; E262-M266 WeakPolarHBondContact O-CG 3.32Å; E262-M266 PolarHBondContact O-N 2.97Å |
| 263 | A | 91.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.1 | -47.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | M226 M227 Y260 K265 M266 L267 | M226-A263 HydrophobicContact CG-CB 4.2Å; M226-A263 HydrophobicContact SD-CB 3.95Å; M227-A263 HydrophobicContact CG-CB 4.08Å; M227-A263 VanDerWaalsContact SD-CA 3.54Å; M227-A263 HydrophobicContact SD-CB 4.06Å; M227-A263 PolarHBondContact SD-N 3.25Å; M227-A263 VanDerWaalsContact SD-N 3.36Å; Y260-A263 PolarHBondContact O-N 3.45Å; A263-K265 VanDerWaalsContact C-N 3.32Å; A263-K265 PolarHBondContact O-N 3.41Å; A263-M266 PolarHBondContact O-N 3.43Å; A263-M266 VanDerWaalsContact O-N 3.16Å; A263-L267 WeakPolarHBondContact O-CB 3.41Å; A263-L267 WeakPolarHBondContact O-CG 3.48Å; A263-L267 PolarHBondContact O-N 2.86Å |
| 264 | L | 92.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.6 | -45 | 177.2 | -170.1 | 73.6 | 0 | 0 | 0 | 112 | L252 A255 A256 Y260 M261 E262 C268 A296 V299 L300 | L252-L264 HydrophobicContact CD1-CD1 3.76Å; L252-L264 HydrophobicContact CG-CD1 4.33Å; A255-L264 HydrophobicContact CB-CB 4.12Å; A255-L264 HydrophobicContact CB-CD1 3.89Å; A256-L264 HydrophobicContact CB-CD1 4.06Å; Y260-L264 WeakPolarHBondContact O-CB 3.39Å; Y260-L264 PolarHBondContact O-N 2.96Å; M261-L264 HydrophobicContact SD-CD2 4.37Å; E262-L264 PolarHBondContact O-N 3Å; L264-C268 PolarHBondContact O-N 3.47Å; L264-C268 PolarHBondContact O-SG 2.71Å; L264-A296 HydrophobicContact CD2-CB 3.72Å; L264-V299 HydrophobicContact CD2-CB 3.94Å; L264-V299 HydrophobicContact CD2-CG1 3.91Å; L264-V299 HydrophobicContact CG-CG1 4.17Å; L264-L300 HydrophobicContact CD1-CD2 4.29Å |
| 265 | K | 91.1 | Very high | 89.1 | Confident | 90 Ų | 90 | 39.6 Ų | 39.6 | 39% | 0.391 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68.9 | -36.8 | 178.5 | -72.5 | 168.9 | -172.7 | 173.9 | 0 | 112.3 | M261 E262 A263 Q269 V299 | M261-K265 WeakPolarHBondContact O-CD 3.49Å; M261-K265 VanDerWaalsContact O-CG 3.23Å; M261-K265 WeakPolarHBondContact O-CG 3.48Å; M261-K265 PolarHBondContact O-N 2.99Å; E262-K265 PolarHBondContact O-N 3.44Å; A263-K265 VanDerWaalsContact C-N 3.32Å; A263-K265 PolarHBondContact O-N 3.41Å; K265-Q269 WeakPolarHBondContact O-CG 3.32Å; K265-Q269 PolarHBondContact O-N 2.89Å; K265-Q269 PolarHBondContact O-NE2 2.85Å; K265-V299 HydrophobicContact CD-CG2 4.39Å; K265-V299 HydrophobicContact CG-CG1 3.93Å; K265-V299 HydrophobicContact CG-CG2 4.14Å |
| 266 | M | 89.2 | Confident | 88.9 | Confident | 37 Ų | 37 | 40.3 Ų | 40.3 | 18% | 0.182 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.7 | -41.8 | 175.7 | -64.4 | -49.4 | -62.2 | 0 | 0 | 111.9 | M227 A230 L234 E262 A263 C268 Q269 C270 | M227-M266 HydrophobicContact SD-CG 4.14Å; A230-M266 HydrophobicContact CB-CB 4.01Å; L234-M266 HydrophobicContact CD2-CE 3.68Å; E262-M266 WeakPolarHBondContact O-CG 3.32Å; E262-M266 PolarHBondContact O-N 2.97Å; A263-M266 PolarHBondContact O-N 3.43Å; A263-M266 VanDerWaalsContact O-N 3.16Å; M266-C268 VanDerWaalsContact C-N 3.35Å; M266-C268 PolarHBondContact O-N 2.96Å; M266-Q269 WeakPolarHBondContact O-CB 3.14Å; M266-Q269 PolarHBondContact O-N 3.48Å; M266-Q269 VanDerWaalsContact O-N 3.11Å; M266-C270 PolarHBondContact O-N 3.24Å; M266-C270 PolarHBondContact O-SG 2.93Å |
| 267 | L | 89.8 | Confident | 88.8 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.5 | -38.4 | 176.8 | -69.3 | 172.4 | 0 | 0 | 0 | 112.2 | M226 A230 W233 P251 L252 A255 A263 C270 L272 | M226-L267 HydrophobicContact CG-CD1 4.43Å; M226-L267 HydrophobicContact SD-CD1 4.17Å; A230-L267 HydrophobicContact CB-CD2 3.71Å; A230-L267 HydrophobicContact CB-CG 4.08Å; W233-L267 HydrophobicContact CE3-CD2 3.58Å; W233-L267 HydrophobicContact CZ3-CD2 3.47Å; W233-L267 VanDerWaalsContact CZ3-CD2 3.47Å; P251-L267 HydrophobicContact CB-CD1 4.02Å; P251-L267 HydrophobicContact CB-CD2 4.45Å; L252-L267 HydrophobicContact CD1-CB 3.73Å; L252-L267 HydrophobicContact CD1-CD1 4.39Å; A255-L267 HydrophobicContact CB-CD1 4.1Å; A263-L267 WeakPolarHBondContact O-CB 3.41Å; A263-L267 WeakPolarHBondContact O-CG 3.48Å; A263-L267 PolarHBondContact O-N 2.86Å; L267-C270 WeakPolarHBondContact O-CB 3.39Å; L267-C270 PolarHBondContact O-N 3.36Å; L267-L272 HydrophobicContact CB-CD2 4.42Å; L267-L272 HydrophobicContact CD2-CD1 4.31Å; L267-L272 HydrophobicContact CD2-CD2 4.04Å; L267-L272 PolarHBondContact O-N 3.13Å |
| 268 | C | 88.1 | Confident | 88.8 | Confident | 15 Ų | 15 | 43.4 Ų | 43.4 | 10% | 0.101 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.7 | -40.3 | 171.2 | -67.3 | 0 | 0 | 0 | 0 | 112.1 | L264 M266 C270 G271 Q303 | L264-C268 PolarHBondContact O-N 3.47Å; L264-C268 PolarHBondContact O-SG 2.71Å; M266-C268 VanDerWaalsContact C-N 3.35Å; M266-C268 PolarHBondContact O-N 2.96Å; C268-C270 VanDerWaalsContact C-N 3.3Å; C268-C270 PolarHBondContact O-N 2.94Å; C268-G271 PolarHBondContact O-N 3.28Å; C268-G271 VanDerWaalsContact O-N 3.07Å; C268-Q303 HydrophobicContact CB-CG 4.08Å |
| 269 | Q | 87.2 | Confident | 88.8 | Confident | 122 Ų | 122 | 46.7 Ų | 46.7 | 57% | 0.57 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -66.7 | -29.2 | 175.5 | -72.6 | 167.7 | 60.6 | 0 | 0 | 113.2 | L234 K265 M266 G271 | L234-Q269 HydrophobicContact CD1-CB 4.23Å; K265-Q269 WeakPolarHBondContact O-CG 3.32Å; K265-Q269 PolarHBondContact O-N 2.89Å; K265-Q269 PolarHBondContact O-NE2 2.85Å; M266-Q269 WeakPolarHBondContact O-CB 3.14Å; M266-Q269 PolarHBondContact O-N 3.48Å; M266-Q269 VanDerWaalsContact O-N 3.11Å; Q269-G271 PolarHBondContact O-N 3.33Å |
| 270 | C | 84.4 | Confident | 88.7 | Confident | 18 Ų | 18 | 50.9 Ų | 50.9 | 12% | 0.122 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -4.1 | 172.2 | -60.3 | 0 | 0 | 0 | 0 | 113.4 | A230 W233 L234 M266 L267 C268 L272 | A230-C270 PolarHBondContact O-SG 3.31Å; A230-C270 VanDerWaalsContact O-SG 3.33Å; W233-C270 HydrophobicContact CB-CB 4.36Å; L234-C270 PolarHBondContact N-SG 3.19Å; M266-C270 PolarHBondContact O-N 3.24Å; M266-C270 PolarHBondContact O-SG 2.93Å; L267-C270 WeakPolarHBondContact O-CB 3.39Å; L267-C270 PolarHBondContact O-N 3.36Å; C268-C270 VanDerWaalsContact C-N 3.3Å; C268-C270 PolarHBondContact O-N 2.94Å; C270-L272 HydrophobicContact CB-CD1 3.72Å |
| 271 | G | 81.2 | Confident | 88.6 | Confident | 62 Ų | 62 | 49.9 Ų | 49.9 | 64% | 0.639 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 24.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | C268 Q269 | C268-G271 PolarHBondContact O-N 3.28Å; C268-G271 VanDerWaalsContact O-N 3.07Å; Q269-G271 PolarHBondContact O-N 3.33Å |
| 272 | L | 85.3 | Confident | 88.8 | Confident | 20 Ų | 20 | 50.8 Ų | 50.8 | 11% | 0.105 | 28% | 0.277 | C | S | . | . | trans | -62 | 141.1 | 170.4 | -85.4 | 74.7 | 0 | 0 | 0 | 110.3 | W233 P238 L242 L252 L267 C270 V274 | W233-L272 HydrophobicContact CE3-CD1 4.4Å; P238-L272 HydrophobicContact CB-CD1 4.47Å; P238-L272 HydrophobicContact CG-CD1 4.49Å; L242-L272 HydrophobicContact CD1-CD2 4.25Å; L242-L272 HydrophobicContact CD1-CG 4.49Å; L252-L272 HydrophobicContact CB-CD2 4.38Å; L252-L272 HydrophobicContact CD2-CB 4.44Å; L267-L272 HydrophobicContact CB-CD2 4.42Å; L267-L272 HydrophobicContact CD2-CD1 4.31Å; L267-L272 HydrophobicContact CD2-CD2 4.04Å; L267-L272 PolarHBondContact O-N 3.13Å; C270-L272 HydrophobicContact CB-CD1 3.72Å; L272-V274 PolarHBondContact O-N 2.93Å; L272-V274 VanDerWaalsContact O-N 3.14Å | ||
| 273 | D | 84.8 | Confident | 89 | Confident | 91 Ų | 91 | 44.7 Ų | 44.7 | 49% | 0.487 | 25% | 0.249 | S | C | . | . | trans | -69.6 | 109.8 | -178.8 | 179.1 | 11.9 | 0 | 0 | 0 | 111.7 | S275 A276 | D273-S275 PolarHBondContact O-N 2.71Å; D273-S275 WeakPolarHBondContact OD1-CA 3.18Å; D273-S275 WeakPolarHBondContact OD1-CB 3.31Å; D273-S275 PolarHBondContact OD1-N 2.64Å; D273-S275 PolarHBondContact OD1-OG 2.96Å; D273-S275 PolarHBondContact OD2-OG 2.92Å; D273-A276 HydrophobicContact CB-CB 4.13Å; D273-A276 VanDerWaalsContact O-CB 3.29Å; D273-A276 WeakPolarHBondContact O-CB 3.26Å; D273-A276 PolarHBondContact O-N 3.34Å; D273-A276 PolarHBondContact OD1-N 2.91Å; D273-A276 PolarHBondContact OD2-N 3.02Å | ||
| 274 | V | 85.7 | Confident | 89.1 | Confident | 22 Ų | 22 | 44.7 Ų | 44.7 | 13% | 0.133 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -13.8 | 178.2 | -159.9 | 0 | 0 | 0 | 0 | 112.4 | L252 L272 L300 Q303 C305 | L252-V274 HydrophobicContact CD2-CB 4.35Å; L252-V274 HydrophobicContact CD2-CG1 4.38Å; L252-V274 HydrophobicContact CD2-CG2 4.28Å; L272-V274 PolarHBondContact O-N 2.93Å; L272-V274 VanDerWaalsContact O-N 3.14Å; V274-L300 HydrophobicContact CG1-CD2 3.5Å; V274-L300 VanDerWaalsContact CG1-CD2 3.5Å; V274-Q303 HydrophobicContact CG1-CB 4.45Å; V274-Q303 HydrophobicContact CG2-CB 4.05Å; V274-C305 HydrophobicContact CB-CB 4.47Å; V274-C305 HydrophobicContact CG1-CB 3.72Å |
| 275 | S | 86.1 | Confident | 89.2 | Confident | 68 Ų | 68 | 44.8 Ų | 44.8 | 48% | 0.476 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 0.4 | 174.9 | 70.5 | 0 | 0 | 0 | 0 | 114.4 | D273 T277 | D273-S275 PolarHBondContact O-N 2.71Å; D273-S275 WeakPolarHBondContact OD1-CA 3.18Å; D273-S275 WeakPolarHBondContact OD1-CB 3.31Å; D273-S275 PolarHBondContact OD1-N 2.64Å; D273-S275 PolarHBondContact OD1-OG 2.96Å; D273-S275 PolarHBondContact OD2-OG 2.92Å; S275-T277 PolarHBondContact O-N 3.08Å |
| 276 | A | 89.8 | Confident | 89.4 | Confident | 14 Ų | 14 | 40.5 Ų | 40.5 | 12% | 0.116 | 23% | 0.231 | C | C | . | . | trans | -58.6 | 136.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | T250 H253 D273 P284 | T250-A276 HydrophobicContact CG2-CB 4.35Å; H253-A276 PolarHBondContact CE1-O 3.18Å; H253-A276 PolarHBondContact NE2-O 3.35Å; D273-A276 HydrophobicContact CB-CB 4.13Å; D273-A276 VanDerWaalsContact O-CB 3.29Å; D273-A276 WeakPolarHBondContact O-CB 3.26Å; D273-A276 PolarHBondContact O-N 3.34Å; D273-A276 PolarHBondContact OD1-N 2.91Å; D273-A276 PolarHBondContact OD2-N 3.02Å; A276-P284 WeakPolarHBondContact O-CD 3.38Å | ||
| 277 | T | 91.7 | Very high | 89.6 | Confident | 61 Ų | 61 | 39.1 Ų | 39.1 | 37% | 0.374 | 23% | 0.225 | S | C | . | . | trans | -105.3 | 150.9 | 175.7 | 62.3 | 0 | 0 | 0 | 0 | 112.6 | R243 S275 W282 T283 | R243-T277 VanDerWaalsContact CZ-O 3.24Å; R243-T277 PolarHBondContact NH1-O 3.13Å; R243-T277 PolarHBondContact NH2-O 2.88Å; S275-T277 PolarHBondContact O-N 3.08Å; T277-W282 CarbonylContact C-O 3.59Å; T277-W282 WeakPolarHBondContact CA-O 3.43Å; T277-W282 WeakPolarHBondContact CB-O 3.46Å; T277-T283 HydrophobicContact CG2-CG2 3.86Å | ||
| 278 | D | 92.2 | Very high | 89.8 | Confident | 25 Ų | 25 | 39.1 Ų | 39.1 | 13% | 0.134 | 23% | 0.225 | C | C | . | . | trans | -80.2 | -163.2 | 168 | 69 | 11.3 | 0 | 0 | 0 | 112.9 | A249 D280 G281 W282 | A249-D278 HydrophobicContact CB-CB 4.34Å; D278-D280 WeakPolarHBondContact OD1-CA 3.38Å; D278-D280 PolarHBondContact OD1-N 3.45Å; D278-G281 PolarHBondContact O-N 3.41Å; D278-G281 PolarHBondContact OD1-N 3.39Å; D278-W282 PolarHBondContact N-O 3.02Å; D278-W282 PolarHBondContact OD1-N 3.36Å | ||
| 279 | F | 90.2 | Very high | 90.1 | Very high | 120 Ų | 120 | 38.4 Ų | 38.4 | 53% | 0.526 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -74.6 | -24.7 | 178.1 | -64.9 | -26.2 | 0 | 0 | 0 | 114.3 | R246 T247 G248 G281 N312 | R246-F279 WeakPolarHBondContact O-CD2 3.31Å; T247-F279 WeakPolarHBondContact O-CB 3.29Å; T247-F279 WeakPolarHBondContact O-CD2 3.35Å; T247-F279 WeakPolarHBondContact O-CG 3.44Å; T247-F279 PolarHBondContact O-N 3.25Å; T247-F279 VanDerWaalsContact O-N 3.07Å; G248-F279 VanDerWaalsContact N-CE2 3.33Å; F279-G281 VanDerWaalsContact C-N 3.28Å; F279-N312 PolarHBondContact O-ND2 2.9Å |
| 280 | D | 88.7 | Confident | 90.3 | Very high | 105 Ų | 105 | 36.2 Ų | 36.2 | 56% | 0.561 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -87 | -1.5 | 174.5 | -74.2 | -61.1 | 0 | 0 | 0 | 112.6 | D278 W282 N312 | D278-D280 WeakPolarHBondContact OD1-CA 3.38Å; D278-D280 PolarHBondContact OD1-N 3.45Å; D280-W282 VanDerWaalsContact C-N 3.28Å; D280-N312 VanDerWaalsContact O-CB 3.3Å; D280-N312 WeakPolarHBondContact O-CB 3.26Å; D280-N312 PolarHBondContact O-N 2.83Å; D280-N312 PolarHBondContact O-ND2 3.47Å |
| 281 | G | 91.6 | Very high | 90.6 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 5% | 0.052 | 23% | 0.229 | C | C | . | . | trans | 81 | 8.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | D278 F279 S311 | D278-G281 PolarHBondContact O-N 3.41Å; D278-G281 PolarHBondContact OD1-N 3.39Å; F279-G281 VanDerWaalsContact C-N 3.28Å; G281-S311 WeakPolarHBondContact O-CA 3.42Å | ||
| 282 | W | 94.1 | Very high | 91.2 | Very high | 58 Ų | 58 | 40.4 Ų | 40.4 | 22% | 0.22 | 21% | 0.214 | C | C | . | . | trans | -70.5 | 149.8 | 175.2 | -72.1 | 39.7 | 0 | 0 | 0 | 109.3 | H253 T277 D278 D280 H286 H290 V320 | H253-W282 PolarHBondContact NE2-O 3.3Å; T277-W282 CarbonylContact C-O 3.59Å; T277-W282 WeakPolarHBondContact CA-O 3.43Å; T277-W282 WeakPolarHBondContact CB-O 3.46Å; D278-W282 PolarHBondContact N-O 3.02Å; D278-W282 PolarHBondContact OD1-N 3.36Å; D280-W282 VanDerWaalsContact C-N 3.28Å; W282-H286 HydrophobicContact CB-CB 3.89Å; W282-H286 HydrophobicContact CD2-CB 3.97Å; W282-H286 HydrophobicContact CE3-CB 3.86Å; W282-H286 HydrophobicContact CG-CB 4.01Å; W282-H290 HydrophobicContact CH2-CB 3.97Å; W282-H290 AromaticContact CH2-CD2 3.62Å; W282-H290 AromaticContact CH2-CG 3.67Å; W282-H290 HydrophobicContact CZ3-CB 3.65Å; W282-H290 AromaticContact CZ3-CG 3.77Å; W282-V320 HydrophobicContact CH2-CG1 4.08Å; W282-V320 HydrophobicContact CZ2-CG1 4.42Å | ||
| 283 | T | 94.3 | Very high | 91.5 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | trans | -105.5 | 168.7 | 170.4 | 59.6 | 0 | 0 | 0 | 0 | 109.5 | T277 L285 H286 A287 A309 | T277-T283 HydrophobicContact CG2-CG2 3.86Å; T283-L285 PolarHBondContact O-N 3.24Å; T283-H286 PolarHBondContact N-ND1 3.48Å; T283-H286 WeakPolarHBondContact O-CB 3.13Å; T283-H286 PolarHBondContact O-N 2.81Å; T283-H286 PolarHBondContact OG1-ND1 2.64Å; T283-A287 PolarHBondContact O-N 3.47Å; T283-A287 VanDerWaalsContact O-N 3.14Å; T283-A309 HydrophobicContact CG2-CB 3.96Å | ||
| 284 | P | 94.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -53.5 | -29.7 | 172.6 | -27.3 | 35.5 | 0 | 0 | 0 | 113.4 | L252 A256 A276 A287 A288 L300 | L252-P284 HydrophobicContact CB-CG 4.24Å; L252-P284 HydrophobicContact CD2-CB 4.49Å; L252-P284 HydrophobicContact CD2-CG 3.96Å; L252-P284 HydrophobicContact CG-CB 4.26Å; L252-P284 HydrophobicContact CG-CG 4.04Å; A256-P284 HydrophobicContact CB-CB 4Å; A256-P284 VanDerWaalsContact CB-O 3.28Å; A256-P284 WeakPolarHBondContact CB-O 3.41Å; A276-P284 WeakPolarHBondContact O-CD 3.38Å; P284-A287 PolarHBondContact O-N 2.85Å; P284-A288 PolarHBondContact O-N 3.39Å; P284-L300 HydrophobicContact CB-CD1 4.12Å; P284-L300 HydrophobicContact CB-CD2 3.99Å |
| 285 | L | 94.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71.4 | -36.8 | 175.3 | -173.7 | 67.2 | 0 | 0 | 0 | 112.9 | T283 A287 A289 C297 L300 M307 P317 L329 | T283-L285 PolarHBondContact O-N 3.24Å; L285-A287 VanDerWaalsContact C-N 3.3Å; L285-A289 WeakPolarHBondContact O-CB 3.43Å; L285-A289 PolarHBondContact O-N 3.14Å; L285-C297 HydrophobicContact CD1-CB 4.22Å; L285-L300 HydrophobicContact CB-CD1 4.39Å; L285-L300 HydrophobicContact CD1-CB 4.3Å; L285-L300 HydrophobicContact CD1-CD1 4.33Å; L285-M307 HydrophobicContact CD2-CE 4.08Å; L285-M307 HydrophobicContact CD2-SD 3.55Å; L285-M307 VanDerWaalsContact CD2-SD 3.55Å; L285-P317 HydrophobicContact CB-CG 4.41Å; L285-P317 HydrophobicContact CD2-CB 4.15Å; L285-P317 HydrophobicContact CD2-CG 3.83Å; L285-P317 HydrophobicContact CG-CB 4.02Å; L285-P317 HydrophobicContact CG-CG 3.99Å; L285-L329 HydrophobicContact CD1-CD2 3.88Å; L285-L329 HydrophobicContact CG-CD2 4.48Å |
| 286 | H | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.4 | -41.8 | 171.5 | -71.9 | 84.7 | 0 | 0 | 0 | 110.5 | W282 T283 A289 H290 Q315 | W282-H286 HydrophobicContact CB-CB 3.89Å; W282-H286 HydrophobicContact CD2-CB 3.97Å; W282-H286 HydrophobicContact CE3-CB 3.86Å; W282-H286 HydrophobicContact CG-CB 4.01Å; T283-H286 PolarHBondContact N-ND1 3.48Å; T283-H286 WeakPolarHBondContact O-CB 3.13Å; T283-H286 PolarHBondContact O-N 2.81Å; T283-H286 PolarHBondContact OG1-ND1 2.64Å; H286-A289 PolarHBondContact O-N 3.01Å; H286-H290 WeakPolarHBondContact O-CB 3.45Å; H286-H290 PolarHBondContact O-N 3.28Å; H286-Q315 PolarHBondContact NE2-O 2.96Å |
| 287 | A | 93.1 | Very high | 92.7 | Very high | 8 Ų | 8 | 40.6 Ų | 40.6 | 7% | 0.066 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.6 | -48.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A257 T283 P284 L285 A289 H290 W291 | A257-A287 HydrophobicContact CB-CB 4.24Å; T283-A287 PolarHBondContact O-N 3.47Å; T283-A287 VanDerWaalsContact O-N 3.14Å; P284-A287 PolarHBondContact O-N 2.85Å; L285-A287 VanDerWaalsContact C-N 3.3Å; A287-A289 VanDerWaalsContact C-N 3.31Å; A287-A289 PolarHBondContact O-N 3.31Å; A287-H290 PolarHBondContact O-N 2.92Å; A287-W291 PolarHBondContact O-N 3.14Å |
| 288 | A | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.4 | -38.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A256 P284 G292 Q293 A296 C297 L300 | A256-A288 HydrophobicContact CB-CB 4.16Å; A256-A288 WeakPolarHBondContact O-CA 3.39Å; P284-A288 PolarHBondContact O-N 3.39Å; A288-G292 PolarHBondContact O-N 3.11Å; A288-Q293 HydrophobicContact CB-CB 4.22Å; A288-Q293 PolarHBondContact O-N 3.45Å; A288-A296 HydrophobicContact CB-CB 3.87Å; A288-C297 VanDerWaalsContact CB-SG 3.56Å; A288-L300 HydrophobicContact CB-CD1 4Å |
| 289 | A | 94 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.7 | -47 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L285 H286 A287 W291 G292 P317 A321 L329 | L285-A289 WeakPolarHBondContact O-CB 3.43Å; L285-A289 PolarHBondContact O-N 3.14Å; H286-A289 PolarHBondContact O-N 3.01Å; A287-A289 VanDerWaalsContact C-N 3.31Å; A287-A289 PolarHBondContact O-N 3.31Å; A289-W291 PolarHBondContact O-N 3.25Å; A289-G292 PolarHBondContact O-N 3.05Å; A289-P317 HydrophobicContact CB-CB 4.14Å; A289-A321 HydrophobicContact CB-CB 4.15Å; A289-L329 HydrophobicContact CB-CD1 4.03Å |
| 290 | H | 92.8 | Very high | 92.8 | Very high | 75 Ų | 75 | 35 Ų | 35 | 35% | 0.347 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.3 | -41.3 | 179.1 | -179.7 | -97.5 | 0 | 0 | 0 | 113 | W282 H286 A287 G292 V320 | W282-H290 HydrophobicContact CH2-CB 3.97Å; W282-H290 AromaticContact CH2-CD2 3.62Å; W282-H290 AromaticContact CH2-CG 3.67Å; W282-H290 HydrophobicContact CZ3-CB 3.65Å; W282-H290 AromaticContact CZ3-CG 3.77Å; H286-H290 WeakPolarHBondContact O-CB 3.45Å; H286-H290 PolarHBondContact O-N 3.28Å; A287-H290 PolarHBondContact O-N 2.92Å; H290-G292 VanDerWaalsContact C-N 3.35Å; H290-V320 HydrophobicContact CB-CG1 3.73Å |
| 291 | W | 90.7 | Very high | 92.8 | Very high | 137 Ų | 137 | 30.2 Ų | 30.2 | 52% | 0.519 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 18.3 | -175.2 | -63.7 | 108.9 | 0 | 0 | 0 | 113.6 | A257 A287 A289 Q293 | A257-W291 HydrophobicContact CB-CG 4.39Å; A257-W291 WeakPolarHBondContact O-CB 3.23Å; A287-W291 PolarHBondContact O-N 3.14Å; A289-W291 PolarHBondContact O-N 3.25Å; W291-Q293 VanDerWaalsContact C-N 3.28Å; W291-Q293 HydrophobicContact CB-CG 4.22Å; W291-Q293 PolarHBondContact O-N 3.14Å |
| 292 | G | 92.4 | Very high | 92.6 | Very high | 32 Ų | 32 | 36.8 Ų | 36.8 | 33% | 0.33 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 10.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | A288 A289 H290 E294 | A288-G292 PolarHBondContact O-N 3.11Å; A289-G292 PolarHBondContact O-N 3.05Å; H290-G292 VanDerWaalsContact C-N 3.35Å; G292-E294 PolarHBondContact O-N 2.93Å |
| 293 | Q | 93.1 | Very high | 92.2 | Very high | 57 Ų | 57 | 38.5 Ų | 38.5 | 27% | 0.266 | 18% | 0.182 | S | C | . | . | trans | -82.4 | 76.1 | -165.9 | -58.5 | -65.9 | -9 | 0 | 0 | 112.7 | A256 A257 A288 W291 E295 A296 C297 | A256-Q293 WeakPolarHBondContact O-CG 3.31Å; A257-Q293 VanDerWaalsContact O-CG 3.29Å; A257-Q293 WeakPolarHBondContact O-CG 3.39Å; A257-Q293 PolarHBondContact O-NE2 3.32Å; A257-Q293 VanDerWaalsContact O-NE2 3.12Å; A288-Q293 HydrophobicContact CB-CB 4.22Å; A288-Q293 PolarHBondContact O-N 3.45Å; W291-Q293 VanDerWaalsContact C-N 3.28Å; W291-Q293 HydrophobicContact CB-CG 4.22Å; W291-Q293 PolarHBondContact O-N 3.14Å; Q293-E295 PolarHBondContact O-N 3.15Å; Q293-A296 HydrophobicContact CB-CB 3.78Å; Q293-A296 PolarHBondContact O-N 3.42Å; Q293-A296 VanDerWaalsContact O-N 3.12Å; Q293-C297 PolarHBondContact O-N 2.93Å; Q293-C297 PolarHBondContact O-SG 3.11Å; Q293-C297 VanDerWaalsContact O-SG 3.32Å | ||
| 294 | E | 93 | Very high | 91.7 | Very high | 72 Ų | 72 | 42.7 Ų | 42.7 | 34% | 0.336 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -48.6 | -53.4 | -178.8 | -77.3 | -164.8 | -141.1 | 0 | 0 | 114 | G292 A296 C297 R298 V325 L328 | G292-E294 PolarHBondContact O-N 2.93Å; E294-A296 VanDerWaalsContact C-N 3.29Å; E294-A296 PolarHBondContact O-N 3.17Å; E294-C297 WeakPolarHBondContact O-CB 3.42Å; E294-C297 PolarHBondContact O-N 2.93Å; E294-R298 WeakPolarHBondContact O-CG 3.36Å; E294-R298 PolarHBondContact O-N 3.48Å; E294-R298 IonicContact OE2-CZ 2.64Å; E294-R298 IonicContact OE2-NH2 2.95Å; E294-R298 PolarHBondContact OE2-NH2 3.18Å; E294-V325 HydrophobicContact CG-CG2 4.09Å; E294-L328 HydrophobicContact CB-CD2 3.52Å; E294-L328 HydrophobicContact CG-CD2 3.59Å |
| 295 | E | 92 | Very high | 91.4 | Very high | 90 Ų | 90 | 43 Ų | 43 | 42% | 0.421 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.8 | -29.8 | -177.1 | -72.2 | -65.2 | 139.5 | 0 | 0 | 112.2 | M261 Q293 R298 V299 | M261-E295 HydrophobicContact CE-CB 3.5Å; M261-E295 VanDerWaalsContact CE-CB 3.5Å; M261-E295 HydrophobicContact SD-CB 3.83Å; Q293-E295 PolarHBondContact O-N 3.15Å; E295-R298 PolarHBondContact O-N 2.97Å; E295-R298 WeakPolarHBondContact OE1-CD 3.42Å; E295-R298 IonicContact OE1-CZ 2.96Å; E295-R298 IonicContact OE1-NE 2.83Å; E295-R298 PolarHBondContact OE1-NE 3.06Å; E295-R298 IonicContact OE1-NH1 2.77Å; E295-R298 PolarHBondContact OE1-NH1 3.31Å; E295-V299 WeakPolarHBondContact O-CG2 3.23Å; E295-V299 PolarHBondContact O-N 3.27Å |
| 296 | A | 94 | Very high | 91 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.1 | -41.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | M261 L264 A288 Q293 E294 R298 V299 L300 | M261-A296 HydrophobicContact CE-CB 4.12Å; L264-A296 HydrophobicContact CD2-CB 3.72Å; A288-A296 HydrophobicContact CB-CB 3.87Å; Q293-A296 HydrophobicContact CB-CB 3.78Å; Q293-A296 PolarHBondContact O-N 3.42Å; Q293-A296 VanDerWaalsContact O-N 3.12Å; E294-A296 VanDerWaalsContact C-N 3.29Å; E294-A296 PolarHBondContact O-N 3.17Å; A296-R298 VanDerWaalsContact C-N 3.3Å; A296-R298 PolarHBondContact O-N 3.31Å; A296-V299 PolarHBondContact O-N 2.98Å; A296-L300 WeakPolarHBondContact O-CB 3.4Å; A296-L300 WeakPolarHBondContact O-CD1 3.12Å; A296-L300 WeakPolarHBondContact O-CG 3.48Å; A296-L300 PolarHBondContact O-N 3.08Å |
