| 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 | 49.8 | Very low | 44.5 | Very low | 218 Ų | 218 | 121.9 Ų | 121.9 | 100% | 1.074 | 62% | 0.616 | S | S | * | * | 0 | -45.7 | 0 | -144.4 | 168.3 | 79.9 | 0 | 0 | 113 | I3 F4 | M1-I3 PolarHBondContact O-N 3.01Å; M1-F4 PolarHBondContact O-N 2.84Å | |||
| 2 | L | 42.1 | Very low | 44.5 | Very low | 131 Ų | 131 | 123.6 Ų | 123.6 | 69% | 0.686 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -61.7 | -40.3 | -175.3 | -132.1 | 88.6 | 0 | 0 | 0 | 115.4 | F4 L5 I6 | L2-F4 VanDerWaalsContact C-N 3.28Å; L2-F4 PolarHBondContact O-N 2.85Å; L2-L5 WeakPolarHBondContact O-CB 3.47Å; L2-L5 PolarHBondContact O-N 3.01Å; L2-L5 VanDerWaalsContact O-N 3.17Å; L2-I6 PolarHBondContact O-N 3.39Å |
| 3 | I | 44.5 | Very low | 44.1 | Very low | 84 Ų | 84 | 124.5 Ų | 124.5 | 43% | 0.431 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.4 | -36.2 | -178.2 | -63.3 | 171.9 | 0 | 0 | 0 | 111.4 | M1 L5 I6 I7 | M1-I3 PolarHBondContact O-N 3.01Å; I3-L5 VanDerWaalsContact C-N 3.28Å; I3-L5 PolarHBondContact O-N 3.21Å; I3-I6 PolarHBondContact O-N 3.16Å; I3-I7 HydrophobicContact CG2-CD1 4.36Å; I3-I7 PolarHBondContact O-N 2.91Å |
| 4 | F | 46.4 | Very low | 43.6 | Very low | 157 Ų | 157 | 125.1 Ų | 125.1 | 69% | 0.689 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.8 | -36.3 | 178.9 | -144.6 | -91.4 | 0 | 0 | 0 | 111.2 | M1 L2 I6 I7 H8 | M1-F4 PolarHBondContact O-N 2.84Å; L2-F4 VanDerWaalsContact C-N 3.28Å; L2-F4 PolarHBondContact O-N 2.85Å; F4-I6 PolarHBondContact O-N 2.97Å; F4-I7 PolarHBondContact O-N 3.3Å; F4-H8 WeakPolarHBondContact O-CB 3.34Å; F4-H8 PolarHBondContact O-N 3.29Å |
| 5 | L | 41.5 | Very low | 43.3 | Very low | 123 Ų | 123 | 125.3 Ų | 125.3 | 64% | 0.644 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66.7 | -37.4 | 178.9 | -137.2 | 95 | 0 | 0 | 0 | 112.3 | L2 I3 I7 H8 Y9 | L2-L5 WeakPolarHBondContact O-CB 3.47Å; L2-L5 PolarHBondContact O-N 3.01Å; L2-L5 VanDerWaalsContact O-N 3.17Å; I3-L5 VanDerWaalsContact C-N 3.28Å; I3-L5 PolarHBondContact O-N 3.21Å; L5-I7 VanDerWaalsContact C-N 3.35Å; L5-H8 PolarHBondContact O-N 3.4Å; L5-Y9 WeakPolarHBondContact O-CB 3.47Å; L5-Y9 PolarHBondContact O-N 3.14Å |
| 6 | I | 43.9 | Very low | 43.1 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 54% | 0.538 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -65.5 | -42.2 | 179.7 | -63.4 | 171.6 | 0 | 0 | 0 | 110.3 | L2 I3 F4 | L2-I6 PolarHBondContact O-N 3.39Å; I3-I6 PolarHBondContact O-N 3.16Å; F4-I6 PolarHBondContact O-N 2.97Å |
| 7 | I | 43 | Very low | 42.7 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 59% | 0.59 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -70.1 | -39.8 | 177.8 | -58.4 | 172.9 | 0 | 0 | 0 | 110.3 | I3 F4 L5 P11 | I3-I7 HydrophobicContact CG2-CD1 4.36Å; I3-I7 PolarHBondContact O-N 2.91Å; F4-I7 PolarHBondContact O-N 3.3Å; L5-I7 VanDerWaalsContact C-N 3.35Å; I7-P11 WeakPolarHBondContact O-CD 3.28Å |