| 297 | C | 92.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.1 | -41.4 | 171.8 | -63.7 | 0 | 0 | 0 | 0 | 111.7 | L285 A288 Q293 E294 A301 L329 L332 | L285-C297 HydrophobicContact CD1-CB 4.22Å; A288-C297 VanDerWaalsContact CB-SG 3.56Å; Q293-C297 PolarHBondContact O-N 2.93Å; Q293-C297 PolarHBondContact O-SG 3.11Å; Q293-C297 VanDerWaalsContact O-SG 3.32Å; E294-C297 WeakPolarHBondContact O-CB 3.42Å; E294-C297 PolarHBondContact O-N 2.93Å; C297-A301 WeakPolarHBondContact O-CB 3.28Å; C297-A301 PolarHBondContact O-N 3.35Å; C297-L329 HydrophobicContact CB-CD2 4.04Å; C297-L332 HydrophobicContact CB-CD1 4.24Å |
| 298 | R | 91.8 | Very high | 90.3 | Very high | 83 Ų | 83 | 53.4 Ų | 53.4 | 31% | 0.313 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.8 | -52 | 175.9 | -65.9 | 168.8 | -165.4 | -164.8 | 0.8 | 111.4 | E294 E295 A296 L300 A301 E302 L328 L332 | E294-R298 WeakPolarHBondContact O-CG 3.36Å; E294-R298 PolarHBondContact O-N 3.48Å; E294-R298 IonicContact OE2-CZ 2.64Å; E294-R298 IonicContact OE2-NH2 2.95Å; E294-R298 PolarHBondContact OE2-NH2 3.18Å; E295-R298 PolarHBondContact O-N 2.97Å; E295-R298 WeakPolarHBondContact OE1-CD 3.42Å; E295-R298 IonicContact OE1-CZ 2.96Å; E295-R298 IonicContact OE1-NE 2.83Å; E295-R298 PolarHBondContact OE1-NE 3.06Å; E295-R298 IonicContact OE1-NH1 2.77Å; E295-R298 PolarHBondContact OE1-NH1 3.31Å; A296-R298 VanDerWaalsContact C-N 3.3Å; A296-R298 PolarHBondContact O-N 3.31Å; R298-L300 PolarHBondContact O-N 3.5Å; R298-A301 PolarHBondContact O-N 3.42Å; R298-E302 WeakPolarHBondContact O-CG 3.44Å; R298-E302 PolarHBondContact O-N 3.27Å; R298-L328 HydrophobicContact CG-CD1 4.27Å; R298-L328 HydrophobicContact CG-CD2 4.21Å; R298-L332 HydrophobicContact CG-CD1 4.06Å; R298-L332 HydrophobicContact CG-CD2 4.24Å |
| 299 | V | 92.1 | Very high | 90.1 | Very high | 6 Ų | 6 | 54 Ų | 54 | 4% | 0.036 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 179 | 172.4 | 0 | 0 | 0 | 0 | 112.1 | M261 L264 K265 E295 A296 E302 Q303 | M261-V299 HydrophobicContact SD-CG2 3.8Å; L264-V299 HydrophobicContact CD2-CB 3.94Å; L264-V299 HydrophobicContact CD2-CG1 3.91Å; L264-V299 HydrophobicContact CG-CG1 4.17Å; K265-V299 HydrophobicContact CD-CG2 4.39Å; K265-V299 HydrophobicContact CG-CG1 3.93Å; K265-V299 HydrophobicContact CG-CG2 4.14Å; E295-V299 WeakPolarHBondContact O-CG2 3.23Å; E295-V299 PolarHBondContact O-N 3.27Å; A296-V299 PolarHBondContact O-N 2.98Å; V299-E302 PolarHBondContact O-N 2.87Å; V299-Q303 PolarHBondContact O-N 3.42Å |
| 300 | L | 91.3 | Very high | 90 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 177.6 | -67.7 | 167.8 | 0 | 0 | 0 | 111.5 | A256 L264 V274 P284 L285 A288 A296 R298 Q303 C305 | A256-L300 HydrophobicContact CB-CD1 4.06Å; L264-L300 HydrophobicContact CD1-CD2 4.29Å; V274-L300 HydrophobicContact CG1-CD2 3.5Å; V274-L300 VanDerWaalsContact CG1-CD2 3.5Å; P284-L300 HydrophobicContact CB-CD1 4.12Å; P284-L300 HydrophobicContact CB-CD2 3.99Å; L285-L300 HydrophobicContact CB-CD1 4.39Å; L285-L300 HydrophobicContact CD1-CB 4.3Å; L285-L300 HydrophobicContact CD1-CD1 4.33Å; A288-L300 HydrophobicContact CB-CD1 4Å; A296-L300 WeakPolarHBondContact O-CB 3.4Å; A296-L300 WeakPolarHBondContact O-CD1 3.12Å; A296-L300 WeakPolarHBondContact O-CG 3.48Å; A296-L300 PolarHBondContact O-N 3.08Å; R298-L300 PolarHBondContact O-N 3.5Å; L300-Q303 PolarHBondContact O-N 2.97Å; L300-C305 WeakPolarHBondContact O-CB 3.46Å; L300-C305 PolarHBondContact O-N 3.26Å; L300-C305 PolarHBondContact O-SG 2.97Å |
| 301 | A | 88.8 | Confident | 90 | Very high | 4 Ų | 4 | 58.9 Ų | 58.9 | 3% | 0.033 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68 | -33.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | C297 R298 Q303 L304 M307 L332 Q336 | C297-A301 WeakPolarHBondContact O-CB 3.28Å; C297-A301 PolarHBondContact O-N 3.35Å; R298-A301 PolarHBondContact O-N 3.42Å; A301-Q303 VanDerWaalsContact C-N 3.31Å; A301-L304 PolarHBondContact O-N 3.12Å; A301-M307 HydrophobicContact CB-SD 4.2Å; A301-L332 HydrophobicContact CB-CB 4Å; A301-L332 HydrophobicContact CB-CD1 3.97Å; A301-L332 HydrophobicContact CB-CD2 4.02Å; A301-L332 HydrophobicContact CB-CG 4.22Å; A301-Q336 PolarHBondContact O-NE2 3.43Å |
| 302 | E | 87.3 | Confident | 90 | Very high | 142 Ų | 142 | 58.4 Ų | 58.4 | 66% | 0.664 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62 | -36.4 | 170.8 | -75 | 179.1 | 171.6 | 0 | 0 | 112.2 | R298 V299 L304 | R298-E302 WeakPolarHBondContact O-CG 3.44Å; R298-E302 PolarHBondContact O-N 3.27Å; V299-E302 PolarHBondContact O-N 2.87Å; E302-L304 PolarHBondContact O-N 3.44Å; E302-L304 VanDerWaalsContact O-N 3.11Å |
| 303 | Q | 86.6 | Confident | 89.9 | Confident | 95 Ų | 95 | 59.9 Ų | 59.9 | 44% | 0.444 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 11.9 | 172.3 | -56.2 | -48.2 | -57.5 | 0 | 0 | 113.7 | C268 V274 V299 L300 A301 C305 | C268-Q303 HydrophobicContact CB-CG 4.08Å; V274-Q303 HydrophobicContact CG1-CB 4.45Å; V274-Q303 HydrophobicContact CG2-CB 4.05Å; V299-Q303 PolarHBondContact O-N 3.42Å; L300-Q303 PolarHBondContact O-N 2.97Å; A301-Q303 VanDerWaalsContact C-N 3.31Å; Q303-C305 VanDerWaalsContact C-N 3.26Å; Q303-C305 PolarHBondContact O-N 3.38Å |
| 304 | L | 84.2 | Confident | 89.8 | Confident | 94 Ų | 94 | 58.5 Ų | 58.5 | 49% | 0.492 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 33.5 | 177.5 | -57 | 177.7 | 0 | 0 | 0 | 114.1 | A301 E302 Q336 | A301-L304 PolarHBondContact O-N 3.12Å; E302-L304 PolarHBondContact O-N 3.44Å; E302-L304 VanDerWaalsContact O-N 3.11Å; L304-Q336 HydrophobicContact CD2-CG 4.25Å |
| 305 | C | 86.3 | Confident | 89.8 | Confident | 7 Ų | 7 | 59 Ų | 59 | 5% | 0.047 | 30% | 0.304 | C | S | . | . | trans | -56.9 | 157.8 | 175.7 | 71.2 | 0 | 0 | 0 | 0 | 112.5 | V274 L300 Q303 M307 Q336 | V274-C305 HydrophobicContact CB-CB 4.47Å; V274-C305 HydrophobicContact CG1-CB 3.72Å; L300-C305 WeakPolarHBondContact O-CB 3.46Å; L300-C305 PolarHBondContact O-N 3.26Å; L300-C305 PolarHBondContact O-SG 2.97Å; Q303-C305 VanDerWaalsContact C-N 3.26Å; Q303-C305 PolarHBondContact O-N 3.38Å; C305-M307 PolarHBondContact O-N 3.42Å; C305-M307 VanDerWaalsContact O-N 3.11Å; C305-Q336 PolarHBondContact O-NE2 3.11Å | ||
| 306 | N | 86.8 | Confident | 89.8 | Confident | 89 Ų | 89 | 55.6 Ų | 55.6 | 48% | 0.476 | 29% | 0.289 | S | S | . | . | trans | -78.4 | 97.1 | 179.6 | -175.8 | 18.3 | 0 | 0 | 0 | 111.3 | E308 A309 | N306-E308 PolarHBondContact O-N 2.93Å; N306-E308 PolarHBondContact OD1-N 2.87Å; N306-A309 HydrophobicContact CB-CB 4.35Å; N306-A309 PolarHBondContact ND2-N 3.12Å; N306-A309 VanDerWaalsContact O-CB 3.3Å; N306-A309 WeakPolarHBondContact O-CB 3.2Å; N306-A309 PolarHBondContact O-N 3.22Å; N306-A309 VanDerWaalsContact O-N 3.16Å | ||
| 307 | M | 85.1 | Confident | 89.7 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -25.5 | 174 | -49.2 | -63.7 | -69.6 | 0 | 0 | 112.8 | L285 A301 C305 P317 F318 L329 L332 L333 | L285-M307 HydrophobicContact CD2-CE 4.08Å; L285-M307 HydrophobicContact CD2-SD 3.55Å; L285-M307 VanDerWaalsContact CD2-SD 3.55Å; A301-M307 HydrophobicContact CB-SD 4.2Å; C305-M307 PolarHBondContact O-N 3.42Å; C305-M307 VanDerWaalsContact O-N 3.11Å; M307-P317 WeakPolarHBondContact O-CD 3.29Å; M307-F318 HydrophobicContact CB-CE2 4.1Å; M307-F318 HydrophobicContact CB-CZ 4.48Å; M307-F318 HydrophobicContact CE-CZ 4.36Å; M307-F318 WeakPolarHBondContact O-CE2 3.43Å; M307-L329 HydrophobicContact CE-CB 4.29Å; M307-L329 HydrophobicContact CE-CD2 3.6Å; M307-L332 HydrophobicContact CE-CB 4.18Å; M307-L333 HydrophobicContact CB-CD1 4.05Å; M307-L333 HydrophobicContact CG-CD1 4.05Å |
| 308 | E | 87.7 | Confident | 89.7 | Confident | 137 Ų | 137 | 57.9 Ų | 57.9 | 64% | 0.64 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 16.6 | 179.9 | -60.9 | 177.1 | -157.3 | 0 | 0 | 112.7 | N306 | N306-E308 PolarHBondContact O-N 2.93Å; N306-E308 PolarHBondContact OD1-N 2.87Å |
| 309 | A | 90 | Very high | 89.7 | Confident | 11 Ų | 11 | 58.8 Ų | 58.8 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | trans | -58.3 | 150.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | T283 N306 T316 P317 | T283-A309 HydrophobicContact CG2-CB 3.96Å; N306-A309 HydrophobicContact CB-CB 4.35Å; N306-A309 PolarHBondContact ND2-N 3.12Å; N306-A309 VanDerWaalsContact O-CB 3.3Å; N306-A309 WeakPolarHBondContact O-CB 3.2Å; N306-A309 PolarHBondContact O-N 3.22Å; N306-A309 VanDerWaalsContact O-N 3.16Å; A309-T316 WeakPolarHBondContact O-CA 3.48Å; A309-P317 WeakPolarHBondContact O-CD 3.17Å | ||
| 310 | R | 92.3 | Very high | 89.6 | Confident | 170 Ų | 170 | 59.7 Ų | 59.7 | 64% | 0.642 | 32% | 0.316 | S | S | * | . | trans | -127 | 133.9 | 178.6 | -71 | -179.3 | -177.9 | -101 | 1.1 | 111.9 | G314 Q315 T316 | R310-G314 PolarHBondContact NH1-O 3.44Å; R310-Q315 CarbonylContact C-O 3.31Å; R310-Q315 WeakPolarHBondContact CA-O 3.4Å; R310-T316 HydrophobicContact CG-CG2 3.98Å | ||
| 311 | S | 92.3 | Very high | 89.6 | Confident | 9 Ų | 9 | 60.7 Ų | 60.7 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | trans | -67.7 | 173.4 | 171.8 | 75 | 0 | 0 | 0 | 0 | 112.4 | G281 G313 G314 Q315 | G281-S311 WeakPolarHBondContact O-CA 3.42Å; S311-G313 PolarHBondContact O-N 2.95Å; S311-G313 PolarHBondContact OG-N 3.31Å; S311-G314 WeakPolarHBondContact O-CA 3.35Å; S311-G314 PolarHBondContact O-N 2.77Å; S311-Q315 PolarHBondContact N-O 2.97Å; S311-Q315 PolarHBondContact OG-N 3.46Å | ||
| 312 | N | 91.1 | Very high | 89.6 | Confident | 126 Ų | 126 | 65.6 Ų | 65.6 | 67% | 0.674 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -22.7 | 171.5 | -69.9 | -26.4 | 0 | 0 | 0 | 112.8 | F279 D280 G314 | F279-N312 PolarHBondContact O-ND2 2.9Å; D280-N312 VanDerWaalsContact O-CB 3.3Å; D280-N312 WeakPolarHBondContact O-CB 3.26Å; D280-N312 PolarHBondContact O-N 2.83Å; D280-N312 PolarHBondContact O-ND2 3.47Å; N312-G314 VanDerWaalsContact C-N 3.3Å |
| 313 | G | 89 | Confident | 89.6 | Confident | 63 Ų | 63 | 67.3 Ų | 67.3 | 65% | 0.649 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -6.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S311 Q315 | S311-G313 PolarHBondContact O-N 2.95Å; S311-G313 PolarHBondContact OG-N 3.31Å; G313-Q315 VanDerWaalsContact C-N 3.29Å; G313-Q315 PolarHBondContact O-N 2.91Å |
| 314 | G | 91.6 | Very high | 89.7 | Confident | 29 Ų | 29 | 66.2 Ų | 66.2 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | S | Bend | trans | 81.9 | -0.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R310 S311 N312 | R310-G314 PolarHBondContact NH1-O 3.44Å; S311-G314 WeakPolarHBondContact O-CA 3.35Å; S311-G314 PolarHBondContact O-N 2.77Å; N312-G314 VanDerWaalsContact C-N 3.3Å |
| 315 | Q | 92.6 | Very high | 90 | Very high | 83 Ų | 83 | 61.8 Ų | 61.8 | 39% | 0.388 | 34% | 0.337 | S | S | . | . | trans | -70 | 149.3 | 175.2 | -63.9 | 164.8 | -77.1 | 0 | 0 | 111 | H286 R310 S311 G313 D319 V320 | H286-Q315 PolarHBondContact NE2-O 2.96Å; R310-Q315 CarbonylContact C-O 3.31Å; R310-Q315 WeakPolarHBondContact CA-O 3.4Å; S311-Q315 PolarHBondContact N-O 2.97Å; S311-Q315 PolarHBondContact OG-N 3.46Å; G313-Q315 VanDerWaalsContact C-N 3.29Å; G313-Q315 PolarHBondContact O-N 2.91Å; Q315-D319 HydrophobicContact CB-CB 4.12Å; Q315-D319 HydrophobicContact CG-CB 4.44Å; Q315-V320 HydrophobicContact CB-CG2 4.03Å | ||
| 316 | T | 93.1 | Very high | 90.2 | Very high | 17 Ų | 17 | 62.6 Ų | 62.6 | 10% | 0.104 | 34% | 0.344 | C | S | . | . | trans | -100.4 | 169.3 | 169.2 | 68.7 | 0 | 0 | 0 | 0 | 110.8 | A309 R310 F318 D319 V320 | A309-T316 WeakPolarHBondContact O-CA 3.48Å; R310-T316 HydrophobicContact CG-CG2 3.98Å; T316-F318 PolarHBondContact O-N 2.82Å; T316-F318 VanDerWaalsContact O-N 3.16Å; T316-F318 PolarHBondContact OG1-N 3.3Å; T316-D319 WeakPolarHBondContact CB-OD2 3.44Å; T316-D319 PolarHBondContact N-OD2 2.96Å; T316-D319 PolarHBondContact O-N 3.07Å; T316-D319 PolarHBondContact OG1-OD2 3.32Å; T316-V320 WeakPolarHBondContact O-CG2 3.48Å | ||
| 317 | P | 92 | Very high | 90.3 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -55.8 | -31.3 | 174.1 | -25 | 34.3 | 0 | 0 | 0 | 113.5 | L285 A289 M307 A309 V320 A321 L329 | L285-P317 HydrophobicContact CB-CG 4.41Å; L285-P317 HydrophobicContact CD2-CB 4.15Å; L285-P317 HydrophobicContact CD2-CG 3.83Å; L285-P317 HydrophobicContact CG-CB 4.02Å; L285-P317 HydrophobicContact CG-CG 3.99Å; A289-P317 HydrophobicContact CB-CB 4.14Å; M307-P317 WeakPolarHBondContact O-CD 3.29Å; A309-P317 WeakPolarHBondContact O-CD 3.17Å; P317-V320 PolarHBondContact O-N 3.34Å; P317-A321 WeakPolarHBondContact O-CB 3.2Å; P317-A321 PolarHBondContact O-N 2.92Å; P317-A321 VanDerWaalsContact O-N 3.08Å; P317-L329 HydrophobicContact CB-CD1 4.45Å |
| 318 | F | 91.8 | Very high | 90.6 | Very high | 48 Ų | 48 | 66.1 Ų | 66.1 | 21% | 0.211 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -68.1 | -34.7 | 176.2 | -62 | -97.7 | 0 | 0 | 0 | 112.9 | M307 T316 V320 L329 E330 L333 | M307-F318 HydrophobicContact CB-CE2 4.1Å; M307-F318 HydrophobicContact CB-CZ 4.48Å; M307-F318 HydrophobicContact CE-CZ 4.36Å; M307-F318 WeakPolarHBondContact O-CE2 3.43Å; T316-F318 PolarHBondContact O-N 2.82Å; T316-F318 VanDerWaalsContact O-N 3.16Å; T316-F318 PolarHBondContact OG1-N 3.3Å; F318-V320 PolarHBondContact O-N 2.89Å; F318-L329 HydrophobicContact CD1-CB 3.85Å; F318-L329 VanDerWaalsContact CE1-C 3.49Å; F318-L329 HydrophobicContact CE1-CB 3.45Å; F318-L329 VanDerWaalsContact CE1-CB 3.45Å; F318-L329 HydrophobicContact CZ-CB 3.91Å; F318-E330 HydrophobicContact CD1-CG 4.38Å; F318-E330 HydrophobicContact CE1-CG 3.97Å; F318-L333 HydrophobicContact CE2-CD2 4.48Å; F318-L333 HydrophobicContact CZ-CB 4.19Å; F318-L333 HydrophobicContact CZ-CD2 3.88Å |
| 319 | D | 91 | Very high | 90.7 | Very high | 103 Ų | 103 | 59.6 Ų | 59.6 | 55% | 0.551 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -74.8 | -6.7 | 178.6 | -57.9 | -71.5 | 0 | 0 | 0 | 112.9 | Q315 T316 | Q315-D319 HydrophobicContact CB-CB 4.12Å; Q315-D319 HydrophobicContact CG-CB 4.44Å; T316-D319 WeakPolarHBondContact CB-OD2 3.44Å; T316-D319 PolarHBondContact N-OD2 2.96Å; T316-D319 PolarHBondContact O-N 3.07Å; T316-D319 PolarHBondContact OG1-OD2 3.32Å |
| 320 | V | 90.3 | Very high | 90.6 | Very high | 25 Ų | 25 | 65.3 Ų | 65.3 | 15% | 0.152 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | -12.4 | -175.1 | -173 | 0 | 0 | 0 | 0 | 111.5 | W282 H290 Q315 T316 P317 F318 | W282-V320 HydrophobicContact CH2-CG1 4.08Å; W282-V320 HydrophobicContact CZ2-CG1 4.42Å; H290-V320 HydrophobicContact CB-CG1 3.73Å; Q315-V320 HydrophobicContact CB-CG2 4.03Å; T316-V320 WeakPolarHBondContact O-CG2 3.48Å; P317-V320 PolarHBondContact O-N 3.34Å; F318-V320 PolarHBondContact O-N 2.89Å |
| 321 | A | 92.9 | Very high | 90.5 | Very high | 20 Ų | 20 | 61.9 Ų | 61.9 | 17% | 0.165 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -78.3 | 146.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A289 P317 V325 A326 L329 | A289-A321 HydrophobicContact CB-CB 4.15Å; P317-A321 WeakPolarHBondContact O-CB 3.2Å; P317-A321 PolarHBondContact O-N 2.92Å; P317-A321 VanDerWaalsContact O-N 3.08Å; A321-V325 HydrophobicContact CB-CB 4.18Å; A321-V325 HydrophobicContact CB-CG1 4.2Å; A321-A326 HydrophobicContact CB-CB 4.25Å; A321-L329 HydrophobicContact CB-CD1 3.88Å |
| 322 | D | 88.3 | Confident | 90.3 | Very high | 108 Ų | 108 | 62.1 Ų | 62.1 | 58% | 0.578 | 34% | 0.344 | S | S | * | . | trans | -66.2 | 158.4 | 162.1 | -85.8 | -36.2 | 0 | 0 | 0 | 111.9 | S324 V325 A326 | D322-S324 VanDerWaalsContact C-N 3.29Å; D322-S324 PolarHBondContact O-N 3Å; D322-S324 VanDerWaalsContact O-N 3.12Å; D322-V325 PolarHBondContact O-N 2.92Å; D322-A326 PolarHBondContact O-N 2.87Å | ||
| 323 | E | 87.3 | Confident | 90.2 | Very high | 178 Ų | 178 | 58.6 Ų | 58.6 | 83% | 0.832 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -50.4 | -42.2 | -173.2 | -64.6 | -175.5 | 165.1 | 0 | 0 | 113.6 | E327 | E323-E327 PolarHBondContact O-N 3.16Å |
| 324 | S | 88.5 | Confident | 90.1 | Very high | 71 Ų | 71 | 60.8 Ų | 60.8 | 50% | 0.497 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -71.5 | -34.8 | 179 | 55.8 | 0 | 0 | 0 | 0 | 113.7 | D322 L328 | D322-S324 VanDerWaalsContact C-N 3.29Å; D322-S324 PolarHBondContact O-N 3Å; D322-S324 VanDerWaalsContact O-N 3.12Å; S324-L328 PolarHBondContact O-N 3.32Å |
| 325 | V | 90.6 | Very high | 89.8 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -77.8 | -32 | 177.7 | -178.9 | 0 | 0 | 0 | 0 | 110.4 | E294 A321 D322 L328 L329 | E294-V325 HydrophobicContact CG-CG2 4.09Å; A321-V325 HydrophobicContact CB-CB 4.18Å; A321-V325 HydrophobicContact CB-CG1 4.2Å; D322-V325 PolarHBondContact O-N 2.92Å; V325-L328 PolarHBondContact O-N 3.37Å; V325-L329 HydrophobicContact CG1-CD1 4.03Å; V325-L329 HydrophobicContact CG1-CG 4.12Å; V325-L329 WeakPolarHBondContact O-CB 2.97Å; V325-L329 WeakPolarHBondContact O-CG 3.48Å; V325-L329 PolarHBondContact O-N 3.24Å |
| 326 | A | 90.1 | Very high | 89.5 | Confident | 23 Ų | 23 | 60 Ų | 60 | 19% | 0.19 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A321 D322 L328 L329 E330 | A321-A326 HydrophobicContact CB-CB 4.25Å; D322-A326 PolarHBondContact O-N 2.87Å; A326-L328 VanDerWaalsContact C-N 3.33Å; A326-L328 PolarHBondContact O-N 3.26Å; A326-L329 PolarHBondContact O-N 3.03Å; A326-E330 PolarHBondContact O-N 2.99Å |
| 327 | E | 89.8 | Confident | 89 | Confident | 152 Ų | 152 | 60.6 Ų | 60.6 | 71% | 0.71 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -57.9 | -42.7 | 174.2 | -72.3 | -172.2 | 174.3 | 0 | 0 | 112.1 | E323 E330 E331 | E323-E327 PolarHBondContact O-N 3.16Å; E327-E330 PolarHBondContact O-N 3.42Å; E327-E331 PolarHBondContact O-N 3.43Å; E327-E331 VanDerWaalsContact O-N 3.12Å |
| 328 | L | 90.4 | Very high | 88.6 | Confident | 13 Ų | 13 | 64.5 Ų | 64.5 | 7% | 0.068 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.2 | -40.7 | 176 | 176.6 | 64 | 0 | 0 | 0 | 112.7 | E294 R298 S324 V325 A326 E330 E331 L332 | E294-L328 HydrophobicContact CB-CD2 3.52Å; E294-L328 HydrophobicContact CG-CD2 3.59Å; R298-L328 HydrophobicContact CG-CD1 4.27Å; R298-L328 HydrophobicContact CG-CD2 4.21Å; S324-L328 PolarHBondContact O-N 3.32Å; V325-L328 PolarHBondContact O-N 3.37Å; A326-L328 VanDerWaalsContact C-N 3.33Å; A326-L328 PolarHBondContact O-N 3.26Å; L328-E330 VanDerWaalsContact C-N 3.32Å; L328-E330 PolarHBondContact O-N 3.07Å; L328-E331 PolarHBondContact O-N 3.27Å; L328-L332 HydrophobicContact CD1-CD1 4.13Å; L328-L332 HydrophobicContact CD1-CG 4.14Å; L328-L332 HydrophobicContact CD2-CD1 4.46Å; L328-L332 HydrophobicContact CG-CD1 3.89Å; L328-L332 HydrophobicContact CG-CG 4.33Å; L328-L332 WeakPolarHBondContact O-CB 3.46Å; L328-L332 VanDerWaalsContact O-CG 3.26Å; L328-L332 WeakPolarHBondContact O-CG 3.06Å; L328-L332 PolarHBondContact O-N 2.89Å |
| 329 | L | 89.2 | Confident | 88 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.6 | -35 | 178 | -71.4 | 170 | 0 | 0 | 0 | 111.5 | L285 A289 C297 M307 P317 F318 A321 V325 A326 L332 L333 | L285-L329 HydrophobicContact CD1-CD2 3.88Å; L285-L329 HydrophobicContact CG-CD2 4.48Å; A289-L329 HydrophobicContact CB-CD1 4.03Å; C297-L329 HydrophobicContact CB-CD2 4.04Å; M307-L329 HydrophobicContact CE-CB 4.29Å; M307-L329 HydrophobicContact CE-CD2 3.6Å; P317-L329 HydrophobicContact CB-CD1 4.45Å; F318-L329 HydrophobicContact CD1-CB 3.85Å; F318-L329 VanDerWaalsContact CE1-C 3.49Å; F318-L329 HydrophobicContact CE1-CB 3.45Å; F318-L329 VanDerWaalsContact CE1-CB 3.45Å; F318-L329 HydrophobicContact CZ-CB 3.91Å; A321-L329 HydrophobicContact CB-CD1 3.88Å; V325-L329 HydrophobicContact CG1-CD1 4.03Å; V325-L329 HydrophobicContact CG1-CG 4.12Å; V325-L329 WeakPolarHBondContact O-CB 2.97Å; V325-L329 WeakPolarHBondContact O-CG 3.48Å; V325-L329 PolarHBondContact O-N 3.24Å; A326-L329 PolarHBondContact O-N 3.03Å; L329-L332 PolarHBondContact O-N 3.5Å; L329-L333 VanDerWaalsContact O-CB 3.3Å; L329-L333 WeakPolarHBondContact O-CB 3.32Å; L329-L333 PolarHBondContact O-N 3.33Å |
| 330 | E | 88.8 | Confident | 87.5 | Confident | 132 Ų | 132 | 71.4 Ų | 71.4 | 62% | 0.617 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.1 | -45.1 | 172.2 | -74.2 | -167.5 | 179.7 | 0 | 0 | 111.3 | F318 A326 E327 L328 L332 L333 Q334 | F318-E330 HydrophobicContact CD1-CG 4.38Å; F318-E330 HydrophobicContact CE1-CG 3.97Å; A326-E330 PolarHBondContact O-N 2.99Å; E327-E330 PolarHBondContact O-N 3.42Å; L328-E330 VanDerWaalsContact C-N 3.32Å; L328-E330 PolarHBondContact O-N 3.07Å; E330-L332 VanDerWaalsContact C-N 3.34Å; E330-L332 PolarHBondContact O-N 3.26Å; E330-L333 PolarHBondContact O-N 2.97Å; E330-Q334 PolarHBondContact O-N 2.87Å |
| 331 | E | 89.5 | Confident | 87 | Confident | 98 Ų | 98 | 74.6 Ų | 74.6 | 46% | 0.458 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 176.3 | -157.2 | -145.6 | 179.1 | 0 | 0 | 111.6 | E327 L328 Q334 K335 | E327-E331 PolarHBondContact O-N 3.43Å; E327-E331 VanDerWaalsContact O-N 3.12Å; L328-E331 PolarHBondContact O-N 3.27Å; E331-Q334 PolarHBondContact O-N 3.48Å; E331-K335 HydrophobicContact CG-CD 4.46Å; E331-K335 WeakPolarHBondContact O-CB 3.49Å; E331-K335 VanDerWaalsContact O-CG 3.25Å; E331-K335 WeakPolarHBondContact O-CG 3.47Å; E331-K335 PolarHBondContact O-N 2.88Å; E331-K335 WeakPolarHBondContact OE1-CE 3.47Å; E331-K335 IonicContact OE1-NZ 2.67Å; E331-K335 PolarHBondContact OE1-NZ 2.88Å; E331-K335 IonicContact OE2-NZ 2.76Å; E331-K335 PolarHBondContact OE2-NZ 3.16Å |
| 332 | L | 88.2 | Confident | 86.2 | Confident | 14 Ų | 14 | 79.2 Ų | 79.2 | 7% | 0.073 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.5 | -39.2 | 176.7 | -73 | 172.3 | 0 | 0 | 0 | 112.6 | C297 R298 A301 M307 L328 L329 E330 K335 Q336 | C297-L332 HydrophobicContact CB-CD1 4.24Å; R298-L332 HydrophobicContact CG-CD1 4.06Å; R298-L332 HydrophobicContact CG-CD2 4.24Å; A301-L332 HydrophobicContact CB-CB 4Å; A301-L332 HydrophobicContact CB-CD1 3.97Å; A301-L332 HydrophobicContact CB-CD2 4.02Å; A301-L332 HydrophobicContact CB-CG 4.22Å; M307-L332 HydrophobicContact CE-CB 4.18Å; L328-L332 HydrophobicContact CD1-CD1 4.13Å; L328-L332 HydrophobicContact CD1-CG 4.14Å; L328-L332 HydrophobicContact CD2-CD1 4.46Å; L328-L332 HydrophobicContact CG-CD1 3.89Å; L328-L332 HydrophobicContact CG-CG 4.33Å; L328-L332 WeakPolarHBondContact O-CB 3.46Å; L328-L332 VanDerWaalsContact O-CG 3.26Å; L328-L332 WeakPolarHBondContact O-CG 3.06Å; L328-L332 PolarHBondContact O-N 2.89Å; L329-L332 PolarHBondContact O-N 3.5Å; E330-L332 VanDerWaalsContact C-N 3.34Å; E330-L332 PolarHBondContact O-N 3.26Å; L332-K335 HydrophobicContact CD2-CD 4.28Å; L332-K335 WeakPolarHBondContact O-CB 3.2Å; L332-K335 PolarHBondContact O-N 3.31Å; L332-Q336 WeakPolarHBondContact O-CG 3.45Å; L332-Q336 PolarHBondContact O-N 2.87Å |
| 333 | L | 89.3 | Confident | 85.6 | Confident | 52 Ų | 52 | 81.9 Ų | 81.9 | 27% | 0.272 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 173.6 | 176.3 | 59.5 | 0 | 0 | 0 | 111.1 | M307 F318 L329 E330 Q336 A337 | M307-L333 HydrophobicContact CB-CD1 4.05Å; M307-L333 HydrophobicContact CG-CD1 4.05Å; F318-L333 HydrophobicContact CE2-CD2 4.48Å; F318-L333 HydrophobicContact CZ-CB 4.19Å; F318-L333 HydrophobicContact CZ-CD2 3.88Å; L329-L333 VanDerWaalsContact O-CB 3.3Å; L329-L333 WeakPolarHBondContact O-CB 3.32Å; L329-L333 PolarHBondContact O-N 3.33Å; E330-L333 PolarHBondContact O-N 2.97Å; L333-Q336 PolarHBondContact O-N 3.24Å; L333-A337 WeakPolarHBondContact O-CB 3.26Å; L333-A337 PolarHBondContact O-N 3.06Å |
| 334 | Q | 86.8 | Confident | 85 | Confident | 109 Ų | 109 | 75 Ų | 75 | 51% | 0.509 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.6 | -37.5 | 175.4 | -173 | 59.9 | 63.5 | 0 | 0 | 111.8 | E330 E331 A337 N338 | E330-Q334 PolarHBondContact O-N 2.87Å; E331-Q334 PolarHBondContact O-N 3.48Å; Q334-A337 PolarHBondContact O-N 3.17Å; Q334-N338 PolarHBondContact NE2-OD1 3.5Å; Q334-N338 WeakPolarHBondContact O-CB 3.3Å; Q334-N338 PolarHBondContact O-N 2.83Å; Q334-N338 PolarHBondContact O-ND2 3.17Å; Q334-N338 PolarHBondContact O-OD1 2.94Å |
| 335 | K | 85.8 | Confident | 84.5 | Confident | 86 Ų | 86 | 75.7 Ų | 75.7 | 37% | 0.374 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61 | -47.5 | 171.4 | -78.4 | 165.6 | 175.3 | 169.6 | 0 | 111.6 | E331 L332 A337 N338 W339 | E331-K335 HydrophobicContact CG-CD 4.46Å; E331-K335 WeakPolarHBondContact O-CB 3.49Å; E331-K335 VanDerWaalsContact O-CG 3.25Å; E331-K335 WeakPolarHBondContact O-CG 3.47Å; E331-K335 PolarHBondContact O-N 2.88Å; E331-K335 WeakPolarHBondContact OE1-CE 3.47Å; E331-K335 IonicContact OE1-NZ 2.67Å; E331-K335 PolarHBondContact OE1-NZ 2.88Å; E331-K335 IonicContact OE2-NZ 2.76Å; E331-K335 PolarHBondContact OE2-NZ 3.16Å; L332-K335 HydrophobicContact CD2-CD 4.28Å; L332-K335 WeakPolarHBondContact O-CB 3.2Å; L332-K335 PolarHBondContact O-N 3.31Å; K335-A337 VanDerWaalsContact C-N 3.34Å; K335-A337 PolarHBondContact O-N 3.07Å; K335-N338 PolarHBondContact O-N 3.16Å; K335-W339 PolarHBondContact O-N 3.47Å |
| 336 | Q | 85.7 | Confident | 83.4 | Confident | 8 Ų | 8 | 78 Ų | 78 | 4% | 0.037 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 174.9 | -72.9 | -168.5 | -3.8 | 0 | 0 | 112 | A301 L304 C305 L332 L333 W339 R340 | A301-Q336 PolarHBondContact O-NE2 3.43Å; L304-Q336 HydrophobicContact CD2-CG 4.25Å; C305-Q336 PolarHBondContact O-NE2 3.11Å; L332-Q336 WeakPolarHBondContact O-CG 3.45Å; L332-Q336 PolarHBondContact O-N 2.87Å; L333-Q336 PolarHBondContact O-N 3.24Å; Q336-W339 PolarHBondContact O-N 3.28Å; Q336-R340 VanDerWaalsContact O-CG 3.29Å; Q336-R340 WeakPolarHBondContact O-CG 3.49Å; Q336-R340 PolarHBondContact O-N 3.34Å; Q336-R340 VanDerWaalsContact OE1-CZ 3.29Å |
| 337 | A | 82.8 | Confident | 82.6 | Confident | 31 Ų | 31 | 81.9 Ų | 81.9 | 26% | 0.256 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L333 Q334 K335 R340 N341 | L333-A337 WeakPolarHBondContact O-CB 3.26Å; L333-A337 PolarHBondContact O-N 3.06Å; Q334-A337 PolarHBondContact O-N 3.17Å; K335-A337 VanDerWaalsContact C-N 3.34Å; K335-A337 PolarHBondContact O-N 3.07Å; A337-R340 PolarHBondContact O-N 2.79Å; A337-N341 WeakPolarHBondContact O-CB 3.17Å; A337-N341 PolarHBondContact O-N 2.99Å; A337-N341 PolarHBondContact O-ND2 3.22Å; A337-N341 VanDerWaalsContact O-ND2 3.09Å |
| 338 | N | 84 | Confident | 81.6 | Confident | 81 Ų | 81 | 82.8 Ų | 82.8 | 43% | 0.433 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 174.3 | -69.4 | -11.4 | 0 | 0 | 0 | 111.3 | Q334 K335 R340 N341 E342 | Q334-N338 PolarHBondContact NE2-OD1 3.5Å; Q334-N338 WeakPolarHBondContact O-CB 3.3Å; Q334-N338 PolarHBondContact O-N 2.83Å; Q334-N338 PolarHBondContact O-ND2 3.17Å; Q334-N338 PolarHBondContact O-OD1 2.94Å; K335-N338 PolarHBondContact O-N 3.16Å; N338-R340 PolarHBondContact O-N 2.94Å; N338-N341 WeakPolarHBondContact O-CB 3.46Å; N338-N341 PolarHBondContact O-N 3.18Å; N338-E342 WeakPolarHBondContact O-CB 3.22Å; N338-E342 PolarHBondContact O-N 2.92Å |
| 339 | W | 79.9 | Confident | 80.4 | Confident | 181 Ų | 181 | 89.2 Ų | 89.2 | 69% | 0.686 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -58.1 | -44.2 | 175 | -93.2 | 103.7 | 0 | 0 | 0 | 113.1 | K335 Q336 R343 | K335-W339 PolarHBondContact O-N 3.47Å; Q336-W339 PolarHBondContact O-N 3.28Å; W339-R343 VanDerWaalsContact O-CB 3.23Å; W339-R343 WeakPolarHBondContact O-CB 3.41Å; W339-R343 PolarHBondContact O-N 2.94Å |
| 340 | R | 78.8 | Confident | 79.1 | Confident | 115 Ų | 115 | 95.7 Ų | 95.7 | 43% | 0.434 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 175.4 | -71.5 | 170 | -176.4 | 124.4 | 7.7 | 111.1 | Q336 A337 N338 S344 | Q336-R340 VanDerWaalsContact O-CG 3.29Å; Q336-R340 WeakPolarHBondContact O-CG 3.49Å; Q336-R340 PolarHBondContact O-N 3.34Å; Q336-R340 VanDerWaalsContact OE1-CZ 3.29Å; A337-R340 PolarHBondContact O-N 2.79Å; N338-R340 PolarHBondContact O-N 2.94Å; R340-S344 WeakPolarHBondContact O-CB 3.45Å; R340-S344 PolarHBondContact O-N 3.24Å; R340-S344 VanDerWaalsContact O-N 3.14Å |
| 341 | N | 80.9 | Confident | 77.3 | Confident | 93 Ų | 93 | 96.1 Ų | 96.1 | 50% | 0.497 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.2 | -50.4 | 176.8 | -77.5 | -39.3 | 0 | 0 | 0 | 112.2 | A337 N338 S344 I345 | A337-N341 WeakPolarHBondContact O-CB 3.17Å; A337-N341 PolarHBondContact O-N 2.99Å; A337-N341 PolarHBondContact O-ND2 3.22Å; A337-N341 VanDerWaalsContact O-ND2 3.09Å; N338-N341 WeakPolarHBondContact O-CB 3.46Å; N338-N341 PolarHBondContact O-N 3.18Å; N341-S344 WeakPolarHBondContact O-CB 3.28Å; N341-S344 PolarHBondContact O-N 3.39Å; N341-S344 VanDerWaalsContact O-N 3.13Å; N341-S344 PolarHBondContact O-OG 3.28Å; N341-I345 WeakPolarHBondContact O-CG1 3.4Å; N341-I345 PolarHBondContact O-N 3.48Å |
| 342 | E | 76.1 | Confident | 75.3 | Confident | 117 Ų | 117 | 97.3 Ų | 97.3 | 55% | 0.547 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | -179.7 | -178.3 | 168.6 | -160.1 | 0 | 0 | 111.8 | N338 S344 I345 S346 | N338-E342 WeakPolarHBondContact O-CB 3.22Å; N338-E342 PolarHBondContact O-N 2.92Å; E342-S344 VanDerWaalsContact C-N 3.28Å; E342-S344 PolarHBondContact O-N 3.33Å; E342-I345 WeakPolarHBondContact O-CA 3.4Å; E342-I345 WeakPolarHBondContact O-CB 3.25Å; E342-I345 PolarHBondContact O-N 2.85Å; E342-S346 PolarHBondContact O-N 3.22Å; E342-S346 PolarHBondContact O-OG 3.44Å |
| 343 | R | 76.1 | Confident | 73.5 | Confident | 163 Ų | 163 | 99.5 Ų | 99.5 | 62% | 0.615 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -55.6 | -44.4 | 172.5 | -178.7 | 173.3 | 177.7 | 157.8 | 1.5 | 111.6 | W339 I345 S346 E347 | W339-R343 VanDerWaalsContact O-CB 3.23Å; W339-R343 WeakPolarHBondContact O-CB 3.41Å; W339-R343 PolarHBondContact O-N 2.94Å; R343-I345 PolarHBondContact O-N 2.67Å; R343-S346 PolarHBondContact O-N 2.86Å; R343-E347 HydrophobicContact CG-CG 4.42Å; R343-E347 WeakPolarHBondContact CG-OE1 3.35Å; R343-E347 IonicContact CZ-OE1 2.88Å; R343-E347 IonicContact NE-OE1 3.46Å; R343-E347 PolarHBondContact NE-OE1 3.34Å; R343-E347 IonicContact NH2-OE1 2.75Å; R343-E347 WeakPolarHBondContact O-CB 3.32Å; R343-E347 WeakPolarHBondContact O-CG 3.45Å; R343-E347 PolarHBondContact O-N 3.31Å |
| 344 | S | 74.4 | Confident | 71.4 | Confident | 34 Ų | 34 | 103.2 Ų | 103.2 | 24% | 0.238 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -67 | -22 | 176.8 | 86.7 | 0 | 0 | 0 | 0 | 113.9 | R340 N341 E342 R348 | R340-S344 WeakPolarHBondContact O-CB 3.45Å; R340-S344 PolarHBondContact O-N 3.24Å; R340-S344 VanDerWaalsContact O-N 3.14Å; N341-S344 WeakPolarHBondContact O-CB 3.28Å; N341-S344 PolarHBondContact O-N 3.39Å; N341-S344 VanDerWaalsContact O-N 3.13Å; N341-S344 PolarHBondContact O-OG 3.28Å; E342-S344 VanDerWaalsContact C-N 3.28Å; E342-S344 PolarHBondContact O-N 3.33Å; S344-R348 WeakPolarHBondContact O-CB 3.46Å; S344-R348 WeakPolarHBondContact O-CG 3.3Å; S344-R348 PolarHBondContact O-N 2.87Å; S344-R348 PolarHBondContact O-NE 3.4Å; S344-R348 PolarHBondContact OG-NH2 3.32Å |
| 345 | I | 76.8 | Confident | 69.2 | Low | 85 Ų | 85 | 105.4 Ų | 105.4 | 44% | 0.436 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -81.1 | -46.2 | 174.8 | -68.8 | 162.7 | 0 | 0 | 0 | 109.3 | N341 E342 R343 R348 Q349 | N341-I345 WeakPolarHBondContact O-CG1 3.4Å; N341-I345 PolarHBondContact O-N 3.48Å; E342-I345 WeakPolarHBondContact O-CA 3.4Å; E342-I345 WeakPolarHBondContact O-CB 3.25Å; E342-I345 PolarHBondContact O-N 2.85Å; R343-I345 PolarHBondContact O-N 2.67Å; I345-R348 CarbonylContact O-C 3.51Å; I345-R348 WeakPolarHBondContact O-CA 3.43Å; I345-R348 WeakPolarHBondContact O-CB 3.46Å; I345-R348 PolarHBondContact O-N 3Å; I345-R348 VanDerWaalsContact O-N 3.07Å; I345-Q349 WeakPolarHBondContact O-CG 3.2Å; I345-Q349 PolarHBondContact O-N 3.22Å |
| 346 | S | 69 | Low | 67.1 | Low | 51 Ų | 51 | 106.5 Ų | 106.5 | 36% | 0.357 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.5 | -41.8 | 175.3 | -67.3 | 0 | 0 | 0 | 0 | 112.5 | E342 R343 R348 Q349 N350 | E342-S346 PolarHBondContact O-N 3.22Å; E342-S346 PolarHBondContact O-OG 3.44Å; R343-S346 PolarHBondContact O-N 2.86Å; S346-R348 VanDerWaalsContact C-N 3.29Å; S346-R348 PolarHBondContact O-N 3.34Å; S346-Q349 PolarHBondContact O-N 2.99Å; S346-N350 WeakPolarHBondContact O-CB 3.39Å; S346-N350 PolarHBondContact O-N 3.34Å; S346-N350 PolarHBondContact O-ND2 3.12Å |
| 347 | E | 71.8 | Confident | 65 | Low | 105 Ų | 105 | 110 Ų | 110 | 49% | 0.491 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.2 | -32.8 | 172.3 | -73.4 | 174.9 | -168.6 | 0 | 0 | 112 | R343 Q351 | R343-E347 HydrophobicContact CG-CG 4.42Å; R343-E347 WeakPolarHBondContact CG-OE1 3.35Å; R343-E347 IonicContact CZ-OE1 2.88Å; R343-E347 IonicContact NE-OE1 3.46Å; R343-E347 PolarHBondContact NE-OE1 3.34Å; R343-E347 IonicContact NH2-OE1 2.75Å; R343-E347 WeakPolarHBondContact O-CB 3.32Å; R343-E347 WeakPolarHBondContact O-CG 3.45Å; R343-E347 PolarHBondContact O-N 3.31Å; E347-Q351 PolarHBondContact O-N 3.39Å |
| 348 | R | 70.4 | Confident | 63 | Low | 170 Ų | 170 | 115.7 Ų | 115.7 | 64% | 0.642 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -75.3 | -28.8 | 173.5 | -82.7 | -180 | -86.2 | -160.5 | -4.4 | 113.7 | S344 I345 S346 | S344-R348 WeakPolarHBondContact O-CB 3.46Å; S344-R348 WeakPolarHBondContact O-CG 3.3Å; S344-R348 PolarHBondContact O-N 2.87Å; S344-R348 PolarHBondContact O-NE 3.4Å; S344-R348 PolarHBondContact OG-NH2 3.32Å; I345-R348 CarbonylContact O-C 3.51Å; I345-R348 WeakPolarHBondContact O-CA 3.43Å; I345-R348 WeakPolarHBondContact O-CB 3.46Å; I345-R348 PolarHBondContact O-N 3Å; I345-R348 VanDerWaalsContact O-N 3.07Å; S346-R348 VanDerWaalsContact C-N 3.29Å; S346-R348 PolarHBondContact O-N 3.34Å |
| 349 | Q | 65.1 | Low | 60.9 | Low | 149 Ų | 149 | 116.6 Ų | 116.6 | 70% | 0.696 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -77.8 | -34.1 | 173 | -70.1 | -175.3 | 17.7 | 0 | 0 | 112.3 | I345 S346 Q351 | I345-Q349 WeakPolarHBondContact O-CG 3.2Å; I345-Q349 PolarHBondContact O-N 3.22Å; S346-Q349 PolarHBondContact O-N 2.99Å; Q349-Q351 VanDerWaalsContact C-N 3.34Å |
| 350 | N | 60.3 | Low | 59.2 | Low | 136 Ų | 136 | 116.9 Ų | 116.9 | 73% | 0.727 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -82.9 | -3.1 | 179.7 | -74.2 | -32.6 | 0 | 0 | 0 | 114.4 | S346 P352 | S346-N350 WeakPolarHBondContact O-CB 3.39Å; S346-N350 PolarHBondContact O-N 3.34Å; S346-N350 PolarHBondContact O-ND2 3.12Å; N350-P352 WeakPolarHBondContact O-CD 3.21Å |
| 351 | Q | 51.4 | Low | 57.3 | Low | 141 Ų | 141 | 114.9 Ų | 114.9 | 66% | 0.659 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -68.4 | 121.2 | 167.1 | -81.7 | -176.8 | 34.1 | 0 | 0 | 110.1 | E347 Q349 G353 | E347-Q351 PolarHBondContact O-N 3.39Å; Q349-Q351 VanDerWaalsContact C-N 3.34Å; Q351-G353 PolarHBondContact O-N 2.77Å; Q351-G353 VanDerWaalsContact O-N 3.11Å |
| 352 | P | 48.8 | Very low | 55.5 | Low | 123 Ų | 123 | 120.3 Ų | 120.3 | 80% | 0.799 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 117.1 | 176 | 26.5 | -33 | 0 | 0 | 0 | 109.4 | N350 | N350-P352 WeakPolarHBondContact O-CD 3.21Š|
| 353 | G | 48.3 | Very low | 53.7 | Low | 59 Ų | 59 | 126.7 Ų | 126.7 | 61% | 0.608 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 141.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q351 N355 | Q351-G353 PolarHBondContact O-N 2.77Å; Q351-G353 VanDerWaalsContact O-N 3.11Å; G353-N355 PolarHBondContact O-N 3.37Å |
| 354 | P | 46.4 | Very low | 51.9 | Low | 130 Ų | 130 | 130.8 Ų | 130.8 | 84% | 0.844 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 125.2 | -172.3 | 23.6 | -33.9 | 0 | 0 | 0 | 110.8 | A356 | P354-A356 PolarHBondContact O-N 2.98Š|
| 355 | N | 40.4 | Very low | 50.3 | Low | 156 Ų | 156 | 141 Ų | 141 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | trans | -44.9 | 126.2 | -173.1 | -93.2 | -48.2 | 0 | 0 | 0 | 112.5 | G353 A357 | G353-N355 PolarHBondContact O-N 3.37Å; N355-A357 HydrophobicContact CB-CB 4.35Å; N355-A357 PolarHBondContact O-N 3.4Å | ||
| 356 | A | 41.4 | Very low | 48.6 | Very low | 108 Ų | 108 | 143.2 Ų | 143.2 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -73.7 | 58.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P354 | P354-A356 PolarHBondContact O-N 2.98Š|
| 357 | A | 40.8 | Very low | 47.1 | Very low | 83 Ų | 83 | 145.6 Ų | 145.6 | 69% | 0.686 | 78% | 0.779 | S | S | * | * | trans | -125.1 | 19.7 | -163.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | N355 | N355-A357 HydrophobicContact CB-CB 4.35Å; N355-A357 PolarHBondContact O-N 3.4Å | ||
| 358 | N | 41.4 | Very low | 45.2 | Very low | 150 Ų | 150 | 146.1 Ų | 146.1 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | -147.7 | 62.3 | 166.2 | -152.3 | -13 | 0 | 0 | 0 | 114.6 | Q360 | N358-Q360 PolarHBondContact O-N 3.45Š| ||
| 359 | A | 41.3 | Very low | 43.6 | Very low | 99 Ų | 99 | 144.1 Ų | 144.1 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -93.1 | 29.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 360 | Q | 44 | Very low | 42.5 | Very low | 188 Ų | 188 | 147.8 Ų | 147.8 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | trans | -129.7 | 79.5 | 175.6 | -67.2 | -155.7 | 14 | 0 | 0 | 113.6 | N358 | N358-Q360 PolarHBondContact O-N 3.45Š| ||
| 361 | G | 38.6 | Very low | 41.2 | Very low | 73 Ų | 73 | 148.5 Ų | 148.5 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | -150.3 | 39.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R363 | G361-R363 PolarHBondContact O-N 2.89Å; G361-R363 VanDerWaalsContact O-N 3.13Å | ||
| 362 | K | 42.8 | Very low | 40.5 | Very low | 207 Ų | 207 | 147.6 Ų | 147.6 | 90% | 0.9 | 82% | 0.818 | S | S | * | * | trans | -61.7 | 112.3 | -171.3 | -70.8 | 177.9 | 179.8 | 171.7 | 0 | 113.3 | ||||
| 363 | R | 37.1 | Very low | 40.5 | Very low | 250 Ų | 250 | 147.3 Ų | 147.3 | 94% | 0.943 | 82% | 0.819 | S | S | * | * | trans | -120.2 | 157.2 | 147.3 | -77 | -165.9 | 168.8 | -119.5 | -4.1 | 110.8 | G361 | G361-R363 PolarHBondContact O-N 2.89Å; G361-R363 VanDerWaalsContact O-N 3.13Å | ||
| 364 | R | 39 | Very low | 40.2 | Very low | 250 Ų | 250 | 155.2 Ų | 155.2 | 94% | 0.943 | 83% | 0.83 | S | S | * | * | trans | -87.1 | 156 | -159.6 | -78.5 | -177.2 | 168.3 | -167.5 | -2.9 | 114 | ||||
| 365 | R | 41.3 | Very low | 40 | Very low | 247 Ų | 247 | 156.5 Ų | 156.5 | 93% | 0.932 | 83% | 0.83 | S | S | * | * | trans | -76.9 | 117.9 | -175.7 | -179.3 | -170.8 | -165.3 | 176.1 | 5.8 | 113.6 | ||||
| 366 | T | 41.7 | Very low | 39.9 | Very low | 132 Ų | 132 | 157.3 Ų | 157.3 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | trans | -153.4 | 140.9 | 157.8 | 44.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 367 | S | 37 | Very low | 39.9 | Very low | 101 Ų | 101 | 160.2 Ų | 160.2 | 71% | 0.706 | 83% | 0.825 | S | S | * | * | cis | -164.8 | 141.8 | -2.7 | 47 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 368 | V | 31.1 | Very low | 39.5 | Very low | 116 Ų | 116 | 163.6 Ų | 163.6 | 70% | 0.703 | 83% | 0.831 | S | S | * | * | trans | 40.4 | 97.9 | 153.4 | -171.4 | 0 | 0 | 0 | 0 | 117.4 | R370 | V368-R370 HydrophobicContact CG1-CG 4.35Å; V368-R370 PolarHBondContact O-N 3.12Å | ||
| 369 | C | 36.4 | Very low | 39 | Very low | 129 Ų | 129 | 162.8 Ų | 162.8 | 87% | 0.872 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 119.7 | 151.1 | -60.8 | 0 | 0 | 0 | 0 | 108.5 | M371 | C369-M371 PolarHBondContact O-N 3.28Š|
| 370 | R | 43.7 | Very low | 38.6 | Very low | 225 Ų | 225 | 166.7 Ų | 166.7 | 85% | 0.849 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 116.5 | 167.1 | -75.8 | 179.9 | 166.6 | 84.2 | -5.1 | 107.9 | V368 | V368-R370 HydrophobicContact CG1-CG 4.35Å; V368-R370 PolarHBondContact O-N 3.12Å |
| 371 | M | 31.6 | Very low | 38.2 | Very low | 151 Ų | 151 | 163.7 Ų | 163.7 | 74% | 0.744 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 139.1 | 167.5 | -55.8 | -172.6 | -51.2 | 0 | 0 | 108.7 | C369 | C369-M371 PolarHBondContact O-N 3.28Š|
| 372 | S | 37.9 | Very low | 38 | Very low | 123 Ų | 123 | 168.9 Ų | 168.9 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 147.3 | 171.9 | -167 | 0 | 0 | 0 | 0 | 110.3 | ||
| 373 | S | 48.8 | Very low | 37.5 | Very low | 116 Ų | 116 | 163.1 Ų | 163.1 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -98.6 | 100.9 | -171.3 | 55 | 0 | 0 | 0 | 0 | 112.2 | ||
| 374 | R | 41.3 | Very low | 37.3 | Very low | 225 Ų | 225 | 160.5 Ų | 160.5 | 85% | 0.849 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -140.8 | -40.4 | 159.4 | -153 | 163.5 | 179 | 93 | -2.5 | 113.3 | K376 | R374-K376 PolarHBondContact O-N 3.45Š|
| 375 | D | 42.9 | Very low | 36.9 | Very low | 157 Ų | 157 | 155.6 Ų | 155.6 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -95.9 | 59.5 | -171.5 | -48.2 | -70.7 | 0 | 0 | 0 | 114 | ||
| 376 | K | 38.3 | Very low | 36.4 | Very low | 173 Ų | 173 | 155 Ų | 155 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -141.3 | 59.7 | 177.8 | -86.6 | -157.5 | 172 | -169.5 | 0 | 115.7 | R374 | R374-K376 PolarHBondContact O-N 3.45Š| ||
| 377 | I | 41.4 | Very low | 35.8 | Very low | 170 Ų | 170 | 152 Ų | 152 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -161.8 | 133.8 | 148.2 | 30.9 | 174.2 | 0 | 0 | 0 | 104.5 | ||||
| 378 | N | 31.6 | Very low | 35.3 | Very low | 154 Ų | 154 | 154 Ų | 154 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | cis | -149.5 | -169.1 | 41 | -172.8 | 12.1 | 0 | 0 | 0 | 110.7 | ||||
| 379 | V | 31.2 | Very low | 35.4 | Very low | 133 Ų | 133 | 154.5 Ų | 154.5 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | trans | 98.2 | 91.4 | 175 | -173.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 380 | Q | 33.2 | Very low | 35 | Very low | 180 Ų | 180 | 152.2 Ų | 152.2 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | trans | -153.3 | 102.1 | 140.6 | -104.5 | 166.7 | 6.4 | 0 | 0 | 105.6 | ||||
| 381 | D | 34.5 | Very low | 34.1 | Very low | 126 Ų | 126 | 145 Ų | 145 | 67% | 0.674 | 81% | 0.805 | S | S | * | * | 66.2 | 94.2 | 93.6 | -166.5 | -3.8 | 0 | 0 | 0 | 112.1 | S383 | D381-S383 PolarHBondContact OD1-OG 3.45Š| |||
| 382 | L | 34.7 | Very low | 34 | Very low | 181 Ų | 181 | 144.1 Ų | 144.1 | 95% | 0.948 | 81% | 0.808 | S | S | * | * | trans | -115.1 | 84.2 | 174.3 | -77 | 174.6 | 0 | 0 | 0 | 109 | ||||
| 383 | S | 32.1 | Very low | 33.5 | Very low | 87 Ų | 87 | 144.6 Ų | 144.6 | 61% | 0.608 | 80% | 0.801 | S | S | * | * | trans | -126.7 | 117.4 | 177.6 | 55.5 | 0 | 0 | 0 | 0 | 113 | D381 | D381-S383 PolarHBondContact OD1-OG 3.45Š| ||
| 384 | K | 33.5 | Very low | 32.4 | Very low | 195 Ų | 195 | 146 Ų | 146 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | 89.7 | 121.2 | 156.9 | -69.6 | 179.2 | 177.9 | 174.9 | 0 | 122.6 | ||||
| 385 | E | 31.1 | Very low | 31.7 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | trans | 91.7 | 119.6 | 134 | -69.9 | -74.9 | 132.6 | 0 | 0 | 122.6 | ||||
| 386 | R | 29.8 | Very low | 31.1 | Very low | 234 Ų | 234 | 140.1 Ų | 140.1 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | 64.9 | 135.6 | 148.8 | -72.4 | 164.7 | 175.2 | -117 | -7.7 | 120.8 | ||||
| 387 | G | 29.2 | Very low | 30.7 | Very low | 69 Ų | 69 | 138.6 Ų | 138.6 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | cis | 160.8 | -176.6 | -7.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 388 | V | 26.3 | Very low | 30.1 | Very low | 144 Ų | 144 | 137.2 Ų | 137.2 | 87% | 0.873 | 77% | 0.766 | S | S | * | * | trans | 80.4 | 89.5 | 168.4 | -167.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 389 | S | 33.2 | Very low | 29.8 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 88% | 0.881 | 76% | 0.76 | S | S | * | * | 159.7 | 143.7 | 125.7 | 49.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 390 | G | 28 | Very low | 29.5 | Very low | 81 Ų | 81 | 135.1 Ų | 135.1 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | cis | 168.4 | 92.7 | -11 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 391 | G | 25.4 | Very low | 29.2 | Very low | 74 Ų | 74 | 131.4 Ų | 131.4 | 76% | 0.763 | 75% | 0.746 | S | S | * | * | trans | 99.4 | 160.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 392 | V | 29.8 | Very low | 28.7 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | cis | -150 | 149.9 | -2 | -173 | 0 | 0 | 0 | 0 | 110 | ||||
| 393 | D | 27.3 | Very low | 28.3 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | trans | 62.3 | 120.2 | 159.1 | -82.5 | -146.9 | 0 | 0 | 0 | 126 | ||||
| 394 | M | 26.3 | Very low | 28.1 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | 69.1 | 106 | 122 | -59.2 | -62.5 | 98.8 | 0 | 0 | 123.5 | |||||
| 395 | S | 26.2 | Very low | 27.8 | Very low | 84 Ų | 84 | 128.3 Ų | 128.3 | 59% | 0.587 | 75% | 0.75 | S | S | * | * | 78.8 | 110.7 | 111 | -56.4 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 396 | E | 30.4 | Very low | 27.6 | Very low | 175 Ų | 175 | 125.6 Ų | 125.6 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | 89 | 143.8 | 117.5 | -71.8 | -177.2 | 153.5 | 0 | 0 | 123.5 | |||||
| 397 | E | 29.2 | Very low | 27.5 | Very low | 141 Ų | 141 | 120.9 Ų | 120.9 | 66% | 0.659 | 75% | 0.749 | S | S | * | * | trans | 69.6 | 99.6 | 154.6 | -58.9 | -120.4 | 124.1 | 0 | 0 | 121.8 | ||||
| 398 | K | 28.9 | Very low | 27.5 | Very low | 140 Ų | 140 | 123 Ų | 123 | 61% | 0.609 | 75% | 0.754 | S | S | * | * | 90.3 | 134.1 | 111.4 | -80.3 | -177.4 | 174.4 | 138.2 | 0 | 123.7 | |||||
| 399 | E | 25.1 | Very low | 27.8 | Very low | 152 Ų | 152 | 121.6 Ų | 121.6 | 71% | 0.71 | 75% | 0.75 | S | S | * | * | trans | 66 | 113.5 | 132.7 | -66.1 | 179.4 | -128 | 0 | 0 | 122.2 | ||||
| 400 | S | 24.5 | Very low | 28.3 | Very low | 91 Ų | 91 | 121.2 Ų | 121.2 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | 64.4 | 115.8 | 128 | 73.8 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 401 | S | 27 | Very low | 28.2 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | 74.5 | 149.1 | 121.7 | -58.4 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 402 | T | 24.5 | Very low | 28.4 | Very low | 134 Ų | 134 | 127 Ų | 127 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | trans | 66.1 | 155.7 | 164.7 | 42.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 403 | E | 26.4 | Very low | 28.3 | Very low | 172 Ų | 172 | 129.5 Ų | 129.5 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | cis | -149.2 | 156 | 12.6 | 50.8 | -144.8 | 118.7 | 0 | 0 | 115.3 | ||||
| 404 | S | 27.7 | Very low | 28.3 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 67% | 0.671 | 75% | 0.749 | S | S | * | * | trans | 32 | 115.8 | 150.4 | 61.6 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 405 | S | 27.5 | Very low | 28.4 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | 40.7 | 117.1 | 114.2 | -50.1 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 406 | A | 27.6 | Very low | 28.5 | Very low | 90 Ų | 90 | 129.8 Ų | 129.8 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | trans | -158.8 | 95.2 | 148 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 407 | V | 27.4 | Very low | 28.2 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | 65.3 | 138.1 | 99.7 | -57.1 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 408 | S | 27.7 | Very low | 28.1 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | 82.4 | 112.8 | 154.8 | -55.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 409 | S | 33.1 | Very low | 27.8 | Very low | 113 Ų | 113 | 124.4 Ų | 124.4 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | -72.3 | 166.1 | 140.8 | -38.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 410 | P | 44.4 | Very low | 27.9 | Very low | 119 Ų | 119 | 123.1 Ų | 123.1 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | -149.3 | -166.1 | 79.8 | 41.2 | -21.7 | 0 | 0 | 0 | 114.9 | |||||
| 411 | D | 26 | Very low | 28.1 | Very low | 143 Ų | 143 | 124.1 Ų | 124.1 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | trans | -67.3 | 156.5 | -173.4 | -42.3 | -100 | 0 | 0 | 0 | 115.9 | ||||
| 412 | T | 30.1 | Very low | 28.7 | Very low | 132 Ų | 132 | 124.6 Ų | 124.6 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | 175.7 | 135.7 | 108 | 29.4 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 413 | E | 27.2 | Very low | 28.7 | Very low | 184 Ų | 184 | 122.4 Ų | 122.4 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | 38.1 | 163.5 | 140.1 | -58.1 | -158.3 | 151.6 | 0 | 0 | 125.9 | ||||
| 414 | S | 28 | Very low | 28.7 | Very low | 111 Ų | 111 | 122.7 Ų | 122.7 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | 78.9 | 111.6 | 167.5 | 72.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 415 | V | 27.5 | Very low | 28.6 | Very low | 133 Ų | 133 | 127.3 Ų | 127.3 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | 91 | 105.6 | 51.7 | 168.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 416 | T | 27.6 | Very low | 29.3 | Very low | 125 Ų | 125 | 126.3 Ų | 126.3 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | -178.7 | 138 | 125.4 | 23 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 417 | T | 25.5 | Very low | 29.3 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | 24.3 | 143.7 | 139.6 | 63.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 418 | S | 26.1 | Very low | 29.3 | Very low | 99 Ų | 99 | 128.7 Ų | 128.7 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | cis | -170.8 | 170.2 | 6.2 | -119.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 419 | T | 22.5 | Very low | 29.4 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | 5.9 | 139.4 | 141.8 | 3 | 0 | 0 | 0 | 0 | 118 | ||||
| 420 | V | 26.7 | Very low | 29.2 | Very low | 124 Ų | 124 | 131.3 Ų | 131.3 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | -159.4 | 143.2 | 63.5 | 165.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 421 | S | 29.9 | Very low | 28.3 | Very low | 113 Ų | 113 | 131 Ų | 131 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | trans | -111 | 148.5 | 151.3 | -51.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 422 | P | 38.3 | Very low | 28.3 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | -154.6 | 139 | 102.1 | 37.3 | -18.5 | 0 | 0 | 0 | 118.1 | |||||
| 423 | A | 25.5 | Very low | 28.2 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | 53 | 160.9 | 121.9 | 0 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 424 | E | 26.4 | Very low | 28.2 | Very low | 178 Ų | 178 | 133.6 Ų | 133.6 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | trans | 82.2 | 116.5 | 163.1 | -48.9 | -153.8 | 150.8 | 0 | 0 | 116.7 | ||||
| 425 | K | 26.1 | Very low | 28.1 | Very low | 192 Ų | 192 | 137.5 Ų | 137.5 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | 96.1 | 157.8 | 50 | -94.5 | -169.7 | 173.9 | -174.5 | 0 | 112.4 | |||||
| 426 | P | 42.2 | Very low | 28 | Very low | 102 Ų | 102 | 140 Ų | 140 | 66% | 0.662 | 75% | 0.751 | S | S | * | * | cis | -136.1 | -153.8 | -6.6 | 36.7 | -14.2 | 0 | 0 | 0 | 114.1 | ||||
| 427 | T | 26.6 | Very low | 28.1 | Very low | 102 Ų | 102 | 143.8 Ų | 143.8 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | trans | 69.8 | 113.9 | 156.6 | 46.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 428 | E | 28 | Very low | 28.3 | Very low | 172 Ų | 172 | 147.2 Ų | 147.2 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | 87.6 | 143.6 | 71.6 | -78.1 | 163.8 | -149.5 | 0 | 0 | 112.4 | |||||
| 429 | E | 29.2 | Very low | 28.7 | Very low | 139 Ų | 139 | 151.9 Ų | 151.9 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | cis | -155.7 | 161.3 | 14.2 | -136.8 | -163.1 | 178.4 | 0 | 0 | 113.6 | ||||
| 430 | K | 29.3 | Very low | 29.2 | Very low | 144 Ų | 144 | 155 Ų | 155 | 63% | 0.626 | 78% | 0.781 | S | S | * | * | trans | 70.8 | 130 | 148.4 | -80.7 | -167.2 | 177.3 | 72.3 | 0 | 125.3 | ||||
| 431 | N | 25.7 | Very low | 29.5 | Very low | 113 Ų | 113 | 159 Ų | 159 | 60% | 0.604 | 79% | 0.788 | S | S | * | * | trans | 74.4 | 146.4 | 138.1 | -73 | 57.9 | 0 | 0 | 0 | 121.9 | ||||
| 432 | E | 26.6 | Very low | 29.7 | Very low | 146 Ų | 146 | 162.9 Ų | 162.9 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | cis | -178.4 | 161.3 | -35.7 | -115.8 | 159.7 | -166.1 | 0 | 0 | 108.1 | ||||
| 433 | E | 26.4 | Very low | 29.6 | Very low | 180 Ų | 180 | 167 Ų | 167 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | trans | 66.5 | 143 | 169.7 | -63.2 | 164.7 | -177.6 | 0 | 0 | 116.1 | ||||
| 434 | E | 27.5 | Very low | 29.9 | Very low | 188 Ų | 188 | 169.4 Ų | 169.4 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | cis | -133.8 | 110.5 | 2 | -61.6 | 177.7 | 109.5 | 0 | 0 | 110.7 | ||||
| 435 | E | 27.4 | Very low | 30.4 | Very low | 192 Ų | 192 | 170.4 Ų | 170.4 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | trans | -159.8 | 74.4 | 163.2 | -156.2 | 166.8 | -130.1 | 0 | 0 | 112.9 | ||||
| 436 | Q | 25.5 | Very low | 30.8 | Very low | 187 Ų | 187 | 166.5 Ų | 166.5 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -167.2 | 97.3 | 167.7 | -122.4 | 154.6 | 77.9 | 0 | 0 | 111.6 | ||||
| 437 | K | 28.1 | Very low | 30.3 | Very low | 203 Ų | 203 | 166 Ų | 166 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -159.9 | 40.9 | 173.1 | -137.7 | 176.7 | -170.7 | 174.5 | 0 | 117.8 | ||||
| 438 | E | 30.8 | Very low | 30.5 | Very low | 195 Ų | 195 | 172.9 Ų | 172.9 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -154 | 29.7 | 160.4 | -123.1 | 157.7 | -142.8 | 0 | 0 | 116.4 | ||
| 439 | E | 34.7 | Very low | 30.6 | Very low | 197 Ų | 197 | 171.2 Ų | 171.2 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | trans | -106.1 | 47.4 | 170.1 | -70.9 | -163.4 | 139.4 | 0 | 0 | 113.1 | ||||
| 440 | E | 32.6 | Very low | 30.5 | Very low | 189 Ų | 189 | 169.7 Ų | 169.7 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | trans | -144.5 | 59.6 | 173.4 | -155.3 | 175.3 | -133.8 | 0 | 0 | 112.7 | ||||
| 441 | K | 33.5 | Very low | 30.4 | Very low | 207 Ų | 207 | 173.9 Ų | 173.9 | 90% | 0.9 | 85% | 0.847 | S | S | * | * | S | Bend | trans | -150.2 | 11.9 | 171.7 | -128 | 169.8 | -170.8 | 172.4 | 0 | 118.5 | ||
| 442 | E | 33.5 | Very low | 30.5 | Very low | 195 Ų | 195 | 174.9 Ų | 174.9 | 91% | 0.911 | 86% | 0.858 | S | S | * | * | S | Bend | trans | -118.8 | 40.9 | 176.6 | -152.5 | 170.9 | -144.4 | 0 | 0 | 113.9 | ||
| 443 | Q | 35.2 | Very low | 30.6 | Very low | 196 Ų | 196 | 176 Ų | 176 | 92% | 0.916 | 86% | 0.862 | S | S | * | * | S | Bend | trans | -127.5 | 41 | 166.4 | -69.4 | -162.7 | 18.2 | 0 | 0 | 113.4 | ||
| 444 | D | 33.5 | Very low | 30.8 | Very low | 141 Ų | 141 | 173.5 Ų | 173.5 | 75% | 0.754 | 86% | 0.862 | S | S | * | * | S | Bend | trans | -153.6 | 71.1 | 161.5 | -141.8 | -9.1 | 0 | 0 | 0 | 114.8 | ||
| 445 | K | 36.9 | Very low | 31 | Very low | 199 Ų | 199 | 171.1 Ų | 171.1 | 87% | 0.865 | 86% | 0.86 | S | S | * | * | trans | -159.2 | 9 | 163.1 | -112.3 | 155 | -167.9 | 177.2 | 0 | 116.7 | S447 | K445-S447 PolarHBondContact O-N 3.49Š| ||
| 446 | A | 34.4 | Very low | 31.4 | Very low | 109 Ų | 109 | 167.3 Ų | 167.3 | 90% | 0.901 | 85% | 0.853 | S | S | * | * | trans | -83.6 | 43.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 447 | S | 30.6 | Very low | 31.5 | Very low | 92 Ų | 92 | 167.9 Ų | 167.9 | 64% | 0.643 | 86% | 0.855 | S | S | * | * | trans | -136.5 | 38.4 | -164 | 54.4 | 0 | 0 | 0 | 0 | 115 | K445 | K445-S447 PolarHBondContact O-N 3.49Š| ||
| 448 | R | 30.9 | Very low | 31.5 | Very low | 246 Ų | 246 | 165.1 Ų | 165.1 | 93% | 0.928 | 86% | 0.855 | S | S | * | * | trans | -152.5 | 45.4 | 175.6 | -119 | 162.4 | -170.6 | 175.4 | 1.6 | 117.7 | ||||
| 449 | T | 29.8 | Very low | 31.4 | Very low | 137 Ų | 137 | 166.9 Ų | 166.9 | 84% | 0.84 | 85% | 0.854 | S | S | * | * | trans | -96.4 | 88.3 | 172 | 42.2 | 0 | 0 | 0 | 0 | 112.7 | R451 | T449-R451 VanDerWaalsContact C-N 3.26Å; T449-R451 PolarHBondContact O-N 2.99Å | ||
| 450 | A | 27.6 | Very low | 31 | Very low | 107 Ų | 107 | 166.7 Ų | 166.7 | 88% | 0.884 | 85% | 0.853 | S | S | * | * | trans | -78.2 | 59.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 451 | R | 26.9 | Very low | 30.7 | Very low | 232 Ų | 232 | 162.2 Ų | 162.2 | 88% | 0.875 | 85% | 0.848 | S | S | * | * | trans | -88.7 | 112.8 | 175.5 | -171 | 171.7 | -176 | 156.2 | 2.8 | 111.4 | T449 | T449-R451 VanDerWaalsContact C-N 3.26Å; T449-R451 PolarHBondContact O-N 2.99Å | ||
| 452 | V | 27.8 | Very low | 30.5 | Very low | 135 Ų | 135 | 157.2 Ų | 157.2 | 82% | 0.818 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 133.3 | 177.7 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | ||
| 453 | Q | 28.8 | Very low | 30.3 | Very low | 168 Ų | 168 | 152.4 Ų | 152.4 | 79% | 0.785 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 147.3 | 168.8 | -64.1 | -170.2 | 20.7 | 0 | 0 | 111.1 | ||
| 454 | P | 31.8 | Very low | 29.9 | Very low | 128 Ų | 128 | 152.4 Ų | 152.4 | 83% | 0.831 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 132 | 173.5 | 30.9 | -33.6 | 0 | 0 | 0 | 111.7 | ||
| 455 | T | 30.9 | Very low | 29.7 | Very low | 138 Ų | 138 | 151.1 Ų | 151.1 | 85% | 0.847 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 160.1 | 174.5 | 26.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 456 | P | 35.8 | Very low | 30.2 | Very low | 113 Ų | 113 | 147.2 Ų | 147.2 | 73% | 0.734 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 165.8 | -152.2 | 36.7 | -37.7 | 0 | 0 | 0 | 115.8 | ||
| 457 | Q | 28.6 | Very low | 29.8 | Very low | 198 Ų | 198 | 148.1 Ų | 148.1 | 93% | 0.925 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 135.7 | 170.4 | -65.2 | 178.3 | -9.6 | 0 | 0 | 111.5 | ||
| 458 | T | 26.7 | Very low | 29.6 | Very low | 145 Ų | 145 | 148.3 Ų | 148.3 | 89% | 0.89 | 84% | 0.843 | S | S | * | * | trans | -105.7 | 153.7 | 170.1 | -52.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 459 | R | 29.8 | Very low | 30.2 | Very low | 232 Ų | 232 | 141.3 Ų | 141.3 | 88% | 0.875 | 83% | 0.829 | S | S | * | * | trans | -130.4 | 135 | -162.5 | -179.5 | -169.7 | -170.3 | -170.4 | 4.6 | 112.2 | ||||
| 460 | E | 25.8 | Very low | 30.1 | Very low | 194 Ų | 194 | 142.2 Ų | 142.2 | 91% | 0.907 | 83% | 0.829 | S | S | * | * | trans | 176.5 | 160.1 | 143.8 | -100.9 | 169.8 | -149.6 | 0 | 0 | 108.9 | ||||
| 461 | A | 26 | Very low | 30.2 | Very low | 95 Ų | 95 | 141.6 Ų | 141.6 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | cis | -139.1 | -177.7 | 15.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 462 | A | 28.5 | Very low | 30.5 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | -51.5 | 154 | -168 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 463 | A | 29.4 | Very low | 30.8 | Very low | 95 Ų | 95 | 141 Ų | 141 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | trans | -161.1 | 117 | 136.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 464 | E | 28 | Very low | 31.3 | Very low | 195 Ų | 195 | 142.9 Ų | 142.9 | 91% | 0.911 | 83% | 0.829 | S | S | * | * | trans | 51.5 | -176.7 | 152.3 | -56 | -166.7 | 140.3 | 0 | 0 | 121.9 | ||||
| 465 | S | 29.5 | Very low | 31.4 | Very low | 114 Ų | 114 | 142.6 Ų | 142.6 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | trans | -158.7 | -169 | -160.9 | -50.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 466 | P | 47.5 | Very low | 31.4 | Very low | 118 Ų | 118 | 145.4 Ų | 145.4 | 77% | 0.766 | 83% | 0.828 | S | S | * | * | cis | -133.4 | 167.5 | -15.2 | 40.3 | -24.6 | 0 | 0 | 0 | 115.4 | ||||
| 467 | S | 25.6 | Very low | 31.2 | Very low | 128 Ų | 128 | 149.4 Ų | 149.4 | 90% | 0.895 | 84% | 0.837 | S | S | * | * | trans | 174.9 | 161.7 | 140.1 | 41 | 0 | 0 | 0 | 0 | 113 | ||||
| 468 | A | 25.9 | Very low | 31.3 | Very low | 95 Ų | 95 | 149.8 Ų | 149.8 | 79% | 0.785 | 84% | 0.836 | S | S | * | * | trans | -154.9 | -173.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 469 | P | 43.3 | Very low | 31.6 | Very low | 99 Ų | 99 | 151.9 Ų | 151.9 | 64% | 0.643 | 84% | 0.836 | S | S | * | * | cis | -141.5 | -173.3 | 0.5 | 44.6 | -26.3 | 0 | 0 | 0 | 116.8 | ||||
| 470 | N | 28.4 | Very low | 31.6 | Very low | 157 Ų | 157 | 144.9 Ų | 144.9 | 84% | 0.84 | 83% | 0.828 | S | S | * | * | trans | 71 | 155 | 158.2 | -61.7 | -15.3 | 0 | 0 | 0 | 118.4 | ||||
| 471 | A | 30.1 | Very low | 32.2 | Very low | 93 Ų | 93 | 139.9 Ų | 139.9 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | cis | -146.9 | 173 | 5.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 472 | D | 31.7 | Very low | 33.2 | Very low | 152 Ų | 152 | 143.1 Ų | 143.1 | 81% | 0.813 | 82% | 0.824 | S | S | * | * | trans | -65.3 | 148.8 | -179.6 | -58.5 | -99.6 | 0 | 0 | 0 | 117.4 | ||||
| 473 | K | 34.7 | Very low | 33.9 | Very low | 203 Ų | 203 | 146.9 Ų | 146.9 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | -177 | 141.2 | 120.5 | -96.8 | 149.3 | -169.2 | 170.2 | 0 | 113.9 | |||||
| 474 | K | 39 | Very low | 35.4 | Very low | 207 Ų | 207 | 148.4 Ų | 148.4 | 90% | 0.9 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 140.8 | 166.6 | -67.9 | -178.1 | 177.5 | -178.4 | 0 | 111.6 | ||
| 475 | P | 34.7 | Very low | 36.7 | Very low | 123 Ų | 123 | 147.3 Ų | 147.3 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 171.8 | 147.3 | 34.1 | -26.6 | 0 | 0 | 0 | 111.6 | ||
| 476 | K | 31.7 | Very low | 37.7 | Very low | 197 Ų | 197 | 148.1 Ų | 148.1 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 151.9 | -174.9 | -62.3 | 173 | 179.4 | 177.7 | 0 | 111.7 | ||
| 477 | Q | 29.8 | Very low | 38.1 | Very low | 196 Ų | 196 | 144.7 Ų | 144.7 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 135.6 | 162 | -78.9 | 166.7 | -76 | 0 | 0 | 110 | ||
| 478 | F | 32 | Very low | 39.6 | Very low | 207 Ų | 207 | 142.3 Ų | 142.3 | 91% | 0.908 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 126.9 | 151.7 | -106.7 | -95.9 | 0 | 0 | 0 | 106.7 | ||
| 479 | Q | 31.8 | Very low | 41.4 | Very low | 188 Ų | 188 | 141 Ų | 141 | 88% | 0.879 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 123.9 | 172.2 | -168.6 | 164.6 | -3.3 | 0 | 0 | 107.3 | ||
| 480 | A | 31.1 | Very low | 42.3 | Very low | 86 Ų | 86 | 140.4 Ų | 140.4 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -74 | 144.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 481 | A | 38.8 | Very low | 44 | Very low | 89 Ų | 89 | 141.5 Ų | 141.5 | 74% | 0.736 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 146.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 482 | D | 45.8 | Very low | 46 | Very low | 163 Ų | 163 | 142.9 Ų | 142.9 | 87% | 0.872 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 154.4 | 171.5 | -61.6 | -66.9 | 0 | 0 | 0 | 110.9 | ||
| 483 | R | 43.6 | Very low | 47.6 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 68% | 0.679 | 69% | 0.688 | S | S | * | * | trans | -134.2 | 111.1 | -160.8 | -163 | -172.9 | -148 | 106 | 4.1 | 109.8 | E485 | R483-E485 PolarHBondContact O-N 3.22Å; R483-E485 VanDerWaalsContact O-N 3.12Å | ||
| 484 | D | 60.9 | Low | 48.9 | Very low | 127 Ų | 127 | 137 Ų | 137 | 68% | 0.679 | 68% | 0.678 | S | S | * | * | trans | -54.6 | 115.7 | -172.1 | -46.6 | -56.9 | 0 | 0 | 0 | 111.4 | E486 S487 | D484-E486 PolarHBondContact O-N 3.4Å; D484-S487 WeakPolarHBondContact O-CB 3.37Å; D484-S487 PolarHBondContact O-N 3.48Å; D484-S487 PolarHBondContact O-OG 3.25Å | ||
| 485 | E | 55.5 | Low | 49.9 | Very low | 171 Ų | 171 | 130.9 Ų | 130.9 | 80% | 0.799 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -62.8 | -29.6 | -174.7 | -66.1 | -153.5 | 127.2 | 0 | 0 | 112.3 | R483 S487 E488 S489 | R483-E485 PolarHBondContact O-N 3.22Å; R483-E485 VanDerWaalsContact O-N 3.12Å; E485-S487 VanDerWaalsContact C-N 3.27Å; E485-S487 PolarHBondContact O-N 2.81Å; E485-E488 CarbonylContact O-C 3.58Å; E485-E488 WeakPolarHBondContact O-CA 3.41Å; E485-E488 PolarHBondContact O-N 2.76Å; E485-S489 PolarHBondContact O-N 2.86Å |
| 486 | E | 50.8 | Low | 51.4 | Low | 132 Ų | 132 | 134 Ų | 134 | 62% | 0.617 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -59.5 | -37.5 | 173.2 | -156.2 | -159.8 | 146.3 | 0 | 0 | 111.9 | D484 E488 S489 Q490 | D484-E486 PolarHBondContact O-N 3.4Å; E486-E488 VanDerWaalsContact C-N 3.27Å; E486-E488 PolarHBondContact O-N 2.95Å; E486-S489 WeakPolarHBondContact CA-OG 3.49Å; E486-S489 PolarHBondContact O-N 3.28Å; E486-S489 PolarHBondContact O-OG 3.42Å; E486-Q490 WeakPolarHBondContact O-CB 3.41Å; E486-Q490 VanDerWaalsContact O-CG 3.29Å; E486-Q490 WeakPolarHBondContact O-CG 3.4Å; E486-Q490 PolarHBondContact O-N 3.34Å; E486-Q490 PolarHBondContact OE1-NE2 2.93Å |
| 487 | S | 54.8 | Low | 52.8 | Low | 46 Ų | 46 | 130.1 Ų | 130.1 | 32% | 0.322 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -67.8 | -28.4 | 176.1 | 81.6 | 0 | 0 | 0 | 0 | 112.3 | D484 E485 R491 | D484-S487 WeakPolarHBondContact O-CB 3.37Å; D484-S487 PolarHBondContact O-N 3.48Å; D484-S487 PolarHBondContact O-OG 3.25Å; E485-S487 VanDerWaalsContact C-N 3.27Å; E485-S487 PolarHBondContact O-N 2.81Å; S487-R491 WeakPolarHBondContact O-CB 3.41Å; S487-R491 WeakPolarHBondContact O-CD 3.32Å; S487-R491 WeakPolarHBondContact O-CG 3.41Å; S487-R491 PolarHBondContact O-N 3.06Å |
| 488 | E | 57.3 | Low | 53.9 | Low | 78 Ų | 78 | 126.8 Ų | 126.8 | 36% | 0.364 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -82.3 | -36.7 | 173.3 | -88.9 | -141.8 | -175.7 | 0 | 0 | 113 | E485 E486 R491 K492 | E485-E488 CarbonylContact O-C 3.58Å; E485-E488 WeakPolarHBondContact O-CA 3.41Å; E485-E488 PolarHBondContact O-N 2.76Å; E486-E488 VanDerWaalsContact C-N 3.27Å; E486-E488 PolarHBondContact O-N 2.95Å; E488-R491 PolarHBondContact O-N 2.85Å; E488-K492 WeakPolarHBondContact O-CB 3.49Å; E488-K492 WeakPolarHBondContact O-CD 3.47Å; E488-K492 VanDerWaalsContact O-CG 3.25Å; E488-K492 WeakPolarHBondContact O-CG 3.47Å; E488-K492 PolarHBondContact O-N 3.26Å; E488-K492 WeakPolarHBondContact OE2-CE 3.46Å; E488-K492 IonicContact OE2-NZ 2.76Å; E488-K492 PolarHBondContact OE2-NZ 3.47Å |
| 489 | S | 63.1 | Low | 55 | Low | 66 Ų | 66 | 125.9 Ų | 125.9 | 46% | 0.462 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.7 | -46 | 176.2 | 73 | 0 | 0 | 0 | 0 | 110.5 | E485 E486 R491 K492 A493 | E485-S489 PolarHBondContact O-N 2.86Å; E486-S489 WeakPolarHBondContact CA-OG 3.49Å; E486-S489 PolarHBondContact O-N 3.28Å; E486-S489 PolarHBondContact O-OG 3.42Å; S489-R491 VanDerWaalsContact C-N 3.32Å; S489-R491 PolarHBondContact O-N 3.1Å; S489-K492 PolarHBondContact O-N 2.87Å; S489-A493 WeakPolarHBondContact O-CB 3.29Å; S489-A493 PolarHBondContact O-N 3.43Å |
| 490 | Q | 63.5 | Low | 56.1 | Low | 87 Ų | 87 | 122.8 Ų | 122.8 | 41% | 0.407 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.5 | -36.5 | 173.8 | -68.2 | -175.1 | 24.3 | 0 | 0 | 112.6 | E486 R494 | E486-Q490 WeakPolarHBondContact O-CB 3.41Å; E486-Q490 VanDerWaalsContact O-CG 3.29Å; E486-Q490 WeakPolarHBondContact O-CG 3.4Å; E486-Q490 PolarHBondContact O-N 3.34Å; E486-Q490 PolarHBondContact OE1-NE2 2.93Å; Q490-R494 WeakPolarHBondContact O-CB 3.4Å; Q490-R494 PolarHBondContact O-N 3.43Å |
| 491 | R | 64.2 | Low | 56.9 | Low | 180 Ų | 180 | 121.9 Ų | 121.9 | 68% | 0.679 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.4 | -43.1 | 172.7 | -79.1 | 175.9 | -175.9 | -141.7 | 0.6 | 112.2 | S487 E488 S489 A493 R494 C495 | S487-R491 WeakPolarHBondContact O-CB 3.41Å; S487-R491 WeakPolarHBondContact O-CD 3.32Å; S487-R491 WeakPolarHBondContact O-CG 3.41Å; S487-R491 PolarHBondContact O-N 3.06Å; E488-R491 PolarHBondContact O-N 2.85Å; S489-R491 VanDerWaalsContact C-N 3.32Å; S489-R491 PolarHBondContact O-N 3.1Å; R491-A493 VanDerWaalsContact C-N 3.34Å; R491-A493 PolarHBondContact O-N 3.29Å; R491-R494 PolarHBondContact O-N 2.86Å; R491-C495 WeakPolarHBondContact O-CB 3.5Å; R491-C495 PolarHBondContact O-N 2.93Å; R491-C495 PolarHBondContact O-SG 3.11Å |
| 492 | K | 70.7 | Confident | 57.4 | Low | 122 Ų | 122 | 125.8 Ų | 125.8 | 53% | 0.53 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63 | -40 | 176.3 | -74.4 | 161.3 | -174.4 | 159.5 | 0 | 111.1 | E488 S489 C495 R496 | E488-K492 WeakPolarHBondContact O-CB 3.49Å; E488-K492 WeakPolarHBondContact O-CD 3.47Å; E488-K492 VanDerWaalsContact O-CG 3.25Å; E488-K492 WeakPolarHBondContact O-CG 3.47Å; E488-K492 PolarHBondContact O-N 3.26Å; E488-K492 WeakPolarHBondContact OE2-CE 3.46Å; E488-K492 IonicContact OE2-NZ 2.76Å; E488-K492 PolarHBondContact OE2-NZ 3.47Å; S489-K492 PolarHBondContact O-N 2.87Å; K492-C495 PolarHBondContact O-N 2.79Å; K492-R496 WeakPolarHBondContact O-CG 3.41Å; K492-R496 PolarHBondContact O-N 3.46Å |
| 493 | A | 65.5 | Low | 57.8 | Low | 54 Ų | 54 | 127.9 Ų | 127.9 | 45% | 0.446 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.6 | -54.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S489 R491 C495 R496 L497 | S489-A493 WeakPolarHBondContact O-CB 3.29Å; S489-A493 PolarHBondContact O-N 3.43Å; R491-A493 VanDerWaalsContact C-N 3.34Å; R491-A493 PolarHBondContact O-N 3.29Å; A493-C495 VanDerWaalsContact C-N 3.26Å; A493-C495 PolarHBondContact O-N 3.23Å; A493-R496 WeakPolarHBondContact O-CB 3.36Å; A493-R496 PolarHBondContact O-N 3.14Å; A493-L497 PolarHBondContact O-N 3.09Å |
| 494 | R | 63.4 | Low | 58 | Low | 179 Ų | 179 | 126.7 Ų | 126.7 | 68% | 0.675 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -58.8 | -34.5 | 176.2 | -79.5 | 179.6 | 160.1 | 128.9 | -4.6 | 113 | Q490 R491 M498 | Q490-R494 WeakPolarHBondContact O-CB 3.4Å; Q490-R494 PolarHBondContact O-N 3.43Å; R491-R494 PolarHBondContact O-N 2.86Å; R494-M498 WeakPolarHBondContact O-CB 3.31Å; R494-M498 PolarHBondContact O-N 2.83Å |
| 495 | C | 59.1 | Low | 57.3 | Low | 77 Ų | 77 | 125.8 Ų | 125.8 | 52% | 0.52 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -71.5 | -32.6 | 173.1 | -78.3 | 0 | 0 | 0 | 0 | 114.1 | R491 K492 A493 R499 | R491-C495 WeakPolarHBondContact O-CB 3.5Å; R491-C495 PolarHBondContact O-N 2.93Å; R491-C495 PolarHBondContact O-SG 3.11Å; K492-C495 PolarHBondContact O-N 2.79Å; A493-C495 VanDerWaalsContact C-N 3.26Å; A493-C495 PolarHBondContact O-N 3.23Å; C495-R499 VanDerWaalsContact O-CG 3.3Å; C495-R499 WeakPolarHBondContact O-CG 3.36Å; C495-R499 PolarHBondContact O-N 3.11Å |
| 496 | R | 66.3 | Low | 56.8 | Low | 188 Ų | 188 | 125.6 Ų | 125.6 | 71% | 0.709 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.9 | -47.4 | 170 | -77 | 177.6 | 174.1 | 179.6 | -2.3 | 110.5 | K492 A493 M498 R499 Q500 | K492-R496 WeakPolarHBondContact O-CG 3.41Å; K492-R496 PolarHBondContact O-N 3.46Å; A493-R496 WeakPolarHBondContact O-CB 3.36Å; A493-R496 PolarHBondContact O-N 3.14Å; R496-M498 PolarHBondContact O-N 3.06Å; R496-R499 CarbonylContact O-C 3.53Å; R496-R499 WeakPolarHBondContact O-CA 3.43Å; R496-R499 WeakPolarHBondContact O-CB 3.26Å; R496-R499 PolarHBondContact O-N 2.94Å; R496-Q500 PolarHBondContact O-N 3.36Å; R496-Q500 PolarHBondContact O-OE1 2.87Å |
| 497 | L | 61.2 | Low | 57 | Low | 116 Ų | 116 | 122.6 Ų | 122.6 | 61% | 0.607 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.3 | -42 | -179.2 | -144.9 | 159.3 | 0 | 0 | 0 | 111.7 | A493 R499 Q500 S501 | A493-L497 PolarHBondContact O-N 3.09Å; L497-R499 VanDerWaalsContact C-N 3.27Å; L497-R499 PolarHBondContact O-N 2.96Å; L497-Q500 PolarHBondContact O-N 3.18Å; L497-S501 WeakPolarHBondContact O-CB 3.29Å; L497-S501 PolarHBondContact O-N 3.43Å |
| 498 | M | 53.2 | Low | 56.8 | Low | 126 Ų | 126 | 125.3 Ų | 125.3 | 62% | 0.621 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.6 | -27.6 | 169.6 | -87.6 | -162.6 | 170.4 | 0 | 0 | 114.2 | R494 R496 R502 | R494-M498 WeakPolarHBondContact O-CB 3.31Å; R494-M498 PolarHBondContact O-N 2.83Å; R496-M498 PolarHBondContact O-N 3.06Å; M498-R502 WeakPolarHBondContact O-CB 3.47Å; M498-R502 WeakPolarHBondContact O-CD 3.41Å; M498-R502 VanDerWaalsContact O-CG 3.26Å; M498-R502 WeakPolarHBondContact O-CG 3.35Å; M498-R502 PolarHBondContact O-N 3.44Å |
| 499 | R | 53.8 | Low | 57.2 | Low | 189 Ų | 189 | 124.6 Ų | 124.6 | 71% | 0.713 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -80.3 | -34.5 | 175.8 | -76.5 | 175.6 | 176.6 | -157.7 | -0.2 | 112.2 | C495 R496 L497 R503 | C495-R499 VanDerWaalsContact O-CG 3.3Å; C495-R499 WeakPolarHBondContact O-CG 3.36Å; C495-R499 PolarHBondContact O-N 3.11Å; R496-R499 CarbonylContact O-C 3.53Å; R496-R499 WeakPolarHBondContact O-CA 3.43Å; R496-R499 WeakPolarHBondContact O-CB 3.26Å; R496-R499 PolarHBondContact O-N 2.94Å; L497-R499 VanDerWaalsContact C-N 3.27Å; L497-R499 PolarHBondContact O-N 2.96Å; R499-R503 WeakPolarHBondContact O-CG 3.49Å; R499-R503 PolarHBondContact O-N 3.35Å |
| 500 | Q | 55.2 | Low | 56.6 | Low | 123 Ų | 123 | 128.3 Ų | 128.3 | 58% | 0.575 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.4 | -49 | 170.9 | -73.8 | 162 | -58.6 | 0 | 0 | 110.8 | R496 L497 R502 R503 L504 | R496-Q500 PolarHBondContact O-N 3.36Å; R496-Q500 PolarHBondContact O-OE1 2.87Å; L497-Q500 PolarHBondContact O-N 3.18Å; Q500-R502 VanDerWaalsContact C-N 3.27Å; Q500-R502 PolarHBondContact O-N 3.45Å; Q500-R503 WeakPolarHBondContact O-CB 3.46Å; Q500-R503 PolarHBondContact O-N 2.91Å; Q500-L504 PolarHBondContact O-N 2.94Å |
| 501 | S | 48.3 | Very low | 56.6 | Low | 66 Ų | 66 | 129.1 Ų | 129.1 | 46% | 0.462 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -54.1 | -40.5 | 174.6 | 170.7 | 0 | 0 | 0 | 0 | 112.8 | L497 R503 L504 | L497-S501 WeakPolarHBondContact O-CB 3.29Å; L497-S501 PolarHBondContact O-N 3.43Å; S501-R503 PolarHBondContact O-N 3.38Å; S501-L504 PolarHBondContact O-N 3.28Å |
| 502 | R | 50.5 | Low | 56.5 | Low | 172 Ų | 172 | 125.7 Ų | 125.7 | 65% | 0.649 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.3 | -24 | 175.9 | -76 | 173 | -178 | -101.3 | 0.2 | 114.6 | M498 Q500 | M498-R502 WeakPolarHBondContact O-CB 3.47Å; M498-R502 WeakPolarHBondContact O-CD 3.41Å; M498-R502 VanDerWaalsContact O-CG 3.26Å; M498-R502 WeakPolarHBondContact O-CG 3.35Å; M498-R502 PolarHBondContact O-N 3.44Å; Q500-R502 VanDerWaalsContact C-N 3.27Å; Q500-R502 PolarHBondContact O-N 3.45Å |
| 503 | R | 52.7 | Low | 56 | Low | 207 Ų | 207 | 124.2 Ų | 124.2 | 78% | 0.781 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -74.9 | -31.6 | 172.6 | -74.5 | 177.4 | 175 | -172.2 | -3.4 | 111.9 | R499 Q500 S501 T505 | R499-R503 WeakPolarHBondContact O-CG 3.49Å; R499-R503 PolarHBondContact O-N 3.35Å; Q500-R503 WeakPolarHBondContact O-CB 3.46Å; Q500-R503 PolarHBondContact O-N 2.91Å; S501-R503 PolarHBondContact O-N 3.38Å; R503-T505 PolarHBondContact O-N 2.91Å |
| 504 | L | 48.9 | Very low | 55.7 | Low | 154 Ų | 154 | 128.7 Ų | 128.7 | 81% | 0.806 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -9 | 175.3 | -86.6 | 155.8 | 0 | 0 | 0 | 114.5 | Q500 S501 | Q500-L504 PolarHBondContact O-N 2.94Å; S501-L504 PolarHBondContact O-N 3.28Å |
| 505 | T | 45.5 | Very low | 55.8 | Low | 109 Ų | 109 | 126.7 Ų | 126.7 | 67% | 0.669 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.8 | 19.3 | -176.7 | 65.9 | 0 | 0 | 0 | 0 | 114.4 | R503 | R503-T505 PolarHBondContact O-N 2.91Š|
| 506 | Q | 44.4 | Very low | 55.7 | Low | 166 Ų | 166 | 125.6 Ų | 125.6 | 78% | 0.776 | 63% | 0.629 | S | S | * | * | trans | -97.3 | 112.9 | 165 | -71.6 | -170 | -75.3 | 0 | 0 | 109.1 | ||||
| 507 | G | 54.7 | Low | 55.2 | Low | 70 Ų | 70 | 123.3 Ų | 123.3 | 72% | 0.722 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -72 | 158.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 508 | V | 51.7 | Low | 55.1 | Low | 102 Ų | 102 | 125.6 Ų | 125.6 | 62% | 0.618 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 135.3 | 177.9 | -175.4 | 0 | 0 | 0 | 0 | 111.5 | E512 L513 | V508-E512 HydrophobicContact CG1-CB 3.71Å; V508-L513 HydrophobicContact CG1-CG 4.08Å |
| 509 | T | 66.4 | Low | 55 | Low | 63 Ų | 63 | 124.1 Ų | 124.1 | 39% | 0.387 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -76.1 | 152.3 | -178.9 | 68.5 | 0 | 0 | 0 | 0 | 112 | T511 E512 L513 | T509-T511 WeakPolarHBondContact CB-OG1 3.23Å; T509-T511 PolarHBondContact O-N 3.27Å; T509-T511 VanDerWaalsContact O-N 3.08Å; T509-T511 PolarHBondContact OG1-OG1 2.85Å; T509-E512 WeakPolarHBondContact CA-OE2 3.25Å; T509-E512 VanDerWaalsContact CB-OE2 3.25Å; T509-E512 WeakPolarHBondContact CB-OE2 3.5Å; T509-E512 WeakPolarHBondContact CG2-OE2 3.4Å; T509-E512 PolarHBondContact N-OE2 3.41Å; T509-E512 PolarHBondContact O-N 3.33Å; T509-E512 VanDerWaalsContact O-N 3.11Å; T509-E512 VanDerWaalsContact OG1-CD 3.23Å; T509-E512 WeakPolarHBondContact OG1-CG 3.33Å; T509-E512 PolarHBondContact OG1-N 2.85Å; T509-E512 PolarHBondContact OG1-OE2 3.43Å; T509-L513 PolarHBondContact O-N 3.39Å; T509-L513 VanDerWaalsContact O-N 3.13Å |
| 510 | L | 49.9 | Very low | 54.9 | Low | 145 Ų | 145 | 120.8 Ų | 120.8 | 76% | 0.759 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63.8 | -11.8 | 174.3 | -77.7 | 168.8 | 0 | 0 | 0 | 113.8 | L513 K514 | L510-L513 HydrophobicContact CD2-CD1 4.3Å; L510-K514 PolarHBondContact O-N 2.96Å |
| 511 | T | 63.3 | Low | 54.2 | Low | 103 Ų | 103 | 118.3 Ų | 118.3 | 63% | 0.632 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -76.4 | -49.9 | 169.6 | 20.9 | 0 | 0 | 0 | 0 | 111.7 | T509 L513 K514 E515 | T509-T511 WeakPolarHBondContact CB-OG1 3.23Å; T509-T511 PolarHBondContact O-N 3.27Å; T509-T511 VanDerWaalsContact O-N 3.08Å; T509-T511 PolarHBondContact OG1-OG1 2.85Å; T511-L513 PolarHBondContact O-N 3.17Å; T511-K514 PolarHBondContact O-N 3.34Å; T511-E515 PolarHBondContact O-N 2.88Å |
| 512 | E | 62.9 | Low | 54.1 | Low | 108 Ų | 108 | 124.6 Ų | 124.6 | 51% | 0.505 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -64.5 | -39.5 | 179 | -68.1 | 153.4 | 139.4 | 0 | 0 | 111.5 | V508 T509 K514 E515 A516 | V508-E512 HydrophobicContact CG1-CB 3.71Å; T509-E512 WeakPolarHBondContact CA-OE2 3.25Å; T509-E512 VanDerWaalsContact CB-OE2 3.25Å; T509-E512 WeakPolarHBondContact CB-OE2 3.5Å; T509-E512 WeakPolarHBondContact CG2-OE2 3.4Å; T509-E512 PolarHBondContact N-OE2 3.41Å; T509-E512 PolarHBondContact O-N 3.33Å; T509-E512 VanDerWaalsContact O-N 3.11Å; T509-E512 VanDerWaalsContact OG1-CD 3.23Å; T509-E512 WeakPolarHBondContact OG1-CG 3.33Å; T509-E512 PolarHBondContact OG1-N 2.85Å; T509-E512 PolarHBondContact OG1-OE2 3.43Å; E512-K514 PolarHBondContact O-N 3.38Å; E512-E515 PolarHBondContact O-N 2.95Å; E512-A516 PolarHBondContact O-N 2.63Å |
| 513 | L | 59.2 | Low | 53.6 | Low | 92 Ų | 92 | 121.1 Ų | 121.1 | 48% | 0.482 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -59.9 | -42.2 | 172.9 | -77.5 | 165.9 | 0 | 0 | 0 | 112.5 | V508 T509 L510 T511 E515 A516 E517 | V508-L513 HydrophobicContact CG1-CG 4.08Å; T509-L513 PolarHBondContact O-N 3.39Å; T509-L513 VanDerWaalsContact O-N 3.13Å; L510-L513 HydrophobicContact CD2-CD1 4.3Å; T511-L513 PolarHBondContact O-N 3.17Å; L513-E515 VanDerWaalsContact C-N 3.35Å; L513-A516 PolarHBondContact O-N 2.75Å; L513-E517 WeakPolarHBondContact O-CG 3.38Å; L513-E517 PolarHBondContact O-N 3.48Å |
| 514 | K | 60.1 | Low | 52.7 | Low | 148 Ų | 148 | 115.9 Ų | 115.9 | 64% | 0.643 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -71.3 | -27.9 | 177.1 | -89.3 | -177.4 | 170.9 | 178.6 | 0 | 113.9 | L510 T511 E512 K518 | L510-K514 PolarHBondContact O-N 2.96Å; T511-K514 PolarHBondContact O-N 3.34Å; E512-K514 PolarHBondContact O-N 3.38Å; K514-K518 WeakPolarHBondContact O-CB 3.26Å; K514-K518 PolarHBondContact O-N 3.24Å |
| 515 | E | 65.1 | Low | 51.9 | Low | 137 Ų | 137 | 116.4 Ų | 116.4 | 64% | 0.64 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -71.8 | -39.4 | 174.6 | -160 | 122 | -118.7 | 0 | 0 | 110.5 | T511 E512 L513 K518 S519 | T511-E515 PolarHBondContact O-N 2.88Å; E512-E515 PolarHBondContact O-N 2.95Å; L513-E515 VanDerWaalsContact C-N 3.35Å; E515-K518 WeakPolarHBondContact O-CB 3.39Å; E515-K518 PolarHBondContact O-N 3.04Å; E515-S519 PolarHBondContact O-N 3.17Å |
| 516 | A | 57.1 | Low | 52 | Low | 54 Ų | 54 | 116.7 Ų | 116.7 | 45% | 0.446 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -67.3 | -39.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E512 L513 K518 S519 V520 | E512-A516 PolarHBondContact O-N 2.63Å; L513-A516 PolarHBondContact O-N 2.75Å; A516-K518 PolarHBondContact O-N 2.65Å; A516-S519 PolarHBondContact O-N 2.93Å; A516-S519 PolarHBondContact O-OG 3.27Å; A516-V520 PolarHBondContact O-N 2.87Å |
| 517 | E | 54.8 | Low | 51.5 | Low | 140 Ų | 140 | 114.6 Ų | 114.6 | 65% | 0.654 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -60.3 | -33.5 | 172.7 | -75.5 | -179.6 | 151.7 | 0 | 0 | 112.1 | L513 V520 G521 | L513-E517 WeakPolarHBondContact O-CG 3.38Å; L513-E517 PolarHBondContact O-N 3.48Å; E517-V520 PolarHBondContact O-N 3.48Å; E517-G521 PolarHBondContact O-N 3.2Å |
| 518 | K | 58.6 | Low | 50.8 | Low | 164 Ų | 164 | 117.4 Ų | 117.4 | 71% | 0.713 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -73.2 | -26.7 | -177.5 | -169.5 | -177.1 | 176 | -166.1 | 0 | 113.5 | K514 E515 A516 | K514-K518 WeakPolarHBondContact O-CB 3.26Å; K514-K518 PolarHBondContact O-N 3.24Å; E515-K518 WeakPolarHBondContact O-CB 3.39Å; E515-K518 PolarHBondContact O-N 3.04Å; A516-K518 PolarHBondContact O-N 2.65Å |
| 519 | S | 52.9 | Low | 49.9 | Very low | 95 Ų | 95 | 124.2 Ų | 124.2 | 66% | 0.664 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -81.2 | -27.9 | 174.2 | 56.6 | 0 | 0 | 0 | 0 | 113 | E515 A516 | E515-S519 PolarHBondContact O-N 3.17Å; A516-S519 PolarHBondContact O-N 2.93Å; A516-S519 PolarHBondContact O-OG 3.27Å |
| 520 | V | 50.5 | Low | 48.2 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 72% | 0.715 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -76.2 | -28.8 | 177.3 | 176.6 | 0 | 0 | 0 | 0 | 112.7 | A516 E517 K522 | A516-V520 PolarHBondContact O-N 2.87Å; E517-V520 PolarHBondContact O-N 3.48Å; V520-K522 PolarHBondContact O-N 2.85Å |
| 521 | G | 41.7 | Very low | 47.5 | Very low | 72 Ų | 72 | 127.9 Ų | 127.9 | 74% | 0.742 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 18.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | E517 | E517-G521 PolarHBondContact O-N 3.2Š|
| 522 | K | 45.3 | Very low | 45.9 | Very low | 197 Ų | 197 | 131.5 Ų | 131.5 | 86% | 0.857 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.7 | 35.5 | -172.7 | -148.9 | -178.7 | 178.6 | -176.5 | 0 | 116.3 | V520 | V520-K522 PolarHBondContact O-N 2.85Š|
| 523 | A | 40.4 | Very low | 44.3 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -145.1 | 73.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 524 | A | 33.5 | Very low | 42.8 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | trans | -154.6 | 98.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 525 | D | 32.3 | Very low | 41.3 | Very low | 165 Ų | 165 | 131.4 Ų | 131.4 | 88% | 0.882 | 76% | 0.761 | S | S | * | * | trans | -169 | 113.9 | 142.2 | -121.2 | -9 | 0 | 0 | 0 | 111.2 | ||||
| 526 | P | 46.4 | Very low | 40.6 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | trans | -112.5 | 138.5 | 177.7 | 36.6 | -28.1 | 0 | 0 | 0 | 114 | ||||
| 527 | P | 35.6 | Very low | 39.1 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | trans | -76.1 | 159.3 | 165.8 | 32 | -33.1 | 0 | 0 | 0 | 112.1 | ||||
| 528 | P | 39.8 | Very low | 37.8 | Very low | 130 Ų | 130 | 136 Ų | 136 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | trans | -85.5 | 156.3 | -155 | 32.4 | -37.7 | 0 | 0 | 0 | 116.1 | ||||
| 529 | R | 32.3 | Very low | 36.3 | Very low | 244 Ų | 244 | 134 Ų | 134 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -113.6 | 148.4 | 160.4 | -81.7 | -172 | 170.7 | -169.2 | -1.4 | 111.1 | ||||
| 530 | N | 30 | Very low | 35.1 | Very low | 166 Ų | 166 | 135.6 Ų | 135.6 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | trans | -84.8 | 164.5 | 176 | -157.9 | 0.9 | 0 | 0 | 0 | 111.5 | ||||
| 531 | V | 35.4 | Very low | 34.4 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | trans | -107.6 | 164.5 | -155.6 | -168.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 532 | Q | 30.6 | Very low | 34 | Very low | 179 Ų | 179 | 138.2 Ų | 138.2 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | 101.9 | 145 | 159.5 | -57.6 | -178.4 | 10.6 | 0 | 0 | 115.9 | ||||
| 533 | S | 28.5 | Very low | 33.1 | Very low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | cis | -168.1 | 161.7 | -27.4 | 48.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 534 | V | 28.9 | Very low | 32.6 | Very low | 134 Ų | 134 | 137.5 Ų | 137.5 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | -170.5 | 167.3 | 62.8 | 169.7 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 535 | S | 27.8 | Very low | 32.4 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -75.6 | 178.2 | -175.6 | -41.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 536 | P | 49.8 | Very low | 32.1 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | -111.9 | -175.5 | -150 | 44 | -38.5 | 0 | 0 | 0 | 116 | ||||
| 537 | I | 26.5 | Very low | 31.1 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -168 | 127.2 | 149.2 | -106.1 | 153.1 | 0 | 0 | 0 | 115 | ||||
| 538 | I | 26.8 | Very low | 30.6 | Very low | 156 Ų | 156 | 144.4 Ų | 144.4 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | trans | 48 | 134.5 | 138.7 | -48 | 173.2 | 0 | 0 | 0 | 123 | ||||
| 539 | T | 26.7 | Very low | 30 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | trans | -63.4 | 156.8 | 168.9 | -16.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 540 | V | 28.8 | Very low | 30.3 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | -172.4 | 174.3 | 72.3 | -146.1 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 541 | T | 34.7 | Very low | 30.1 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | trans | -48.8 | 161.7 | 175.3 | 54.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 542 | P | 34.1 | Very low | 29.7 | Very low | 126 Ų | 126 | 140 Ų | 140 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -131.1 | 160.6 | 135.6 | 38.8 | -29.2 | 0 | 0 | 0 | 114.8 | ||||
| 543 | T | 27.2 | Very low | 29.5 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | trans | -117.8 | 160.4 | 173.3 | 46.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 544 | E | 30 | Very low | 29.4 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | 19.2 | 118.1 | 161.7 | -54.3 | -174 | 166.9 | 0 | 0 | 120.8 | ||||
| 545 | R | 28.5 | Very low | 29.3 | Very low | 187 Ų | 187 | 137.6 Ų | 137.6 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | 177.1 | 142.8 | 102.5 | -101.4 | -178.8 | 170.5 | 66.5 | 9.5 | 116.8 | |||||
| 546 | E | 25.9 | Very low | 29.4 | Very low | 136 Ų | 136 | 142.2 Ų | 142.2 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | trans | 42.5 | 124.7 | 136.4 | -67.6 | 170.9 | -128.3 | 0 | 0 | 123.8 | ||||
| 547 | N | 26.3 | Very low | 28.4 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | 92.7 | 128 | 127.8 | -72.7 | -22.8 | 0 | 0 | 0 | 124.9 | |||||
| 548 | E | 24.5 | Very low | 28.5 | Very low | 187 Ų | 187 | 140.1 Ų | 140.1 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | 76.7 | 158.9 | 147.1 | -67.2 | -164.5 | 161.5 | 0 | 0 | 123.2 | ||||
| 549 | T | 26.8 | Very low | 28.7 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -127.3 | 163 | -166.9 | 68.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 550 | P | 38 | Very low | 28.9 | Very low | 118 Ų | 118 | 142.2 Ų | 142.2 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | -154.6 | 173.8 | 105.2 | 37.8 | -18.9 | 0 | 0 | 0 | 118.5 | |||||
| 551 | K | 25.7 | Very low | 28.9 | Very low | 180 Ų | 180 | 144.1 Ų | 144.1 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -27.2 | 169.3 | 153.7 | -63.8 | 162.7 | 161.4 | -171.6 | 0 | 117.8 | ||||
| 552 | Q | 26.7 | Very low | 28.9 | Very low | 137 Ų | 137 | 142.5 Ų | 142.5 | 64% | 0.64 | 78% | 0.78 | S | S | * | * | cis | -154.5 | -169.3 | -3.4 | -123.7 | 161.1 | -79.9 | 0 | 0 | 106.6 | E554 | Q552-E554 PolarHBondContact NE2-OE1 3.35Š| ||
| 553 | A | 27.6 | Very low | 28.7 | Very low | 79 Ų | 79 | 143.1 Ų | 143.1 | 65% | 0.653 | 78% | 0.781 | S | S | * | * | cis | -152.4 | 150 | 8.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 554 | E | 25.6 | Very low | 28.7 | Very low | 162 Ų | 162 | 147 Ų | 147 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | 71.7 | 121 | 88.9 | -65.5 | 172.8 | -143.6 | 0 | 0 | 118.9 | Q552 | Q552-E554 PolarHBondContact NE2-OE1 3.35Š| |||
| 555 | S | 27.9 | Very low | 28.7 | Very low | 124 Ų | 124 | 147.6 Ų | 147.6 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -155.2 | 139.2 | 141.8 | 63.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 556 | E | 28.9 | Very low | 28.9 | Very low | 207 Ų | 207 | 149.9 Ų | 149.9 | 97% | 0.967 | 80% | 0.804 | S | S | * | * | trans | -94.6 | 166.1 | -177.6 | -64.6 | -170.3 | 126.9 | 0 | 0 | 113.4 | ||||
| 557 | G | 28.7 | Very low | 29.2 | Very low | 77 Ų | 77 | 155 Ų | 155 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | 172.5 | 81 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 558 | D | 29.1 | Very low | 29.2 | Very low | 151 Ų | 151 | 160.3 Ų | 160.3 | 81% | 0.807 | 83% | 0.827 | S | S | * | * | trans | -46.7 | 140 | -176.6 | -87.8 | -48.4 | 0 | 0 | 0 | 117.5 | ||||
| 559 | K | 31.8 | Very low | 29.6 | Very low | 182 Ų | 182 | 155.2 Ų | 155.2 | 79% | 0.791 | 83% | 0.826 | S | S | * | * | -171.8 | 142.4 | 106.6 | -99.5 | 147.5 | -165.3 | 163.7 | 0 | 116.5 | |||||
| 560 | N | 29.1 | Very low | 29.7 | Very low | 141 Ų | 141 | 160.3 Ų | 160.3 | 75% | 0.754 | 83% | 0.83 | S | S | * | * | S | Bend | trans | 78 | 116.1 | 151.5 | -63.2 | -7.7 | 0 | 0 | 0 | 120.6 | ||
| 561 | L | 30.2 | Very low | 29.4 | Very low | 168 Ų | 168 | 165.9 Ų | 165.9 | 88% | 0.88 | 84% | 0.836 | S | S | * | * | trans | 63.5 | 93.5 | 149.8 | -54.3 | 179.6 | 0 | 0 | 0 | 117 | V563 | L561-V563 PolarHBondContact O-N 2.8Š| ||
| 562 | G | 34.3 | Very low | 29.5 | Very low | 85 Ų | 85 | 164.3 Ų | 164.3 | 88% | 0.876 | 83% | 0.831 | S | S | * | * | trans | -71.6 | 125 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 563 | V | 29.3 | Very low | 29.9 | Very low | 139 Ų | 139 | 166.9 Ų | 166.9 | 84% | 0.842 | 84% | 0.835 | S | S | * | * | trans | -132.5 | 105.5 | 164 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | L561 | L561-V563 PolarHBondContact O-N 2.8Š| ||
| 564 | K | 28.9 | Very low | 30.2 | Very low | 212 Ų | 212 | 174.2 Ų | 174.2 | 92% | 0.922 | 85% | 0.846 | S | S | * | * | trans | -158.9 | 66 | 169.9 | -139.3 | 171.3 | -167.8 | 172.8 | 0 | 112.9 | ||||
| 565 | D | 28.8 | Very low | 30.6 | Very low | 162 Ų | 162 | 171.6 Ų | 171.6 | 87% | 0.866 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 152 | 173.6 | -139.5 | -30.1 | 0 | 0 | 0 | 111.8 | ||
| 566 | R | 32.2 | Very low | 30.8 | Very low | 236 Ų | 236 | 172.3 Ų | 172.3 | 89% | 0.891 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 149.5 | -177.4 | -89.8 | -180 | 165.6 | 176 | -4.3 | 111.8 | R568 | R566-R568 PolarHBondContact O-N 3Š|
| 567 | R | 31.9 | Very low | 30.8 | Very low | 243 Ų | 243 | 165.9 Ų | 165.9 | 92% | 0.917 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 120.1 | 172.7 | -64.3 | 170.7 | 170.8 | 174.9 | -5.6 | 111.7 | ||
| 568 | R | 28 | Very low | 30.7 | Very low | 245 Ų | 245 | 169.6 Ų | 169.6 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | 169.7 | 137 | 115.5 | -94.7 | 179 | 172.3 | -160.3 | -2.4 | 113.6 | R566 | R566-R568 PolarHBondContact O-N 3Š| |||
| 569 | G | 31.4 | Very low | 30.8 | Very low | 81 Ų | 81 | 169.2 Ų | 169.2 | 84% | 0.835 | 84% | 0.837 | S | S | * | * | trans | 84.2 | 157.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 570 | R | 28.7 | Very low | 30.6 | Very low | 237 Ų | 237 | 168.9 Ų | 168.9 | 89% | 0.894 | 84% | 0.838 | S | S | * | * | cis | -159.3 | 156.2 | 16 | -177.4 | -174.2 | 174.5 | 171.1 | 1.5 | 110.4 | ||||
| 571 | R | 32.8 | Very low | 30.6 | Very low | 235 Ų | 235 | 170 Ų | 170 | 89% | 0.887 | 84% | 0.844 | S | S | * | * | trans | -54.7 | 134 | 164.9 | -80.5 | 179.8 | 168.9 | 178.1 | -4.8 | 111.7 | ||||
| 572 | E | 28.3 | Very low | 30.5 | Very low | 147 Ų | 147 | 165.8 Ų | 165.8 | 69% | 0.687 | 84% | 0.841 | S | S | * | * | trans | -69.7 | 154 | 156.8 | -68.3 | -156.8 | 120.2 | 0 | 0 | 110.4 | ||||
| 573 | R | 33.8 | Very low | 30.7 | Very low | 191 Ų | 191 | 167.3 Ų | 167.3 | 72% | 0.721 | 84% | 0.837 | S | S | * | * | cis | -144.6 | 141.8 | -12.8 | -102.7 | 162.7 | -162.8 | -160.2 | 11.4 | 105.5 | ||||
| 574 | R | 35.3 | Very low | 30.7 | Very low | 234 Ų | 234 | 169.5 Ų | 169.5 | 88% | 0.883 | 84% | 0.839 | S | S | * | * | 42.6 | 134.4 | 92.1 | -62.1 | -172.5 | -176.1 | -127.6 | 5.4 | 113.6 | |||||
| 575 | S | 33.2 | Very low | 30.8 | Very low | 107 Ų | 107 | 166.6 Ų | 166.6 | 75% | 0.748 | 83% | 0.833 | S | S | * | * | cis | -164.7 | 165.8 | 2 | 36.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 576 | T | 31.2 | Very low | 30.8 | Very low | 138 Ų | 138 | 166.2 Ų | 166.2 | 85% | 0.847 | 83% | 0.831 | S | S | * | * | cis | -152.3 | 174.9 | 48.6 | 47.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 577 | G | 29.5 | Very low | 30.8 | Very low | 73 Ų | 73 | 162.6 Ų | 162.6 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | cis | 148.3 | 100.3 | -3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 578 | I | 28 | Very low | 30.7 | Very low | 154 Ų | 154 | 154.8 Ų | 154.8 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | trans | -112.1 | 140.7 | -177.8 | -73.3 | 174 | 0 | 0 | 0 | 110.1 | Q580 | I578-Q580 HydrophobicContact CG2-CB 4.41Š| ||
| 579 | V | 29.2 | Very low | 31 | Very low | 143 Ų | 143 | 152.8 Ų | 152.8 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | trans | -114.2 | 137.4 | 160.7 | 176.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 580 | Q | 29.5 | Very low | 31 | Very low | 175 Ų | 175 | 153.6 Ų | 153.6 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -135.6 | 133.6 | -178.7 | -173.7 | 174.3 | 2.6 | 0 | 0 | 110 | I578 | I578-Q580 HydrophobicContact CG2-CB 4.41Š| ||
| 581 | L | 27.9 | Very low | 31 | Very low | 166 Ų | 166 | 150.2 Ų | 150.2 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | trans | -146.4 | 148.9 | 173.5 | -81.4 | 174.1 | 0 | 0 | 0 | 109 | ||||
| 582 | G | 28.3 | Very low | 31.1 | Very low | 79 Ų | 79 | 145.4 Ų | 145.4 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | trans | 71.1 | 109 | 155.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 583 | S | 37.7 | Very low | 31.3 | Very low | 116 Ų | 116 | 146 Ų | 146 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | -113.8 | 114.9 | 153 | -179.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 584 | E | 29.4 | Very low | 31.5 | Very low | 186 Ų | 186 | 144.3 Ų | 144.3 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | trans | -134.9 | 166.9 | 166.6 | -67.7 | -165.3 | 118.7 | 0 | 0 | 108.7 | ||||
| 585 | N | 31.3 | Very low | 31.4 | Very low | 151 Ų | 151 | 138.2 Ų | 138.2 | 81% | 0.807 | 82% | 0.818 | S | S | * | * | trans | -95.6 | -173.8 | -153.3 | -48.3 | -56 | 0 | 0 | 0 | 114.7 | ||||
| 586 | D | 28.7 | Very low | 31.9 | Very low | 154 Ų | 154 | 140 Ų | 140 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | trans | 106.5 | 151.3 | 141.4 | -116.9 | 48.4 | 0 | 0 | 0 | 118.8 | ||||
| 587 | D | 32.5 | Very low | 32 | Very low | 159 Ų | 159 | 138.7 Ų | 138.7 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | trans | -77.6 | 161.4 | -162.2 | -62.7 | -49.1 | 0 | 0 | 0 | 114.4 | ||||
| 588 | G | 29.9 | Very low | 32.6 | Very low | 80 Ų | 80 | 142.2 Ų | 142.2 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -177.9 | 105.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 589 | E | 34.5 | Very low | 32.9 | Very low | 203 Ų | 203 | 140.7 Ų | 140.7 | 95% | 0.949 | 82% | 0.82 | S | S | * | * | trans | -77.7 | 138.4 | 162.8 | -58.6 | -177.2 | 122.4 | 0 | 0 | 110.8 | ||||
| 590 | A | 30.4 | Very low | 33.8 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | trans | -170.1 | 103.7 | 149.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 591 | Q | 30.5 | Very low | 34.7 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 78% | 0.78 | 83% | 0.826 | S | S | * | * | trans | 1.6 | 136.5 | 131.9 | -80.8 | 177.3 | -64.9 | 0 | 0 | 121.9 | ||||
| 592 | L | 33 | Very low | 35.6 | Very low | 133 Ų | 133 | 137 Ų | 137 | 70% | 0.696 | 82% | 0.816 | S | S | * | * | trans | 69.7 | 156.2 | 140.9 | -53.6 | 170.3 | 0 | 0 | 0 | 117.5 | ||||
| 593 | E | 33.5 | Very low | 36.6 | Very low | 160 Ų | 160 | 143.6 Ų | 143.6 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | cis | -152.9 | 176.5 | -6.2 | -133 | 163.3 | -148.9 | 0 | 0 | 112.2 | ||||
| 594 | D | 37.7 | Very low | 37.4 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | -20.2 | 136.6 | 177.2 | -70.1 | -16.3 | 0 | 0 | 0 | 122.1 | ||||
| 595 | A | 33.9 | Very low | 38.5 | Very low | 107 Ų | 107 | 142.2 Ų | 142.2 | 88% | 0.884 | 81% | 0.805 | S | S | * | * | trans | -146.4 | 120.6 | 136 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 596 | N | 42.4 | Very low | 39.5 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | trans | -110.4 | 127.3 | -170.1 | 175.1 | 18 | 0 | 0 | 0 | 112.8 | ||||
| 597 | S | 34.9 | Very low | 41 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | -171.7 | 124.6 | 137.4 | 34.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 598 | N | 40.5 | Very low | 42.6 | Very low | 147 Ų | 147 | 130.9 Ų | 130.9 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | trans | 33.9 | 105.2 | 151.4 | -64.9 | -4.2 | 0 | 0 | 0 | 121.7 | ||||
| 599 | S | 35.6 | Very low | 44.7 | Very low | 122 Ų | 122 | 136 Ų | 136 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | -171.4 | 138.5 | 118.1 | 34.8 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 600 | T | 48 | Very low | 47 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 87% | 0.865 | 73% | 0.732 | S | S | * | * | trans | -122.7 | 42.4 | -159.2 | -37.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 601 | E | 47.2 | Very low | 49.4 | Very low | 199 Ų | 199 | 130.7 Ų | 130.7 | 93% | 0.93 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -131.1 | 24.5 | -179.8 | -64 | -169.7 | 150.5 | 0 | 0 | 113.5 | ||
| 602 | G | 48.9 | Very low | 51.8 | Low | 65 Ų | 65 | 127.6 Ų | 127.6 | 67% | 0.67 | 70% | 0.699 | S | S | * | * | trans | -114.8 | 1.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 603 | R | 48.8 | Very low | 54.2 | Low | 219 Ų | 219 | 128.5 Ų | 128.5 | 83% | 0.826 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -97.1 | -37.6 | -166.4 | -70.9 | -171.6 | 176 | -172.6 | -1 | 115.6 | S606 | R603-S606 PolarHBondContact O-N 3.2Š|
| 604 | D | 53.9 | Low | 56.8 | Low | 129 Ų | 129 | 125.2 Ų | 125.2 | 69% | 0.69 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -75.2 | -44 | -165.3 | -55.5 | -34.1 | 0 | 0 | 0 | 113.1 | S606 S607 D608 | D604-S606 PolarHBondContact O-N 3.29Å; D604-S606 VanDerWaalsContact O-N 3.09Å; D604-S607 WeakPolarHBondContact O-CA 3.37Å; D604-S607 VanDerWaalsContact O-CB 3.25Å; D604-S607 WeakPolarHBondContact O-CB 3.35Å; D604-S607 PolarHBondContact O-N 2.77Å; D604-D608 PolarHBondContact O-N 2.76Å; D604-D608 VanDerWaalsContact O-N 3.12Å |
| 605 | L | 52.4 | Low | 59.1 | Low | 144 Ų | 144 | 123.1 Ų | 123.1 | 75% | 0.754 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -57.3 | -28.6 | 176.7 | -70.4 | 170 | 0 | 0 | 0 | 113.5 | Y609 | L605-Y609 PolarHBondContact O-N 2.87Å |
| 606 | S | 53 | Low | 61.7 | Low | 57 Ų | 57 | 121.2 Ų | 121.2 | 40% | 0.399 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -75.1 | -28.9 | 175.1 | -168.1 | 0 | 0 | 0 | 0 | 112.5 | R603 D604 K610 | R603-S606 PolarHBondContact O-N 3.2Å; D604-S606 PolarHBondContact O-N 3.29Å; D604-S606 VanDerWaalsContact O-N 3.09Å; S606-K610 VanDerWaalsContact O-CD 3.28Å; S606-K610 WeakPolarHBondContact O-CD 3.37Å; S606-K610 VanDerWaalsContact O-CG 3.24Å; S606-K610 WeakPolarHBondContact O-CG 3.2Å; S606-K610 PolarHBondContact O-N 3.16Å; S606-K610 PolarHBondContact OG-NZ 3.41Å |
| 607 | S | 60.1 | Low | 64 | Low | 69 Ų | 69 | 118.2 Ų | 118.2 | 48% | 0.483 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -72.4 | -45.5 | 176 | -160.2 | 0 | 0 | 0 | 0 | 111.1 | D604 K610 T611 | D604-S607 WeakPolarHBondContact O-CA 3.37Å; D604-S607 VanDerWaalsContact O-CB 3.25Å; D604-S607 WeakPolarHBondContact O-CB 3.35Å; D604-S607 PolarHBondContact O-N 2.77Å; S607-K610 PolarHBondContact O-N 3.37Å; S607-T611 WeakPolarHBondContact O-CB 3.3Å; S607-T611 PolarHBondContact O-N 2.96Å; S607-T611 PolarHBondContact O-OG1 2.81Å |
| 608 | D | 66.3 | Low | 66.6 | Low | 99 Ų | 99 | 118.7 Ų | 118.7 | 53% | 0.529 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.5 | -43.8 | -179.7 | -72.1 | -19.1 | 0 | 0 | 0 | 112.2 | D604 K610 T611 L612 | D604-D608 PolarHBondContact O-N 2.76Å; D604-D608 VanDerWaalsContact O-N 3.12Å; D608-K610 VanDerWaalsContact C-N 3.33Å; D608-K610 PolarHBondContact O-N 3.14Å; D608-T611 PolarHBondContact O-N 2.88Å; D608-L612 WeakPolarHBondContact O-CB 3.31Å; D608-L612 PolarHBondContact O-N 3.33Å |
| 609 | Y | 73.2 | Confident | 68.8 | Low | 189 Ų | 189 | 116.7 Ų | 116.7 | 74% | 0.741 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.5 | -35.5 | 178.9 | -127.7 | -79.8 | 0 | 0 | 0 | 112.8 | L605 Y613 | L605-Y609 PolarHBondContact O-N 2.87Å; Y609-Y613 WeakPolarHBondContact O-CB 3.36Å; Y609-Y613 PolarHBondContact O-N 3.31Å |
| 610 | K | 82.4 | Confident | 71.2 | Confident | 127 Ų | 127 | 114.5 Ų | 114.5 | 55% | 0.552 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.9 | -41.7 | 172.5 | -73.2 | 168.2 | -174.6 | 160.7 | 0 | 111.3 | S606 S607 D608 Y613 I614 | S606-K610 VanDerWaalsContact O-CD 3.28Å; S606-K610 WeakPolarHBondContact O-CD 3.37Å; S606-K610 VanDerWaalsContact O-CG 3.24Å; S606-K610 WeakPolarHBondContact O-CG 3.2Å; S606-K610 PolarHBondContact O-N 3.16Å; S606-K610 PolarHBondContact OG-NZ 3.41Å; S607-K610 PolarHBondContact O-N 3.37Å; D608-K610 VanDerWaalsContact C-N 3.33Å; D608-K610 PolarHBondContact O-N 3.14Å; K610-Y613 PolarHBondContact O-N 2.98Å; K610-I614 VanDerWaalsContact O-CG1 3.28Å; K610-I614 WeakPolarHBondContact O-CG1 3.18Å; K610-I614 PolarHBondContact O-N 2.81Å |
| 611 | T | 81.1 | Confident | 73.2 | Confident | 61 Ų | 61 | 112.4 Ų | 112.4 | 37% | 0.374 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.7 | -42 | 178.7 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | S607 D608 I614 K615 | S607-T611 WeakPolarHBondContact O-CB 3.3Å; S607-T611 PolarHBondContact O-N 2.96Å; S607-T611 PolarHBondContact O-OG1 2.81Å; D608-T611 PolarHBondContact O-N 2.88Å; T611-I614 PolarHBondContact O-N 3.36Å; T611-K615 WeakPolarHBondContact O-CG 3.43Å; T611-K615 PolarHBondContact O-N 2.8Å |
| 612 | L | 80.4 | Confident | 75.1 | Confident | 101 Ų | 101 | 106 Ų | 106 | 53% | 0.529 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 171.7 | -86 | 162.7 | 0 | 0 | 0 | 112.1 | D608 I614 K615 V616 | D608-L612 WeakPolarHBondContact O-CB 3.31Å; D608-L612 PolarHBondContact O-N 3.33Å; L612-I614 VanDerWaalsContact C-N 3.34Å; L612-I614 PolarHBondContact O-N 2.97Å; L612-K615 PolarHBondContact O-N 3.02Å; L612-V616 WeakPolarHBondContact O-CG2 3.28Å; L612-V616 PolarHBondContact O-N 3.33Å |
| 613 | Y | 84.8 | Confident | 76.9 | Confident | 153 Ų | 153 | 108.1 Ų | 108.1 | 60% | 0.6 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.8 | -40.2 | 178.3 | -178.6 | -110.8 | 0 | 0 | 0 | 112.6 | Y609 K610 L617 | Y609-Y613 WeakPolarHBondContact O-CB 3.36Å; Y609-Y613 PolarHBondContact O-N 3.31Å; K610-Y613 PolarHBondContact O-N 2.98Å; Y613-L617 HydrophobicContact CD1-CD1 3.96Å; Y613-L617 HydrophobicContact CE1-CD1 3.48Å; Y613-L617 VanDerWaalsContact CE1-CD1 3.48Å; Y613-L617 HydrophobicContact CE1-CG 4.32Å; Y613-L617 HydrophobicContact CE2-CD1 4.44Å; Y613-L617 HydrophobicContact CE2-CG 4.45Å; Y613-L617 WeakPolarHBondContact O-CB 3.45Å; Y613-L617 WeakPolarHBondContact O-CG 3.32Å; Y613-L617 PolarHBondContact O-N 3.13Å |
| 614 | I | 86.9 | Confident | 78.7 | Confident | 91 Ų | 91 | 103.5 Ų | 103.5 | 47% | 0.467 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 175.7 | -69.1 | 164.6 | 0 | 0 | 0 | 111.2 | K610 T611 L612 L617 Q618 | K610-I614 VanDerWaalsContact O-CG1 3.28Å; K610-I614 WeakPolarHBondContact O-CG1 3.18Å; K610-I614 PolarHBondContact O-N 2.81Å; T611-I614 PolarHBondContact O-N 3.36Å; L612-I614 VanDerWaalsContact C-N 3.34Å; L612-I614 PolarHBondContact O-N 2.97Å; I614-L617 PolarHBondContact O-N 3.33Å; I614-Q618 WeakPolarHBondContact O-CG 3.36Å; I614-Q618 PolarHBondContact O-N 3.38Å |
| 615 | K | 86.9 | Confident | 80.5 | Confident | 111 Ų | 111 | 102.7 Ų | 102.7 | 48% | 0.483 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.8 | -48.8 | 174.7 | -75.1 | 176.3 | 177.5 | -177.9 | 0 | 112 | T611 L612 L617 Q618 E619 | T611-K615 WeakPolarHBondContact O-CG 3.43Å; T611-K615 PolarHBondContact O-N 2.8Å; L612-K615 PolarHBondContact O-N 3.02Å; K615-L617 VanDerWaalsContact C-N 3.26Å; K615-L617 PolarHBondContact O-N 2.94Å; K615-Q618 WeakPolarHBondContact O-CB 3.37Å; K615-Q618 PolarHBondContact O-N 2.86Å; K615-E619 WeakPolarHBondContact O-CG 3.35Å; K615-E619 PolarHBondContact O-N 2.67Å |
| 616 | V | 88.4 | Confident | 82.1 | Confident | 66 Ų | 66 | 102 Ų | 102 | 40% | 0.4 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -33.9 | 177.9 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | L612 N620 | L612-V616 WeakPolarHBondContact O-CG2 3.28Å; L612-V616 PolarHBondContact O-N 3.33Å; V616-N620 WeakPolarHBondContact O-CB 3.45Å; V616-N620 PolarHBondContact O-N 2.79Å; V616-N620 PolarHBondContact O-ND2 3.48Å |
| 617 | L | 91.1 | Very high | 83.9 | Confident | 82 Ų | 82 | 104.9 Ų | 104.9 | 43% | 0.429 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 171.2 | -80.1 | 173.9 | 0 | 0 | 0 | 112.6 | Y613 I614 K615 N620 M621 | Y613-L617 HydrophobicContact CD1-CD1 3.96Å; Y613-L617 HydrophobicContact CE1-CD1 3.48Å; Y613-L617 VanDerWaalsContact CE1-CD1 3.48Å; Y613-L617 HydrophobicContact CE1-CG 4.32Å; Y613-L617 HydrophobicContact CE2-CD1 4.44Å; Y613-L617 HydrophobicContact CE2-CG 4.45Å; Y613-L617 WeakPolarHBondContact O-CB 3.45Å; Y613-L617 WeakPolarHBondContact O-CG 3.32Å; Y613-L617 PolarHBondContact O-N 3.13Å; I614-L617 PolarHBondContact O-N 3.33Å; K615-L617 VanDerWaalsContact C-N 3.26Å; K615-L617 PolarHBondContact O-N 2.94Å; L617-N620 PolarHBondContact O-N 2.75Å; L617-M621 WeakPolarHBondContact O-CG 3.5Å; L617-M621 PolarHBondContact O-N 3.4Å |
| 618 | Q | 88.8 | Confident | 85.2 | Confident | 121 Ų | 121 | 108 Ų | 108 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.3 | -44.8 | 176.2 | -71.8 | 169.8 | -26.8 | 0 | 0 | 111.6 | I614 K615 N620 M621 T622 | I614-Q618 WeakPolarHBondContact O-CG 3.36Å; I614-Q618 PolarHBondContact O-N 3.38Å; K615-Q618 WeakPolarHBondContact O-CB 3.37Å; K615-Q618 PolarHBondContact O-N 2.86Å; Q618-N620 PolarHBondContact O-N 3.48Å; Q618-M621 PolarHBondContact O-N 3.39Å; Q618-M621 VanDerWaalsContact O-N 3.11Å; Q618-T622 PolarHBondContact O-N 3.27Å; Q618-T622 PolarHBondContact O-OG1 3.47Å |
| 619 | E | 86.6 | Confident | 86.4 | Confident | 104 Ų | 104 | 108.5 Ų | 108.5 | 49% | 0.486 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.6 | -46.5 | 172.4 | -70.9 | 162 | -163.2 | 0 | 0 | 110.9 | K615 M621 T622 L623 | K615-E619 WeakPolarHBondContact O-CG 3.35Å; K615-E619 PolarHBondContact O-N 2.67Å; E619-M621 VanDerWaalsContact C-N 3.26Å; E619-M621 PolarHBondContact O-N 3.49Å; E619-T622 PolarHBondContact O-N 2.99Å; E619-T622 PolarHBondContact O-OG1 2.87Å; E619-L623 WeakPolarHBondContact O-CB 3.39Å; E619-L623 VanDerWaalsContact O-CG 3.26Å; E619-L623 WeakPolarHBondContact O-CG 3.38Å; E619-L623 PolarHBondContact O-N 3.22Å |
| 620 | N | 85.6 | Confident | 86.6 | Confident | 77 Ų | 77 | 104.9 Ų | 104.9 | 41% | 0.412 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.6 | -22.3 | 175.9 | -88.2 | -93.5 | 0 | 0 | 0 | 114.3 | V616 L617 Q618 K624 | V616-N620 WeakPolarHBondContact O-CB 3.45Å; V616-N620 PolarHBondContact O-N 2.79Å; V616-N620 PolarHBondContact O-ND2 3.48Å; L617-N620 PolarHBondContact O-N 2.75Å; Q618-N620 PolarHBondContact O-N 3.48Å; N620-K624 WeakPolarHBondContact O-CD 3.23Å; N620-K624 WeakPolarHBondContact O-CE 3.43Å; N620-K624 VanDerWaalsContact O-CG 3.26Å; N620-K624 WeakPolarHBondContact O-CG 3.45Å |
| 621 | M | 90.9 | Very high | 86.8 | Confident | 96 Ų | 96 | 105.2 Ų | 105.2 | 47% | 0.473 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -79.7 | -49.7 | 172.1 | -70 | -57 | -62 | 0 | 0 | 110.9 | L617 Q618 E619 L623 K624 E625 | L617-M621 WeakPolarHBondContact O-CG 3.5Å; L617-M621 PolarHBondContact O-N 3.4Å; Q618-M621 PolarHBondContact O-N 3.39Å; Q618-M621 VanDerWaalsContact O-N 3.11Å; E619-M621 VanDerWaalsContact C-N 3.26Å; E619-M621 PolarHBondContact O-N 3.49Å; M621-L623 VanDerWaalsContact C-N 3.25Å; M621-L623 PolarHBondContact O-N 2.93Å; M621-K624 WeakPolarHBondContact O-CA 3.46Å; M621-K624 WeakPolarHBondContact O-CB 3.39Å; M621-K624 PolarHBondContact O-N 2.95Å; M621-K624 HydrophobicContact SD-CD 4.22Å; M621-E625 WeakPolarHBondContact O-CG 3.44Å; M621-E625 PolarHBondContact O-N 3.33Å |
| 622 | T | 86.9 | Confident | 87.3 | Confident | 65 Ų | 65 | 107.7 Ų | 107.7 | 40% | 0.399 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.8 | -30.8 | 176.7 | 59.2 | 0 | 0 | 0 | 0 | 113.4 | Q618 E619 E625 K626 | Q618-T622 PolarHBondContact O-N 3.27Å; Q618-T622 PolarHBondContact O-OG1 3.47Å; E619-T622 PolarHBondContact O-N 2.99Å; E619-T622 PolarHBondContact O-OG1 2.87Å; T622-E625 WeakPolarHBondContact CA-OE2 3.5Å; T622-K626 WeakPolarHBondContact O-CB 3.04Å; T622-K626 WeakPolarHBondContact O-CG 3.4Å; T622-K626 PolarHBondContact O-N 3.49Å |
| 623 | L | 86.1 | Confident | 87.3 | Confident | 109 Ų | 109 | 106.6 Ų | 106.6 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.7 | -32.7 | 172 | -74.5 | 170.2 | 0 | 0 | 0 | 112.9 | E619 M621 L627 | E619-L623 WeakPolarHBondContact O-CB 3.39Å; E619-L623 VanDerWaalsContact O-CG 3.26Å; E619-L623 WeakPolarHBondContact O-CG 3.38Å; E619-L623 PolarHBondContact O-N 3.22Å; M621-L623 VanDerWaalsContact C-N 3.25Å; M621-L623 PolarHBondContact O-N 2.93Å; L623-L627 VanDerWaalsContact O-CB 3.3Å; L623-L627 WeakPolarHBondContact O-CB 3.48Å; L623-L627 PolarHBondContact O-N 2.93Å |
| 624 | K | 86.7 | Confident | 87.2 | Confident | 123 Ų | 123 | 105.1 Ų | 105.1 | 54% | 0.535 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -72.9 | -41.2 | 173.3 | -71 | 165.7 | -171 | 170.2 | 0 | 111.6 | N620 M621 L627 Q628 | N620-K624 WeakPolarHBondContact O-CD 3.23Å; N620-K624 WeakPolarHBondContact O-CE 3.43Å; N620-K624 VanDerWaalsContact O-CG 3.26Å; N620-K624 WeakPolarHBondContact O-CG 3.45Å; M621-K624 WeakPolarHBondContact O-CA 3.46Å; M621-K624 WeakPolarHBondContact O-CB 3.39Å; M621-K624 PolarHBondContact O-N 2.95Å; M621-K624 HydrophobicContact SD-CD 4.22Å; K624-L627 PolarHBondContact O-N 3.19Å; K624-Q628 WeakPolarHBondContact O-CB 3.14Å; K624-Q628 PolarHBondContact O-N 3.26Å |
| 625 | E | 92.8 | Very high | 87.2 | Confident | 111 Ų | 111 | 103.8 Ų | 103.8 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.3 | -47.9 | 175.7 | -69.9 | 161.8 | 179.5 | 0 | 0 | 110.5 | M621 T622 L627 Q628 E629 | M621-E625 WeakPolarHBondContact O-CG 3.44Å; M621-E625 PolarHBondContact O-N 3.33Å; T622-E625 WeakPolarHBondContact CA-OE2 3.5Å; E625-L627 PolarHBondContact O-N 2.94Å; E625-Q628 PolarHBondContact O-N 3.33Å; E625-E629 WeakPolarHBondContact O-CB 3.36Å; E625-E629 PolarHBondContact O-N 3.29Å |
| 626 | K | 85 | Confident | 87.1 | Confident | 131 Ų | 131 | 103.4 Ų | 103.4 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63 | -36.6 | 173.9 | -73.4 | 176.3 | 177.6 | -175.7 | 0 | 113.8 | T622 E629 M630 | T622-K626 WeakPolarHBondContact O-CB 3.04Å; T622-K626 WeakPolarHBondContact O-CG 3.4Å; T622-K626 PolarHBondContact O-N 3.49Å; K626-E629 PolarHBondContact O-N 3.05Å; K626-M630 WeakPolarHBondContact O-CB 3.36Å; K626-M630 VanDerWaalsContact O-CG 3.24Å; K626-M630 WeakPolarHBondContact O-CG 3.39Å; K626-M630 PolarHBondContact O-N 3.42Å |
| 627 | L | 90.1 | Very high | 86.4 | Confident | 117 Ų | 117 | 104.8 Ų | 104.8 | 61% | 0.613 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.6 | -40 | 175.9 | -175.5 | 148.9 | 0 | 0 | 0 | 111.3 | L623 K624 E625 M630 E631 | L623-L627 VanDerWaalsContact O-CB 3.3Å; L623-L627 WeakPolarHBondContact O-CB 3.48Å; L623-L627 PolarHBondContact O-N 2.93Å; K624-L627 PolarHBondContact O-N 3.19Å; E625-L627 PolarHBondContact O-N 2.94Å; L627-M630 PolarHBondContact O-N 2.97Å; L627-E631 WeakPolarHBondContact O-CB 3.48Å; L627-E631 PolarHBondContact O-N 2.97Å |
| 628 | Q | 89 | Confident | 86.3 | Confident | 134 Ų | 134 | 107.3 Ų | 107.3 | 63% | 0.626 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.3 | -37.8 | 175.4 | -175.1 | 176.5 | -12.7 | 0 | 0 | 111.9 | K624 E625 E631 Q632 | K624-Q628 WeakPolarHBondContact O-CB 3.14Å; K624-Q628 PolarHBondContact O-N 3.26Å; E625-Q628 PolarHBondContact O-N 3.33Å; Q628-E631 PolarHBondContact O-N 2.9Å; Q628-Q632 WeakPolarHBondContact O-CB 3.44Å; Q628-Q632 PolarHBondContact O-N 3.07Å |
| 629 | E | 89.7 | Confident | 86.3 | Confident | 110 Ų | 110 | 104.8 Ų | 104.8 | 51% | 0.514 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 172.7 | -177.6 | 175.1 | -154.2 | 0 | 0 | 111.6 | E625 K626 E631 Q632 Q633 | E625-E629 WeakPolarHBondContact O-CB 3.36Å; E625-E629 PolarHBondContact O-N 3.29Å; K626-E629 PolarHBondContact O-N 3.05Å; E629-E631 PolarHBondContact O-N 2.84Å; E629-Q632 PolarHBondContact O-N 3.33Å; E629-Q633 WeakPolarHBondContact O-CG 3.48Å; E629-Q633 PolarHBondContact O-N 3.07Å |
| 630 | M | 78.2 | Confident | 86.1 | Confident | 113 Ų | 113 | 104.9 Ų | 104.9 | 56% | 0.557 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.7 | -42.6 | 173.6 | -75.5 | -100.7 | 70.7 | 0 | 0 | 112.3 | K626 L627 Q632 Q633 L634 | K626-M630 WeakPolarHBondContact O-CB 3.36Å; K626-M630 VanDerWaalsContact O-CG 3.24Å; K626-M630 WeakPolarHBondContact O-CG 3.39Å; K626-M630 PolarHBondContact O-N 3.42Å; L627-M630 PolarHBondContact O-N 2.97Å; M630-Q632 VanDerWaalsContact C-N 3.33Å; M630-Q632 PolarHBondContact O-N 2.89Å; M630-Q633 VanDerWaalsContact CE-OE1 3.25Å; M630-Q633 PolarHBondContact O-N 3.37Å; M630-L634 WeakPolarHBondContact O-CB 3.37Å; M630-L634 PolarHBondContact O-N 2.9Å |
| 631 | E | 87.1 | Confident | 85.7 | Confident | 133 Ų | 133 | 106.9 Ų | 106.9 | 62% | 0.621 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.8 | -38.7 | 175.9 | -173.6 | 170.3 | -157.8 | 0 | 0 | 111.5 | L627 Q628 E629 L634 S635 | L627-E631 WeakPolarHBondContact O-CB 3.48Å; L627-E631 PolarHBondContact O-N 2.97Å; Q628-E631 PolarHBondContact O-N 2.9Å; E629-E631 PolarHBondContact O-N 2.84Å; E631-L634 PolarHBondContact O-N 3.06Å; E631-S635 WeakPolarHBondContact O-CB 3.26Å; E631-S635 PolarHBondContact O-N 3.11Å |
| 632 | Q | 91.9 | Very high | 85.2 | Confident | 114 Ų | 114 | 108.3 Ų | 108.3 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.7 | -45.6 | 173.8 | -175.6 | 173.1 | -8.9 | 0 | 0 | 112.1 | Q628 E629 M630 S635 Q636 | Q628-Q632 WeakPolarHBondContact O-CB 3.44Å; Q628-Q632 PolarHBondContact O-N 3.07Å; E629-Q632 PolarHBondContact O-N 3.33Å; M630-Q632 VanDerWaalsContact C-N 3.33Å; M630-Q632 PolarHBondContact O-N 2.89Å; Q632-S635 WeakPolarHBondContact O-CB 3.4Å; Q632-S635 PolarHBondContact O-N 2.85Å; Q632-S635 PolarHBondContact O-OG 3.25Å; Q632-Q636 WeakPolarHBondContact O-CG 3.41Å; Q632-Q636 PolarHBondContact O-N 3.35Å |
| 633 | Q | 80.6 | Confident | 85 | Confident | 77 Ų | 77 | 112.6 Ų | 112.6 | 36% | 0.36 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 175.5 | -70.5 | 175.5 | 9.6 | 0 | 0 | 111.8 | E629 M630 S635 Q636 N637 | E629-Q633 WeakPolarHBondContact O-CG 3.48Å; E629-Q633 PolarHBondContact O-N 3.07Å; M630-Q633 VanDerWaalsContact CE-OE1 3.25Å; M630-Q633 PolarHBondContact O-N 3.37Å; Q633-S635 VanDerWaalsContact C-N 3.29Å; Q633-S635 PolarHBondContact O-N 3.42Å; Q633-Q636 PolarHBondContact O-N 2.82Å; Q633-Q636 VanDerWaalsContact O-N 3.13Å; Q633-N637 VanDerWaalsContact O-CG 3.29Å; Q633-N637 PolarHBondContact O-N 3.33Å; Q633-N637 PolarHBondContact O-OD1 2.85Å |
| 634 | L | 82.1 | Confident | 84.4 | Confident | 122 Ų | 122 | 112.6 Ų | 112.6 | 64% | 0.639 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.7 | -38.9 | 175.7 | -151.9 | 169.9 | 0 | 0 | 0 | 110.9 | M630 E631 K638 | M630-L634 WeakPolarHBondContact O-CB 3.37Å; M630-L634 PolarHBondContact O-N 2.9Å; E631-L634 PolarHBondContact O-N 3.06Å; L634-K638 WeakPolarHBondContact O-CB 3.4Å; L634-K638 PolarHBondContact O-N 3.16Å |
| 635 | S | 86.9 | Confident | 83.8 | Confident | 63 Ų | 63 | 115.1 Ų | 115.1 | 44% | 0.441 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 174 | 83.7 | 0 | 0 | 0 | 0 | 113.1 | E631 Q632 Q633 V639 | E631-S635 WeakPolarHBondContact O-CB 3.26Å; E631-S635 PolarHBondContact O-N 3.11Å; Q632-S635 WeakPolarHBondContact O-CB 3.4Å; Q632-S635 PolarHBondContact O-N 2.85Å; Q632-S635 PolarHBondContact O-OG 3.25Å; Q633-S635 VanDerWaalsContact C-N 3.29Å; Q633-S635 PolarHBondContact O-N 3.42Å; S635-V639 WeakPolarHBondContact O-CG2 3.48Å; S635-V639 PolarHBondContact O-N 2.92Å; S635-V639 VanDerWaalsContact O-N 3.17Å |
| 636 | Q | 84.6 | Confident | 83 | Confident | 104 Ų | 104 | 116.1 Ų | 116.1 | 49% | 0.486 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.1 | -50.9 | 177.1 | -72.1 | 169.3 | -13.7 | 0 | 0 | 110.8 | Q632 Q633 K638 V639 E640 | Q632-Q636 WeakPolarHBondContact O-CG 3.41Å; Q632-Q636 PolarHBondContact O-N 3.35Å; Q633-Q636 PolarHBondContact O-N 2.82Å; Q633-Q636 VanDerWaalsContact O-N 3.13Å; Q636-K638 PolarHBondContact O-N 3.4Å; Q636-V639 PolarHBondContact O-N 3.06Å; Q636-E640 PolarHBondContact O-N 3.24Å |
| 637 | N | 74.6 | Confident | 82.2 | Confident | 95 Ų | 95 | 114.3 Ų | 114.3 | 51% | 0.508 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -57.4 | -37.1 | 176.7 | -66.1 | -3.5 | 0 | 0 | 0 | 111.6 | Q633 E640 L641 | Q633-N637 VanDerWaalsContact O-CG 3.29Å; Q633-N637 PolarHBondContact O-N 3.33Å; Q633-N637 PolarHBondContact O-OD1 2.85Å; N637-E640 PolarHBondContact O-N 3.32Å; N637-L641 WeakPolarHBondContact O-CB 3.46Å; N637-L641 WeakPolarHBondContact O-CG 3.34Å; N637-L641 PolarHBondContact O-N 3.2Å |
| 638 | K | 88 | Confident | 81 | Confident | 135 Ų | 135 | 115.7 Ų | 115.7 | 59% | 0.587 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.3 | -43.5 | 175.5 | -175.4 | 179.3 | 176.1 | -173.7 | 0 | 112.6 | L634 Q636 E640 L641 E642 | L634-K638 WeakPolarHBondContact O-CB 3.4Å; L634-K638 PolarHBondContact O-N 3.16Å; Q636-K638 PolarHBondContact O-N 3.4Å; K638-E640 VanDerWaalsContact C-N 3.29Å; K638-L641 PolarHBondContact O-N 2.88Å; K638-E642 WeakPolarHBondContact O-CB 3.41Å; K638-E642 PolarHBondContact O-N 3Å |
| 639 | V | 89.8 | Confident | 79.8 | Confident | 68 Ų | 68 | 114.5 Ų | 114.5 | 41% | 0.412 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.1 | -34.3 | 175.7 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | S635 Q636 E642 R643 | S635-V639 WeakPolarHBondContact O-CG2 3.48Å; S635-V639 PolarHBondContact O-N 2.92Å; S635-V639 VanDerWaalsContact O-N 3.17Å; Q636-V639 PolarHBondContact O-N 3.06Å; V639-E642 PolarHBondContact O-N 2.98Å; V639-R643 VanDerWaalsContact O-CG 3.31Å; V639-R643 WeakPolarHBondContact O-CG 3.48Å; V639-R643 PolarHBondContact O-N 3.24Å |
| 640 | E | 80.8 | Confident | 78.4 | Confident | 106 Ų | 106 | 112.2 Ų | 112.2 | 50% | 0.495 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.2 | -44.7 | 176.3 | -167.1 | 139.1 | -115.5 | 0 | 0 | 112.3 | Q636 N637 K638 E642 R643 L644 | Q636-E640 PolarHBondContact O-N 3.24Å; N637-E640 PolarHBondContact O-N 3.32Å; K638-E640 VanDerWaalsContact C-N 3.29Å; E640-E642 VanDerWaalsContact C-N 3.3Å; E640-E642 PolarHBondContact O-N 2.88Å; E640-R643 WeakPolarHBondContact O-CB 3.47Å; E640-R643 PolarHBondContact O-N 3.42Å; E640-L644 WeakPolarHBondContact O-CG 3.47Å; E640-L644 PolarHBondContact O-N 3.13Å |
| 641 | L | 78.1 | Confident | 77.3 | Confident | 118 Ų | 118 | 112.4 Ų | 112.4 | 62% | 0.618 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.7 | -39 | 170.5 | -73.7 | 169.6 | 0 | 0 | 0 | 112.3 | N637 K638 L644 R645 | N637-L641 WeakPolarHBondContact O-CB 3.46Å; N637-L641 WeakPolarHBondContact O-CG 3.34Å; N637-L641 PolarHBondContact O-N 3.2Å; K638-L641 PolarHBondContact O-N 2.88Å; L641-L644 PolarHBondContact O-N 3.28Å; L641-R645 VanDerWaalsContact O-CB 3.29Å; L641-R645 WeakPolarHBondContact O-CB 3.44Å; L641-R645 PolarHBondContact O-N 3.01Å |
| 642 | E | 79.9 | Confident | 75.7 | Confident | 127 Ų | 127 | 110.7 Ų | 110.7 | 59% | 0.593 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.2 | -37.1 | 177.9 | -165.7 | 156.2 | -134.9 | 0 | 0 | 111.8 | K638 V639 E640 Q646 | K638-E642 WeakPolarHBondContact O-CB 3.41Å; K638-E642 PolarHBondContact O-N 3Å; V639-E642 PolarHBondContact O-N 2.98Å; E640-E642 VanDerWaalsContact C-N 3.3Å; E640-E642 PolarHBondContact O-N 2.88Å; E642-Q646 WeakPolarHBondContact O-CB 3.34Å; E642-Q646 PolarHBondContact O-N 3.19Å |
| 643 | R | 83.6 | Confident | 73.7 | Confident | 154 Ų | 154 | 108.4 Ų | 108.4 | 58% | 0.581 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.5 | -48.6 | 169.8 | -72.6 | 169.2 | -177.9 | 166.1 | 1.5 | 112.5 | V639 E640 R645 Q646 V647 | V639-R643 VanDerWaalsContact O-CG 3.31Å; V639-R643 WeakPolarHBondContact O-CG 3.48Å; V639-R643 PolarHBondContact O-N 3.24Å; E640-R643 WeakPolarHBondContact O-CB 3.47Å; E640-R643 PolarHBondContact O-N 3.42Å; R643-R645 VanDerWaalsContact C-N 3.29Å; R643-R645 PolarHBondContact O-N 2.93Å; R643-Q646 WeakPolarHBondContact O-CB 3.37Å; R643-Q646 PolarHBondContact O-N 3.46Å; R643-V647 WeakPolarHBondContact O-CG2 3.24Å; R643-V647 PolarHBondContact O-N 2.75Å |
| 644 | L | 73.5 | Confident | 72.5 | Confident | 110 Ų | 110 | 111 Ų | 111 | 58% | 0.576 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -59.8 | -41.8 | 179 | -73.2 | 169.8 | 0 | 0 | 0 | 111 | E640 L641 Q646 V647 W648 | E640-L644 WeakPolarHBondContact O-CG 3.47Å; E640-L644 PolarHBondContact O-N 3.13Å; L641-L644 PolarHBondContact O-N 3.28Å; L644-Q646 VanDerWaalsContact C-N 3.31Å; L644-Q646 PolarHBondContact O-N 3.2Å; L644-V647 PolarHBondContact O-N 3.04Å; L644-W648 WeakPolarHBondContact O-CB 3.41Å; L644-W648 PolarHBondContact O-N 2.97Å |
| 645 | R | 74.6 | Confident | 71.2 | Confident | 176 Ų | 176 | 108.7 Ų | 108.7 | 66% | 0.664 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.6 | -37.1 | 173.9 | -164.9 | 178.9 | -159.5 | -148.3 | 3.4 | 112.6 | L641 R643 Q649 | L641-R645 VanDerWaalsContact O-CB 3.29Å; L641-R645 WeakPolarHBondContact O-CB 3.44Å; L641-R645 PolarHBondContact O-N 3.01Å; R643-R645 VanDerWaalsContact C-N 3.29Å; R643-R645 PolarHBondContact O-N 2.93Å; R645-Q649 WeakPolarHBondContact O-CG 3.49Å; R645-Q649 PolarHBondContact O-N 3.1Å |
| 646 | Q | 74.2 | Confident | 69.5 | Low | 132 Ų | 132 | 110.4 Ų | 110.4 | 62% | 0.617 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -72.2 | -37.4 | 177.7 | -165 | 164.9 | 35.7 | 0 | 0 | 112.2 | E642 R643 L644 Q649 S650 | E642-Q646 WeakPolarHBondContact O-CB 3.34Å; E642-Q646 PolarHBondContact O-N 3.19Å; R643-Q646 WeakPolarHBondContact O-CB 3.37Å; R643-Q646 PolarHBondContact O-N 3.46Å; L644-Q646 VanDerWaalsContact C-N 3.31Å; L644-Q646 PolarHBondContact O-N 3.2Å; Q646-Q649 PolarHBondContact O-N 3.45Å; Q646-S650 PolarHBondContact O-N 3.37Å; Q646-S650 PolarHBondContact O-OG 3.14Å |
| 647 | V | 69.6 | Low | 68 | Low | 92 Ų | 92 | 114.3 Ų | 114.3 | 56% | 0.558 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.5 | -45.9 | 170.5 | 171 | 0 | 0 | 0 | 0 | 110.8 | R643 L644 Q649 S650 Q651 | R643-V647 WeakPolarHBondContact O-CG2 3.24Å; R643-V647 PolarHBondContact O-N 2.75Å; L644-V647 PolarHBondContact O-N 3.04Å; V647-Q649 PolarHBondContact O-N 3.15Å; V647-S650 WeakPolarHBondContact O-CB 3.34Å; V647-S650 PolarHBondContact O-N 3.23Å; V647-S650 VanDerWaalsContact O-N 3.14Å; V647-Q651 PolarHBondContact O-N 3.15Å |
| 648 | W | 63.6 | Low | 67.1 | Low | 147 Ų | 147 | 113.4 Ų | 113.4 | 56% | 0.557 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -60.5 | -43.2 | 177.9 | -171.1 | 82.5 | 0 | 0 | 0 | 112.1 | L644 S650 Q651 E652 | L644-W648 WeakPolarHBondContact O-CB 3.41Å; L644-W648 PolarHBondContact O-N 2.97Å; W648-S650 PolarHBondContact O-N 2.95Å; W648-Q651 WeakPolarHBondContact O-CB 3.4Å; W648-Q651 PolarHBondContact O-N 3.22Å; W648-E652 HydrophobicContact CD2-CG 4.49Å; W648-E652 HydrophobicContact CE3-CG 4.26Å; W648-E652 HydrophobicContact CH2-CG 4.08Å; W648-E652 VanDerWaalsContact CH2-OE1 3.22Å; W648-E652 WeakPolarHBondContact CH2-OE1 3.43Å; W648-E652 HydrophobicContact CZ2-CG 4.32Å; W648-E652 HydrophobicContact CZ3-CG 4.05Å; W648-E652 WeakPolarHBondContact CZ3-OE2 3.44Å; W648-E652 PolarHBondContact O-N 2.89Å |
| 649 | Q | 64.2 | Low | 65.6 | Low | 108 Ų | 108 | 109.9 Ų | 109.9 | 51% | 0.505 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.4 | -31.7 | 173.9 | -75 | -173.2 | -38.9 | 0 | 0 | 113.7 | R645 Q646 V647 S653 | R645-Q649 WeakPolarHBondContact O-CG 3.49Å; R645-Q649 PolarHBondContact O-N 3.1Å; Q646-Q649 PolarHBondContact O-N 3.45Å; V647-Q649 PolarHBondContact O-N 3.15Å; Q649-S653 WeakPolarHBondContact O-CB 3.46Å; Q649-S653 PolarHBondContact O-N 2.87Å; Q649-S653 PolarHBondContact O-OG 2.93Å |
| 650 | S | 61.3 | Low | 63.9 | Low | 63 Ų | 63 | 111.9 Ų | 111.9 | 44% | 0.441 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.8 | -40.7 | 170.5 | -68.2 | 0 | 0 | 0 | 0 | 111.5 | Q646 V647 W648 S653 D654 | Q646-S650 PolarHBondContact O-N 3.37Å; Q646-S650 PolarHBondContact O-OG 3.14Å; V647-S650 WeakPolarHBondContact O-CB 3.34Å; V647-S650 PolarHBondContact O-N 3.23Å; V647-S650 VanDerWaalsContact O-N 3.14Å; W648-S650 PolarHBondContact O-N 2.95Å; S650-S653 WeakPolarHBondContact CA-OG 3.38Å; S650-S653 PolarHBondContact O-N 3.31Å; S650-S653 VanDerWaalsContact O-N 3.13Å; S650-S653 PolarHBondContact O-OG 2.92Å; S650-D654 PolarHBondContact O-N 3.46Å |
| 651 | Q | 54 | Low | 62.8 | Low | 116 Ų | 116 | 110.7 Ų | 110.7 | 54% | 0.542 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62 | -51.5 | 178.1 | -163.7 | 166.7 | 8.4 | 0 | 0 | 111.5 | V647 W648 S653 D654 T655 | V647-Q651 PolarHBondContact O-N 3.15Å; W648-Q651 WeakPolarHBondContact O-CB 3.4Å; W648-Q651 PolarHBondContact O-N 3.22Å; Q651-S653 PolarHBondContact O-N 2.96Å; Q651-S653 VanDerWaalsContact O-N 3.09Å; Q651-D654 PolarHBondContact O-N 2.91Å; Q651-T655 PolarHBondContact O-N 3.37Å; Q651-T655 PolarHBondContact O-OG1 2.88Å; Q651-T655 VanDerWaalsContact O-OG1 3.04Å |
| 652 | E | 53.2 | Low | 62.1 | Low | 98 Ų | 98 | 110.8 Ų | 110.8 | 46% | 0.458 | 55% | 0.547 | S | S | . | . | I | π-helix | trans | -50.9 | -35 | 171.7 | -76.8 | -168.7 | 121.7 | 0 | 0 | 112.9 | W648 | W648-E652 HydrophobicContact CD2-CG 4.49Å; W648-E652 HydrophobicContact CE3-CG 4.26Å; W648-E652 HydrophobicContact CH2-CG 4.08Å; W648-E652 VanDerWaalsContact CH2-OE1 3.22Å; W648-E652 WeakPolarHBondContact CH2-OE1 3.43Å; W648-E652 HydrophobicContact CZ2-CG 4.32Å; W648-E652 HydrophobicContact CZ3-CG 4.05Å; W648-E652 WeakPolarHBondContact CZ3-OE2 3.44Å; W648-E652 PolarHBondContact O-N 2.89Å |
| 653 | S | 51.5 | Low | 61.3 | Low | 66 Ų | 66 | 110.4 Ų | 110.4 | 46% | 0.462 | 55% | 0.549 | S | S | . | . | I | π-helix | trans | -80.7 | -29.4 | -173.2 | 72.8 | 0 | 0 | 0 | 0 | 114.6 | Q649 S650 Q651 | Q649-S653 WeakPolarHBondContact O-CB 3.46Å; Q649-S653 PolarHBondContact O-N 2.87Å; Q649-S653 PolarHBondContact O-OG 2.93Å; S650-S653 WeakPolarHBondContact CA-OG 3.38Å; S650-S653 PolarHBondContact O-N 3.31Å; S650-S653 VanDerWaalsContact O-N 3.13Å; S650-S653 PolarHBondContact O-OG 2.92Å; Q651-S653 PolarHBondContact O-N 2.96Å; Q651-S653 VanDerWaalsContact O-N 3.09Å |
| 654 | D | 54.5 | Low | 60.3 | Low | 131 Ų | 131 | 108.3 Ų | 108.3 | 70% | 0.701 | 55% | 0.546 | S | S | * | . | I | π-helix | trans | -107.4 | -28.9 | -170.5 | -78.1 | -33.4 | 0 | 0 | 0 | 114.5 | S650 Q651 | S650-D654 PolarHBondContact O-N 3.46Å; Q651-D654 PolarHBondContact O-N 2.91Å |
| 655 | T | 54.2 | Low | 60.2 | Low | 73 Ų | 73 | 110.8 Ų | 110.8 | 45% | 0.448 | 55% | 0.547 | S | S | . | . | I | π-helix | trans | -94.4 | -50.5 | -175.8 | 55.9 | 0 | 0 | 0 | 0 | 114.3 | Q651 P658 | Q651-T655 PolarHBondContact O-N 3.37Å; Q651-T655 PolarHBondContact O-OG1 2.88Å; Q651-T655 VanDerWaalsContact O-OG1 3.04Å; T655-P658 WeakPolarHBondContact O-CD 3.48Å |
| 656 | D | 52.4 | Low | 60.2 | Low | 99 Ų | 99 | 109.8 Ų | 109.8 | 53% | 0.529 | 55% | 0.548 | S | S | . | . | I | π-helix | trans | -91 | -29.5 | -157.3 | -60.6 | -3.9 | 0 | 0 | 0 | 113 | A659 L660 | D656-A659 PolarHBondContact O-N 3.41Å; D656-L660 PolarHBondContact O-N 3.44Å |
| 657 | R | 52.2 | Low | 60.3 | Low | 187 Ų | 187 | 109.4 Ų | 109.4 | 71% | 0.706 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -59.2 | -40.2 | -176.5 | -160.1 | 172.5 | -167 | 160.4 | 7.4 | 115.5 | L661 | R657-L661 WeakPolarHBondContact O-CD1 3.37Å; R657-L661 WeakPolarHBondContact O-CG 3.24Å |
| 658 | P | 55.6 | Low | 60.7 | Low | 76 Ų | 76 | 112.2 Ų | 112.2 | 49% | 0.494 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71.6 | -41.2 | 173.5 | 27 | -33.5 | 0 | 0 | 0 | 112.1 | T655 L661 E662 | T655-P658 WeakPolarHBondContact O-CD 3.48Å; P658-L661 PolarHBondContact O-N 3.25Å; P658-E662 PolarHBondContact O-N 2.9Å; P658-E662 VanDerWaalsContact O-N 3.1Å |
| 659 | A | 57.1 | Low | 61.3 | Low | 61 Ų | 61 | 109.5 Ų | 109.5 | 50% | 0.504 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.9 | -45.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D656 L661 E662 L663 | D656-A659 PolarHBondContact O-N 3.41Å; A659-L661 VanDerWaalsContact C-N 3.3Å; A659-L661 PolarHBondContact O-N 3.49Å; A659-E662 PolarHBondContact O-N 3.46Å; A659-E662 VanDerWaalsContact O-N 3.15Å; A659-L663 PolarHBondContact O-N 3.19Å |
| 660 | L | 54.3 | Low | 62.1 | Low | 110 Ų | 110 | 106.9 Ų | 106.9 | 58% | 0.576 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.4 | -40.5 | 177.3 | -154.4 | 84.5 | 0 | 0 | 0 | 111.7 | D656 E662 L663 E664 | D656-L660 PolarHBondContact O-N 3.44Å; L660-E662 VanDerWaalsContact C-N 3.32Å; L660-E662 PolarHBondContact O-N 3.49Å; L660-L663 PolarHBondContact O-N 2.91Å; L660-E664 WeakPolarHBondContact O-CG 3.26Å; L660-E664 PolarHBondContact O-N 3.34Å |
| 661 | L | 58.4 | Low | 62.9 | Low | 80 Ų | 80 | 108.7 Ų | 108.7 | 42% | 0.419 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.3 | -22.5 | 178.3 | -73 | 174.4 | 0 | 0 | 0 | 113.7 | R657 P658 A659 R665 | R657-L661 WeakPolarHBondContact O-CD1 3.37Å; R657-L661 WeakPolarHBondContact O-CG 3.24Å; P658-L661 PolarHBondContact O-N 3.25Å; A659-L661 VanDerWaalsContact C-N 3.3Å; A659-L661 PolarHBondContact O-N 3.49Å; L661-R665 WeakPolarHBondContact O-CD 3.47Å; L661-R665 WeakPolarHBondContact O-CG 3.33Å |
| 662 | E | 62.9 | Low | 64 | Low | 120 Ų | 120 | 109.4 Ų | 109.4 | 56% | 0.561 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -81.3 | -38.7 | 169.3 | -67.3 | -158.1 | 142.5 | 0 | 0 | 111.6 | P658 A659 L660 R665 F666 | P658-E662 PolarHBondContact O-N 2.9Å; P658-E662 VanDerWaalsContact O-N 3.1Å; A659-E662 PolarHBondContact O-N 3.46Å; A659-E662 VanDerWaalsContact O-N 3.15Å; L660-E662 VanDerWaalsContact C-N 3.32Å; L660-E662 PolarHBondContact O-N 3.49Å; E662-R665 WeakPolarHBondContact O-CB 3.4Å; E662-R665 PolarHBondContact O-N 3Å; E662-R665 VanDerWaalsContact O-N 3.15Å; E662-F666 WeakPolarHBondContact O-CD2 3.46Å; E662-F666 PolarHBondContact O-N 3.2Å |
| 663 | L | 62.3 | Low | 65.5 | Low | 119 Ų | 119 | 113 Ų | 113 | 62% | 0.623 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.9 | -48.4 | 175.1 | -165.4 | 68.7 | 0 | 0 | 0 | 111.6 | A659 L660 R665 F666 E667 | A659-L663 PolarHBondContact O-N 3.19Å; L660-L663 PolarHBondContact O-N 2.91Å; L663-R665 PolarHBondContact O-N 3.44Å; L663-F666 PolarHBondContact O-N 3.27Å; L663-F666 VanDerWaalsContact O-N 3.14Å; L663-E667 WeakPolarHBondContact O-CB 3.05Å; L663-E667 PolarHBondContact O-N 3.14Å |
| 664 | E | 63.7 | Low | 66.9 | Low | 111 Ų | 111 | 115.5 Ų | 115.5 | 52% | 0.519 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -55.3 | -35.9 | 172.7 | -78.7 | -173 | 169.9 | 0 | 0 | 112.4 | L660 K668 | L660-E664 WeakPolarHBondContact O-CG 3.26Å; L660-E664 PolarHBondContact O-N 3.34Å; E664-K668 WeakPolarHBondContact O-CB 3.44Å; E664-K668 PolarHBondContact O-N 3.33Å |
| 665 | R | 71.3 | Confident | 68.2 | Low | 162 Ų | 162 | 111.5 Ų | 111.5 | 61% | 0.611 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -72.4 | -42.7 | 177.6 | -75.9 | 169 | -177 | -174.4 | 1.5 | 111.9 | L661 E662 L663 L669 | L661-R665 WeakPolarHBondContact O-CD 3.47Å; L661-R665 WeakPolarHBondContact O-CG 3.33Å; E662-R665 WeakPolarHBondContact O-CB 3.4Å; E662-R665 PolarHBondContact O-N 3Å; E662-R665 VanDerWaalsContact O-N 3.15Å; L663-R665 PolarHBondContact O-N 3.44Å; R665-L669 WeakPolarHBondContact O-CB 3.39Å; R665-L669 VanDerWaalsContact O-CG 3.24Å; R665-L669 WeakPolarHBondContact O-CG 3.46Å; R665-L669 PolarHBondContact O-N 2.97Å |
| 666 | F | 74.1 | Confident | 69.7 | Low | 154 Ų | 154 | 109.5 Ų | 109.5 | 68% | 0.675 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.8 | -45.8 | 175.7 | -93.6 | -79.1 | 0 | 0 | 0 | 111.5 | E662 L663 L669 S670 | E662-F666 WeakPolarHBondContact O-CD2 3.46Å; E662-F666 PolarHBondContact O-N 3.2Å; L663-F666 PolarHBondContact O-N 3.27Å; L663-F666 VanDerWaalsContact O-N 3.14Å; F666-L669 PolarHBondContact O-N 3.17Å; F666-S670 WeakPolarHBondContact O-CB 3.16Å; F666-S670 PolarHBondContact O-N 2.74Å |
| 667 | E | 75.6 | Confident | 71.1 | Confident | 124 Ų | 124 | 110.4 Ų | 110.4 | 58% | 0.579 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.5 | -47.8 | 176.3 | -172.2 | 176.9 | -156.3 | 0 | 0 | 111.2 | L663 L669 S670 L671 | L663-E667 WeakPolarHBondContact O-CB 3.05Å; L663-E667 PolarHBondContact O-N 3.14Å; E667-L669 VanDerWaalsContact C-N 3.31Å; E667-L669 PolarHBondContact O-N 3.09Å; E667-S670 WeakPolarHBondContact O-CA 3.38Å; E667-S670 WeakPolarHBondContact O-CB 3.22Å; E667-S670 PolarHBondContact O-N 3.3Å; E667-L671 HydrophobicContact CG-CD1 4.05Å; E667-L671 HydrophobicContact CG-CG 4.33Å; E667-L671 WeakPolarHBondContact O-CG 3.47Å; E667-L671 PolarHBondContact O-N 3.13Å |
| 668 | K | 77.8 | Confident | 72.7 | Confident | 151 Ų | 151 | 106.6 Ų | 106.6 | 66% | 0.657 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.6 | -39.7 | 176.2 | -177.5 | 172.6 | -177 | 171.3 | 0 | 113 | E664 Q672 | E664-K668 WeakPolarHBondContact O-CB 3.44Å; E664-K668 PolarHBondContact O-N 3.33Å; K668-Q672 VanDerWaalsContact O-CB 3.26Å; K668-Q672 WeakPolarHBondContact O-CB 3.42Å; K668-Q672 PolarHBondContact O-N 2.87Å |
| 669 | L | 77.9 | Confident | 74 | Confident | 91 Ų | 91 | 109.9 Ų | 109.9 | 48% | 0.476 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.2 | -33.9 | 175.2 | -73.8 | 169.4 | 0 | 0 | 0 | 112.4 | R665 F666 E667 R673 | R665-L669 WeakPolarHBondContact O-CB 3.39Å; R665-L669 VanDerWaalsContact O-CG 3.24Å; R665-L669 WeakPolarHBondContact O-CG 3.46Å; R665-L669 PolarHBondContact O-N 2.97Å; F666-L669 PolarHBondContact O-N 3.17Å; E667-L669 VanDerWaalsContact C-N 3.31Å; E667-L669 PolarHBondContact O-N 3.09Å; L669-R673 WeakPolarHBondContact O-CG 3.2Å; L669-R673 PolarHBondContact O-N 3.12Å; L669-R673 VanDerWaalsContact O-N 3.16Å |
| 670 | S | 79 | Confident | 75.4 | Confident | 53 Ų | 53 | 111.6 Ų | 111.6 | 37% | 0.371 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.6 | -49.6 | 173.2 | -174 | 0 | 0 | 0 | 0 | 111.3 | F666 E667 Q672 R673 K674 | F666-S670 WeakPolarHBondContact O-CB 3.16Å; F666-S670 PolarHBondContact O-N 2.74Å; E667-S670 WeakPolarHBondContact O-CA 3.38Å; E667-S670 WeakPolarHBondContact O-CB 3.22Å; E667-S670 PolarHBondContact O-N 3.3Å; S670-Q672 VanDerWaalsContact C-N 3.31Å; S670-Q672 PolarHBondContact O-N 3.09Å; S670-R673 PolarHBondContact O-N 3.45Å; S670-K674 PolarHBondContact O-N 2.81Å |
| 671 | L | 78.4 | Confident | 77 | Confident | 100 Ų | 100 | 112.2 Ų | 112.2 | 52% | 0.524 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.4 | -37.3 | 175.2 | -67.5 | 174.5 | 0 | 0 | 0 | 112 | E667 K674 A675 | E667-L671 HydrophobicContact CG-CD1 4.05Å; E667-L671 HydrophobicContact CG-CG 4.33Å; E667-L671 WeakPolarHBondContact O-CG 3.47Å; E667-L671 PolarHBondContact O-N 3.13Å; L671-K674 PolarHBondContact O-N 3.49Å; L671-A675 WeakPolarHBondContact O-CB 3.43Å; L671-A675 PolarHBondContact O-N 3.18Å |
| 672 | Q | 78.4 | Confident | 78.2 | Confident | 132 Ų | 132 | 112.9 Ų | 112.9 | 62% | 0.617 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.4 | -33.2 | 176.7 | -171.7 | 172.8 | 4.9 | 0 | 0 | 112.9 | K668 S670 G676 | K668-Q672 VanDerWaalsContact O-CB 3.26Å; K668-Q672 WeakPolarHBondContact O-CB 3.42Å; K668-Q672 PolarHBondContact O-N 2.87Å; S670-Q672 VanDerWaalsContact C-N 3.31Å; S670-Q672 PolarHBondContact O-N 3.09Å; Q672-G676 PolarHBondContact O-N 2.93Å |
| 673 | R | 84.3 | Confident | 79.5 | Confident | 174 Ų | 174 | 112.5 Ų | 112.5 | 66% | 0.657 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.1 | -50.5 | 170.9 | -68.8 | -178.9 | -153.4 | 167 | 7.7 | 111.3 | L669 S670 A675 G676 E677 | L669-R673 WeakPolarHBondContact O-CG 3.2Å; L669-R673 PolarHBondContact O-N 3.12Å; L669-R673 VanDerWaalsContact O-N 3.16Å; S670-R673 PolarHBondContact O-N 3.45Å; R673-A675 PolarHBondContact O-N 2.92Å; R673-G676 WeakPolarHBondContact O-CA 3.33Å; R673-G676 PolarHBondContact O-N 3.3Å; R673-E677 WeakPolarHBondContact O-CG 3.38Å; R673-E677 PolarHBondContact O-N 2.79Å |
| 674 | K | 80.3 | Confident | 80.8 | Confident | 118 Ų | 118 | 110.7 Ų | 110.7 | 51% | 0.513 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -56.6 | -36.9 | 177.5 | -69.7 | 179.6 | 178.9 | -178.3 | 0 | 112.3 | S670 L671 L678 | S670-K674 PolarHBondContact O-N 2.81Å; L671-K674 PolarHBondContact O-N 3.49Å; K674-L678 WeakPolarHBondContact O-CB 3.15Å; K674-L678 VanDerWaalsContact O-CG 3.24Å; K674-L678 WeakPolarHBondContact O-CG 3.25Å; K674-L678 PolarHBondContact O-N 3.04Å |
| 675 | A | 82.8 | Confident | 81.8 | Confident | 46 Ų | 46 | 110.4 Ų | 110.4 | 38% | 0.38 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L671 R673 L678 E679 | L671-A675 WeakPolarHBondContact O-CB 3.43Å; L671-A675 PolarHBondContact O-N 3.18Å; R673-A675 PolarHBondContact O-N 2.92Å; A675-L678 PolarHBondContact O-N 3.32Å; A675-E679 WeakPolarHBondContact O-CG 3.28Å; A675-E679 PolarHBondContact O-N 2.96Å |
| 676 | G | 84.4 | Confident | 82.5 | Confident | 31 Ų | 31 | 108.7 Ų | 108.7 | 32% | 0.32 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q672 R673 L678 E679 D680 | Q672-G676 PolarHBondContact O-N 2.93Å; R673-G676 WeakPolarHBondContact O-CA 3.33Å; R673-G676 PolarHBondContact O-N 3.3Å; G676-L678 PolarHBondContact O-N 2.84Å; G676-E679 PolarHBondContact O-N 3.3Å; G676-D680 PolarHBondContact O-N 3.3Å |
| 677 | E | 83.2 | Confident | 83.3 | Confident | 118 Ų | 118 | 106 Ų | 106 | 55% | 0.551 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57.9 | -46.8 | 174 | -70.8 | 158.6 | -169.6 | 0 | 0 | 110.9 | R673 E679 D680 E681 | R673-E677 WeakPolarHBondContact O-CG 3.38Å; R673-E677 PolarHBondContact O-N 2.79Å; E677-E679 PolarHBondContact O-N 3.41Å; E677-D680 PolarHBondContact O-N 3.35Å; E677-E681 WeakPolarHBondContact O-CG 3.36Å; E677-E681 PolarHBondContact O-N 3.42Å |
| 678 | L | 84.1 | Confident | 84 | Confident | 107 Ų | 107 | 104.9 Ų | 104.9 | 56% | 0.56 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.8 | -32.6 | 175.2 | -71.4 | 168.9 | 0 | 0 | 0 | 113.4 | K674 A675 G676 L682 | K674-L678 WeakPolarHBondContact O-CB 3.15Å; K674-L678 VanDerWaalsContact O-CG 3.24Å; K674-L678 WeakPolarHBondContact O-CG 3.25Å; K674-L678 PolarHBondContact O-N 3.04Å; A675-L678 PolarHBondContact O-N 3.32Å; G676-L678 PolarHBondContact O-N 2.84Å; L678-L682 WeakPolarHBondContact O-CB 3.4Å; L678-L682 PolarHBondContact O-N 3.05Å |
| 679 | E | 83.4 | Confident | 84.6 | Confident | 145 Ų | 145 | 106.7 Ų | 106.7 | 68% | 0.678 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.7 | -41 | 174.7 | -79.6 | -175.7 | -178.5 | 0 | 0 | 112.2 | A675 G676 E677 L682 K683 | A675-E679 WeakPolarHBondContact O-CG 3.28Å; A675-E679 PolarHBondContact O-N 2.96Å; G676-E679 PolarHBondContact O-N 3.3Å; E677-E679 PolarHBondContact O-N 3.41Å; E679-L682 PolarHBondContact O-N 3.27Å; E679-K683 WeakPolarHBondContact O-CB 3.37Å; E679-K683 PolarHBondContact O-N 3.02Å |
| 680 | D | 87.8 | Confident | 85.2 | Confident | 97 Ų | 97 | 105.3 Ų | 105.3 | 52% | 0.519 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.8 | -37.7 | 174.9 | -89.9 | -36 | 0 | 0 | 0 | 112.2 | G676 E677 L682 K683 V684 | G676-D680 PolarHBondContact O-N 3.3Å; E677-D680 PolarHBondContact O-N 3.35Å; D680-L682 PolarHBondContact O-N 3.43Å; D680-K683 WeakPolarHBondContact O-CB 3.48Å; D680-K683 PolarHBondContact O-N 3Å; D680-K683 IonicContact OD1-NZ 3.72Å; D680-K683 PolarHBondContact OD1-NZ 3.26Å; D680-V684 WeakPolarHBondContact O-CG2 3.49Å; D680-V684 PolarHBondContact O-N 2.97Å |
| 681 | E | 86.9 | Confident | 85.8 | Confident | 123 Ų | 123 | 107 Ų | 107 | 58% | 0.575 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.5 | -45.8 | 169.5 | -77 | -169.6 | 167.3 | 0 | 0 | 111.7 | E677 K683 V684 L685 | E677-E681 WeakPolarHBondContact O-CG 3.36Å; E677-E681 PolarHBondContact O-N 3.42Å; E681-K683 PolarHBondContact O-N 2.96Å; E681-V684 PolarHBondContact O-N 2.92Å; E681-L685 WeakPolarHBondContact O-CB 3.37Å; E681-L685 WeakPolarHBondContact O-CG 3.46Å; E681-L685 PolarHBondContact O-N 2.84Å |
| 682 | L | 84.4 | Confident | 86.4 | Confident | 95 Ų | 95 | 106.1 Ų | 106.1 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.9 | -27.3 | 180 | -166.6 | 152.9 | 0 | 0 | 0 | 111.8 | L678 E679 D680 K686 | L678-L682 WeakPolarHBondContact O-CB 3.4Å; L678-L682 PolarHBondContact O-N 3.05Å; E679-L682 PolarHBondContact O-N 3.27Å; D680-L682 PolarHBondContact O-N 3.43Å; L682-K686 HydrophobicContact CD2-CD 4.23Å; L682-K686 WeakPolarHBondContact O-CG 3.37Å; L682-K686 PolarHBondContact O-N 2.96Å |
| 683 | K | 89.1 | Confident | 87.1 | Confident | 112 Ų | 112 | 104.1 Ų | 104.1 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.2 | -49.6 | 169.8 | -179.1 | -177.1 | 170.2 | -166.7 | 0 | 111.7 | E679 D680 E681 L685 K686 D687 | E679-K683 WeakPolarHBondContact O-CB 3.37Å; E679-K683 PolarHBondContact O-N 3.02Å; D680-K683 WeakPolarHBondContact O-CB 3.48Å; D680-K683 PolarHBondContact O-N 3Å; D680-K683 IonicContact OD1-NZ 3.72Å; D680-K683 PolarHBondContact OD1-NZ 3.26Å; E681-K683 PolarHBondContact O-N 2.96Å; K683-L685 PolarHBondContact O-N 3.36Å; K683-K686 WeakPolarHBondContact O-CA 3.45Å; K683-K686 WeakPolarHBondContact O-CB 3.49Å; K683-K686 PolarHBondContact O-N 3.28Å; K683-D687 PolarHBondContact O-N 2.96Å; K683-D687 VanDerWaalsContact O-N 3.07Å |
| 684 | V | 90.5 | Very high | 87.5 | Confident | 81 Ų | 81 | 102.8 Ų | 102.8 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56.5 | -38.8 | 173 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | D680 E681 K686 D687 L688 | D680-V684 WeakPolarHBondContact O-CG2 3.49Å; D680-V684 PolarHBondContact O-N 2.97Å; E681-V684 PolarHBondContact O-N 2.92Å; V684-K686 VanDerWaalsContact C-N 3.33Å; V684-K686 PolarHBondContact O-N 3.11Å; V684-D687 PolarHBondContact O-N 2.89Å; V684-L688 HydrophobicContact CG1-CD1 3.85Å; V684-L688 HydrophobicContact CG1-CG 4.24Å; V684-L688 WeakPolarHBondContact O-CB 3.26Å; V684-L688 VanDerWaalsContact O-CG 3.31Å; V684-L688 WeakPolarHBondContact O-CG 3.32Å; V684-L688 PolarHBondContact O-N 3.02Å |
| 685 | L | 84.1 | Confident | 88.2 | Confident | 105 Ų | 105 | 101.5 Ų | 101.5 | 55% | 0.55 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.9 | -22.9 | 174.9 | -72 | 172.7 | 0 | 0 | 0 | 114.4 | E681 K683 R689 | E681-L685 WeakPolarHBondContact O-CB 3.37Å; E681-L685 WeakPolarHBondContact O-CG 3.46Å; E681-L685 PolarHBondContact O-N 2.84Å; K683-L685 PolarHBondContact O-N 3.36Å; L685-R689 VanDerWaalsContact O-CB 3.26Å; L685-R689 WeakPolarHBondContact O-CB 3.32Å; L685-R689 PolarHBondContact O-N 3.35Å |
| 686 | K | 86.8 | Confident | 88.7 | Confident | 126 Ų | 126 | 104.7 Ų | 104.7 | 55% | 0.548 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -75.3 | -44.8 | 170.1 | -73.9 | 160.1 | 178.2 | 156.4 | 0 | 110.7 | L682 K683 V684 R689 A690 | L682-K686 HydrophobicContact CD2-CD 4.23Å; L682-K686 WeakPolarHBondContact O-CG 3.37Å; L682-K686 PolarHBondContact O-N 2.96Å; K683-K686 WeakPolarHBondContact O-CA 3.45Å; K683-K686 WeakPolarHBondContact O-CB 3.49Å; K683-K686 PolarHBondContact O-N 3.28Å; V684-K686 VanDerWaalsContact C-N 3.33Å; V684-K686 PolarHBondContact O-N 3.11Å; K686-R689 WeakPolarHBondContact O-CB 3.41Å; K686-R689 PolarHBondContact O-N 2.8Å; K686-R689 VanDerWaalsContact O-N 3.17Å; K686-A690 PolarHBondContact O-N 3.31Å |
| 687 | D | 89.2 | Confident | 89.1 | Confident | 96 Ų | 96 | 107.4 Ų | 107.4 | 51% | 0.513 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.8 | -47.8 | -179 | -61.2 | -24.5 | 0 | 0 | 0 | 110.6 | K683 V684 R689 A690 D691 | K683-D687 PolarHBondContact O-N 2.96Å; K683-D687 VanDerWaalsContact O-N 3.07Å; V684-D687 PolarHBondContact O-N 2.89Å; D687-R689 PolarHBondContact O-N 2.94Å; D687-A690 WeakPolarHBondContact O-CB 3.49Å; D687-A690 PolarHBondContact O-N 3.5Å; D687-D691 PolarHBondContact O-N 2.99Å |
| 688 | L | 90.4 | Very high | 89.6 | Confident | 102 Ų | 102 | 105.4 Ų | 105.4 | 53% | 0.534 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.3 | -33.3 | 172 | -72.3 | 174 | 0 | 0 | 0 | 112.8 | V684 N692 | V684-L688 HydrophobicContact CG1-CD1 3.85Å; V684-L688 HydrophobicContact CG1-CG 4.24Å; V684-L688 WeakPolarHBondContact O-CB 3.26Å; V684-L688 VanDerWaalsContact O-CG 3.31Å; V684-L688 WeakPolarHBondContact O-CG 3.32Å; V684-L688 PolarHBondContact O-N 3.02Å; L688-N692 WeakPolarHBondContact O-CB 3.36Å; L688-N692 PolarHBondContact O-N 3.47Å |
| 689 | R | 90.6 | Very high | 90.1 | Very high | 189 Ų | 189 | 104.6 Ų | 104.6 | 71% | 0.713 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -70.3 | -38.6 | 175.4 | -175.7 | -174 | -59 | -167.6 | -0 | 111.7 | L685 K686 D687 Q693 | L685-R689 VanDerWaalsContact O-CB 3.26Å; L685-R689 WeakPolarHBondContact O-CB 3.32Å; L685-R689 PolarHBondContact O-N 3.35Å; K686-R689 WeakPolarHBondContact O-CB 3.41Å; K686-R689 PolarHBondContact O-N 2.8Å; K686-R689 VanDerWaalsContact O-N 3.17Å; D687-R689 PolarHBondContact O-N 2.94Å; R689-Q693 WeakPolarHBondContact O-CB 3.45Å; R689-Q693 PolarHBondContact O-N 2.87Å |
| 690 | A | 91.3 | Very high | 90.5 | Very high | 61 Ų | 61 | 99.5 Ų | 99.5 | 50% | 0.504 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -47.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | K686 D687 N692 Q693 R694 | K686-A690 PolarHBondContact O-N 3.31Å; D687-A690 WeakPolarHBondContact O-CB 3.49Å; D687-A690 PolarHBondContact O-N 3.5Å; A690-N692 PolarHBondContact O-N 2.92Å; A690-Q693 PolarHBondContact O-N 2.93Å; A690-R694 PolarHBondContact O-N 3.45Å |
| 691 | D | 91.1 | Very high | 90.8 | Very high | 88 Ų | 88 | 96.8 Ų | 96.8 | 47% | 0.471 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 175.1 | -84.1 | -25.9 | 0 | 0 | 0 | 112.2 | D687 Q693 R694 L695 | D687-D691 PolarHBondContact O-N 2.99Å; D691-Q693 VanDerWaalsContact C-N 3.26Å; D691-Q693 PolarHBondContact O-N 2.88Å; D691-R694 PolarHBondContact O-N 3.23Å; D691-L695 WeakPolarHBondContact O-CB 3.4Å; D691-L695 VanDerWaalsContact O-CG 3.32Å; D691-L695 WeakPolarHBondContact O-CG 3.4Å; D691-L695 PolarHBondContact O-N 3.44Å |
| 692 | N | 91.6 | Very high | 91.1 | Very high | 82 Ų | 82 | 95.7 Ų | 95.7 | 44% | 0.439 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.5 | -30.2 | 176.8 | -158.8 | -90.8 | 0 | 0 | 0 | 112.4 | L688 A690 K696 | L688-N692 WeakPolarHBondContact O-CB 3.36Å; L688-N692 PolarHBondContact O-N 3.47Å; A690-N692 PolarHBondContact O-N 2.92Å; N692-K696 WeakPolarHBondContact O-CD 3.49Å; N692-K696 VanDerWaalsContact O-CG 3.3Å; N692-K696 WeakPolarHBondContact O-CG 3.42Å; N692-K696 PolarHBondContact O-N 3.27Å; N692-K696 WeakPolarHBondContact OD1-CE 3.37Å; N692-K696 PolarHBondContact OD1-NZ 3.36Å |
| 693 | Q | 92.2 | Very high | 91.4 | Very high | 90 Ų | 90 | 96.6 Ų | 96.6 | 42% | 0.421 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -73.6 | -46.4 | 171.7 | -178.3 | 53.1 | 41.6 | 0 | 0 | 111.6 | R689 A690 D691 L695 K696 D697 | R689-Q693 WeakPolarHBondContact O-CB 3.45Å; R689-Q693 PolarHBondContact O-N 2.87Å; A690-Q693 PolarHBondContact O-N 2.93Å; D691-Q693 VanDerWaalsContact C-N 3.26Å; D691-Q693 PolarHBondContact O-N 2.88Å; Q693-L695 VanDerWaalsContact C-N 3.29Å; Q693-L695 PolarHBondContact O-N 3.46Å; Q693-K696 WeakPolarHBondContact O-CA 3.3Å; Q693-K696 WeakPolarHBondContact O-CB 3.42Å; Q693-K696 PolarHBondContact O-N 3.38Å; Q693-D697 VanDerWaalsContact NE2-CG 3.25Å; Q693-D697 PolarHBondContact NE2-OD1 2.66Å; Q693-D697 VanDerWaalsContact NE2-OD1 3.14Å; Q693-D697 PolarHBondContact NE2-OD2 3.21Å; Q693-D697 PolarHBondContact O-N 2.91Å |
| 694 | R | 93.9 | Very high | 91.6 | Very high | 147 Ų | 147 | 98.6 Ų | 98.6 | 56% | 0.555 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -54.5 | -45.7 | 174.5 | 179.6 | -175.7 | 161.4 | -150.1 | -13.9 | 111.6 | A690 D691 K696 D697 E698 | A690-R694 PolarHBondContact O-N 3.45Å; D691-R694 PolarHBondContact O-N 3.23Å; R694-K696 VanDerWaalsContact C-N 3.29Å; R694-K696 PolarHBondContact O-N 3.04Å; R694-D697 PolarHBondContact O-N 3.13Å; R694-D697 VanDerWaalsContact O-N 3.16Å; R694-E698 HydrophobicContact CG-CG 4.49Å; R694-E698 IonicContact CZ-OE1 2.77Å; R694-E698 IonicContact NE-OE1 3.7Å; R694-E698 PolarHBondContact NE-OE1 3.24Å; R694-E698 IonicContact NH2-OE1 3.75Å; R694-E698 PolarHBondContact NH2-OE1 2.94Å; R694-E698 IonicContact NH2-OE2 3.2Å; R694-E698 WeakPolarHBondContact O-CB 3.4Å; R694-E698 WeakPolarHBondContact O-CG 3.35Å; R694-E698 PolarHBondContact O-N 3Å |
| 695 | L | 93.9 | Very high | 91.6 | Very high | 91 Ų | 91 | 98.4 Ų | 98.4 | 48% | 0.476 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.8 | -32.3 | 175.9 | -72.8 | 170.5 | 0 | 0 | 0 | 112.6 | D691 Q693 N699 | D691-L695 WeakPolarHBondContact O-CB 3.4Å; D691-L695 VanDerWaalsContact O-CG 3.32Å; D691-L695 WeakPolarHBondContact O-CG 3.4Å; D691-L695 PolarHBondContact O-N 3.44Å; Q693-L695 VanDerWaalsContact C-N 3.29Å; Q693-L695 PolarHBondContact O-N 3.46Å; L695-N699 VanDerWaalsContact O-CB 3.29Å; L695-N699 WeakPolarHBondContact O-CB 3.24Å; L695-N699 PolarHBondContact O-N 2.91Å; L695-N699 PolarHBondContact O-ND2 2.91Å |
| 696 | K | 92.8 | Very high | 91.9 | Very high | 113 Ų | 113 | 98.7 Ų | 98.7 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.9 | -41.4 | 172.6 | -73.6 | 160.3 | -177.7 | 152.9 | 0 | 111.6 | N692 Q693 R694 N699 A700 | N692-K696 WeakPolarHBondContact O-CD 3.49Å; N692-K696 VanDerWaalsContact O-CG 3.3Å; N692-K696 WeakPolarHBondContact O-CG 3.42Å; N692-K696 PolarHBondContact O-N 3.27Å; N692-K696 WeakPolarHBondContact OD1-CE 3.37Å; N692-K696 PolarHBondContact OD1-NZ 3.36Å; Q693-K696 WeakPolarHBondContact O-CA 3.3Å; Q693-K696 WeakPolarHBondContact O-CB 3.42Å; Q693-K696 PolarHBondContact O-N 3.38Å; R694-K696 VanDerWaalsContact C-N 3.29Å; R694-K696 PolarHBondContact O-N 3.04Å; K696-N699 PolarHBondContact O-N 2.92Å; K696-A700 VanDerWaalsContact O-CB 3.28Å; K696-A700 WeakPolarHBondContact O-CB 3.48Å; K696-A700 PolarHBondContact O-N 3.42Å |
| 697 | D | 93.8 | Very high | 91.9 | Very high | 87 Ų | 87 | 95.9 Ų | 95.9 | 47% | 0.465 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70 | -37.2 | 179.5 | -66.2 | -40.7 | 0 | 0 | 0 | 112.1 | Q693 R694 A700 A701 | Q693-D697 VanDerWaalsContact NE2-CG 3.25Å; Q693-D697 PolarHBondContact NE2-OD1 2.66Å; Q693-D697 VanDerWaalsContact NE2-OD1 3.14Å; Q693-D697 PolarHBondContact NE2-OD2 3.21Å; Q693-D697 PolarHBondContact O-N 2.91Å; R694-D697 PolarHBondContact O-N 3.13Å; R694-D697 VanDerWaalsContact O-N 3.16Å; D697-A700 PolarHBondContact O-N 3.46Å; D697-A701 WeakPolarHBondContact O-CB 3.39Å; D697-A701 PolarHBondContact O-N 2.97Å |
| 698 | E | 94 | Very high | 91.9 | Very high | 77 Ų | 77 | 99.1 Ų | 99.1 | 36% | 0.36 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65 | -46.5 | 170.3 | -73.3 | 177.9 | 179.9 | 0 | 0 | 111.6 | R694 A700 A701 L702 | R694-E698 HydrophobicContact CG-CG 4.49Å; R694-E698 IonicContact CZ-OE1 2.77Å; R694-E698 IonicContact NE-OE1 3.7Å; R694-E698 PolarHBondContact NE-OE1 3.24Å; R694-E698 IonicContact NH2-OE1 3.75Å; R694-E698 PolarHBondContact NH2-OE1 2.94Å; R694-E698 IonicContact NH2-OE2 3.2Å; R694-E698 WeakPolarHBondContact O-CB 3.4Å; R694-E698 WeakPolarHBondContact O-CG 3.35Å; R694-E698 PolarHBondContact O-N 3Å; E698-A700 VanDerWaalsContact C-N 3.33Å; E698-A700 PolarHBondContact O-N 3.5Å; E698-A701 WeakPolarHBondContact O-CA 3.31Å; E698-A701 WeakPolarHBondContact O-CB 3.45Å; E698-A701 PolarHBondContact O-N 3.43Å; E698-A701 VanDerWaalsContact O-N 3.1Å; E698-L702 WeakPolarHBondContact O-CG 3.29Å; E698-L702 PolarHBondContact O-N 2.99Å |
| 699 | N | 93.7 | Very high | 91.6 | Very high | 89 Ų | 89 | 101 Ų | 101 | 48% | 0.476 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 173.1 | -83.3 | -63.4 | 0 | 0 | 0 | 112 | L695 K696 A701 L702 I703 | L695-N699 VanDerWaalsContact O-CB 3.29Å; L695-N699 WeakPolarHBondContact O-CB 3.24Å; L695-N699 PolarHBondContact O-N 2.91Å; L695-N699 PolarHBondContact O-ND2 2.91Å; K696-N699 PolarHBondContact O-N 2.92Å; N699-A701 VanDerWaalsContact C-N 3.3Å; N699-A701 PolarHBondContact O-N 3.06Å; N699-L702 PolarHBondContact O-N 2.87Å; N699-I703 WeakPolarHBondContact O-CB 3.48Å; N699-I703 VanDerWaalsContact O-CG1 3.26Å; N699-I703 WeakPolarHBondContact O-CG1 3.38Å; N699-I703 PolarHBondContact O-N 3.49Å |
| 700 | A | 92.6 | Very high | 91.1 | Very high | 39 Ų | 39 | 96.9 Ų | 96.9 | 32% | 0.322 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.8 | -29.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K696 D697 E698 R704 | K696-A700 VanDerWaalsContact O-CB 3.28Å; K696-A700 WeakPolarHBondContact O-CB 3.48Å; K696-A700 PolarHBondContact O-N 3.42Å; D697-A700 PolarHBondContact O-N 3.46Å; E698-A700 VanDerWaalsContact C-N 3.33Å; E698-A700 PolarHBondContact O-N 3.5Å; A700-R704 VanDerWaalsContact O-CG 3.31Å; A700-R704 WeakPolarHBondContact O-CG 3.45Å; A700-R704 PolarHBondContact O-N 2.98Å; A700-R704 PolarHBondContact O-NE 2.93Å |
| 701 | A | 92.9 | Very high | 89.6 | Confident | 40 Ų | 40 | 106.9 Ų | 106.9 | 33% | 0.331 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.5 | -46.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D697 E698 N699 I703 R704 V705 | D697-A701 WeakPolarHBondContact O-CB 3.39Å; D697-A701 PolarHBondContact O-N 2.97Å; E698-A701 WeakPolarHBondContact O-CA 3.31Å; E698-A701 WeakPolarHBondContact O-CB 3.45Å; E698-A701 PolarHBondContact O-N 3.43Å; E698-A701 VanDerWaalsContact O-N 3.1Å; N699-A701 VanDerWaalsContact C-N 3.3Å; N699-A701 PolarHBondContact O-N 3.06Å; A701-I703 PolarHBondContact O-N 3.17Å; A701-R704 CarbonylContact O-C 3.55Å; A701-R704 WeakPolarHBondContact O-CB 3.39Å; A701-R704 PolarHBondContact O-N 3.25Å; A701-R704 VanDerWaalsContact O-N 3.11Å; A701-V705 WeakPolarHBondContact O-CG2 3.24Å; A701-V705 PolarHBondContact O-N 2.92Å |
| 702 | L | 93.5 | Very high | 89.5 | Confident | 100 Ų | 100 | 107.9 Ų | 107.9 | 52% | 0.524 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 176.7 | -70.4 | 172.1 | 0 | 0 | 0 | 112 | E698 N699 R704 V705 I706 | E698-L702 WeakPolarHBondContact O-CG 3.29Å; E698-L702 PolarHBondContact O-N 2.99Å; N699-L702 PolarHBondContact O-N 2.87Å; L702-R704 VanDerWaalsContact C-N 3.28Å; L702-R704 PolarHBondContact O-N 3.07Å; L702-V705 PolarHBondContact O-N 3.4Å; L702-I706 WeakPolarHBondContact O-CB 3.43Å; L702-I706 VanDerWaalsContact O-CG1 3.3Å; L702-I706 WeakPolarHBondContact O-CG1 3.49Å; L702-I706 PolarHBondContact O-N 3.02Å |
| 703 | I | 91.4 | Very high | 89.4 | Confident | 114 Ų | 114 | 109.2 Ų | 109.2 | 59% | 0.585 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -58.1 | -40.6 | 174.4 | -69.8 | 163.4 | 0 | 0 | 0 | 111.1 | N699 A701 S707 | N699-I703 WeakPolarHBondContact O-CB 3.48Å; N699-I703 VanDerWaalsContact O-CG1 3.26Å; N699-I703 WeakPolarHBondContact O-CG1 3.38Å; N699-I703 PolarHBondContact O-N 3.49Å; A701-I703 PolarHBondContact O-N 3.17Å; I703-S707 WeakPolarHBondContact O-CB 3.48Å; I703-S707 PolarHBondContact O-N 3.04Å |
| 704 | R | 92.4 | Very high | 89.3 | Confident | 153 Ų | 153 | 110.3 Ų | 110.3 | 58% | 0.577 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -69 | -31 | 175.4 | -75.2 | 175.6 | -70.8 | 175 | -1.1 | 113.2 | A700 A701 L702 K708 | A700-R704 VanDerWaalsContact O-CG 3.31Å; A700-R704 WeakPolarHBondContact O-CG 3.45Å; A700-R704 PolarHBondContact O-N 2.98Å; A700-R704 PolarHBondContact O-NE 2.93Å; A701-R704 CarbonylContact O-C 3.55Å; A701-R704 WeakPolarHBondContact O-CB 3.39Å; A701-R704 PolarHBondContact O-N 3.25Å; A701-R704 VanDerWaalsContact O-N 3.11Å; L702-R704 VanDerWaalsContact C-N 3.28Å; L702-R704 PolarHBondContact O-N 3.07Å; R704-K708 WeakPolarHBondContact O-CG 3.47Å; R704-K708 PolarHBondContact O-N 3.41Å |
| 705 | V | 92.4 | Very high | 89 | Confident | 78 Ų | 78 | 108.1 Ų | 108.1 | 47% | 0.473 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -73.5 | -48.2 | 173.7 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | A701 L702 S707 K708 L709 | A701-V705 WeakPolarHBondContact O-CG2 3.24Å; A701-V705 PolarHBondContact O-N 2.92Å; L702-V705 PolarHBondContact O-N 3.4Å; V705-S707 VanDerWaalsContact C-N 3.3Å; V705-S707 PolarHBondContact O-N 3.25Å; V705-K708 CarbonylContact O-C 3.59Å; V705-K708 WeakPolarHBondContact O-CA 3.41Å; V705-K708 WeakPolarHBondContact O-CB 3.28Å; V705-K708 PolarHBondContact O-N 3.46Å; V705-L709 HydrophobicContact CG1-CD1 3.84Å; V705-L709 HydrophobicContact CG1-CG 4.34Å; V705-L709 WeakPolarHBondContact O-CG 3.33Å; V705-L709 PolarHBondContact O-N 3.25Å |
| 706 | I | 90 | Very high | 88.7 | Confident | 110 Ų | 110 | 109.2 Ų | 109.2 | 56% | 0.564 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -57.6 | -44.1 | 175.8 | -66.5 | 163.8 | 0 | 0 | 0 | 110.4 | L702 K708 L709 S710 | L702-I706 WeakPolarHBondContact O-CB 3.43Å; L702-I706 VanDerWaalsContact O-CG1 3.3Å; L702-I706 WeakPolarHBondContact O-CG1 3.49Å; L702-I706 PolarHBondContact O-N 3.02Å; I706-K708 PolarHBondContact O-N 3.29Å; I706-L709 PolarHBondContact O-N 3.49Å; I706-L709 VanDerWaalsContact O-N 3.16Å; I706-S710 VanDerWaalsContact O-CB 3.23Å; I706-S710 WeakPolarHBondContact O-CB 3.26Å; I706-S710 PolarHBondContact O-N 2.76Å |
| 707 | S | 87.3 | Confident | 88.4 | Confident | 67 Ų | 67 | 108.9 Ų | 108.9 | 47% | 0.469 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.8 | -23.4 | 176.5 | -174.3 | 0 | 0 | 0 | 0 | 114 | I703 V705 | I703-S707 WeakPolarHBondContact O-CB 3.48Å; I703-S707 PolarHBondContact O-N 3.04Å; V705-S707 VanDerWaalsContact C-N 3.3Å; V705-S707 PolarHBondContact O-N 3.25Å |
| 708 | K | 88.4 | Confident | 88 | Confident | 164 Ų | 164 | 110.5 Ų | 110.5 | 71% | 0.713 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -85.8 | -29.2 | 172.1 | -77.1 | 177.7 | 176.6 | -175.6 | 0 | 113.7 | R704 V705 I706 | R704-K708 WeakPolarHBondContact O-CG 3.47Å; R704-K708 PolarHBondContact O-N 3.41Å; V705-K708 CarbonylContact O-C 3.59Å; V705-K708 WeakPolarHBondContact O-CA 3.41Å; V705-K708 WeakPolarHBondContact O-CB 3.28Å; V705-K708 PolarHBondContact O-N 3.46Å; I706-K708 PolarHBondContact O-N 3.29Å |
| 709 | L | 84.3 | Confident | 87.6 | Confident | 143 Ų | 143 | 113.1 Ų | 113.1 | 75% | 0.749 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -83.6 | -16.2 | 175.6 | -67.1 | 174 | 0 | 0 | 0 | 112.8 | V705 I706 R711 | V705-L709 HydrophobicContact CG1-CD1 3.84Å; V705-L709 HydrophobicContact CG1-CG 4.34Å; V705-L709 WeakPolarHBondContact O-CG 3.33Å; V705-L709 PolarHBondContact O-N 3.25Å; I706-L709 PolarHBondContact O-N 3.49Å; I706-L709 VanDerWaalsContact O-N 3.16Å; L709-R711 VanDerWaalsContact C-N 3.32Å |
| 710 | S | 79.6 | Confident | 87.1 | Confident | 102 Ų | 102 | 115.1 Ų | 115.1 | 71% | 0.713 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 21.3 | 174.6 | -172.6 | 0 | 0 | 0 | 0 | 112.8 | I706 | I706-S710 VanDerWaalsContact O-CB 3.23Å; I706-S710 WeakPolarHBondContact O-CB 3.26Å; I706-S710 PolarHBondContact O-N 2.76Å |
| 711 | R | 60 | Low | 86.6 | Confident | 271 Ų | 271 | 122 Ų | 122 | 100% | 1.023 | 61% | 0.611 | S | S | * | * | trans | -132.1 | 0 | 176.3 | -80.1 | -173.8 | 174.6 | -147.5 | 1 | 110.2 | L709 | L709-R711 VanDerWaalsContact C-N 3.32Š|
Retrieved 711 of 711 residues in 291.3 ms
(Link to these results)