| 8 | H | 45.9 | Very low | 42.3 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 49% | 0.486 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -77.6 | -27.1 | -176.4 | -145.1 | -88.1 | 0 | 0 | 0 | 113.6 | F4 L5 | F4-H8 WeakPolarHBondContact O-CB 3.34Å; F4-H8 PolarHBondContact O-N 3.29Å; L5-H8 PolarHBondContact O-N 3.4Å |
| 9 | Y | 42.1 | Very low | 41.7 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 56% | 0.561 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -77.5 | -26.3 | 178.6 | -161.6 | -100.1 | 0 | 0 | 0 | 112.9 | L5 K13 | L5-Y9 WeakPolarHBondContact O-CB 3.47Å; L5-Y9 PolarHBondContact O-N 3.14Å; Y9-K13 HydrophobicContact CE1-CD 4.34Å; Y9-K13 HydrophobicContact CE2-CD 4.4Å; Y9-K13 PolarHBondContact OH-NZ 2.9Å |
| 10 | S | 48.9 | Very low | 41.3 | Very low | 74 Ų | 74 | 132.5 Ų | 132.5 | 52% | 0.517 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -72.8 | -40.7 | -176.2 | -137 | 0 | 0 | 0 | 0 | 115.7 | ||
| 11 | P | 41.4 | Very low | 41 | Very low | 86 Ų | 86 | 133.9 Ų | 133.9 | 56% | 0.558 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -78.2 | -33.1 | -178.2 | 25.8 | -31.3 | 0 | 0 | 0 | 113.2 | I7 K13 | I7-P11 WeakPolarHBondContact O-CD 3.28Å; P11-K13 PolarHBondContact O-N 2.89Å |
| 12 | M | 44.9 | Very low | 40.4 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 70% | 0.7 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -75.1 | -18.5 | -170.5 | -75.7 | -170.9 | 152 | 0 | 0 | 115 | ||
| 13 | K | 39.7 | Very low | 40.3 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 59% | 0.591 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | -1.4 | -179.3 | -76.4 | -173.2 | 179.4 | 179.9 | 0 | 115.7 | Y9 P11 | Y9-K13 HydrophobicContact CE1-CD 4.34Å; Y9-K13 HydrophobicContact CE2-CD 4.4Å; Y9-K13 PolarHBondContact OH-NZ 2.9Å; P11-K13 PolarHBondContact O-N 2.89Å |
| 14 | L | 36.9 | Very low | 40 | Very low | 132 Ų | 132 | 138.3 Ų | 138.3 | 69% | 0.691 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -80.3 | -18.2 | 171.5 | -93.4 | 163.2 | 0 | 0 | 0 | 113.4 | K16 | L14-K16 VanDerWaalsContact C-N 3.27Å; L14-K16 PolarHBondContact O-N 2.85Å |
| 15 | N | 38.7 | Very low | 39.8 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 68% | 0.684 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -79.2 | 1.5 | -175.7 | -157.1 | 41.8 | 0 | 0 | 0 | 115.2 | ||
| 16 | K | 40.1 | Very low | 39.9 | Very low | 197 Ų | 197 | 135.3 Ų | 135.3 | 86% | 0.857 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -105.7 | 5.6 | 177.2 | -90.6 | -170.7 | 176.9 | -175.7 | 0 | 115.1 | L14 E18 | L14-K16 VanDerWaalsContact C-N 3.27Å; L14-K16 PolarHBondContact O-N 2.85Å; K16-E18 PolarHBondContact O-N 3.4Å |
| 17 | F | 37.1 | Very low | 40.2 | Very low | 196 Ų | 196 | 134.1 Ų | 134.1 | 86% | 0.86 | 69% | 0.688 | S | S | * | * | trans | -93.7 | 46.9 | 161.8 | -91.5 | -86.4 | 0 | 0 | 0 | 110.3 | ||||
| 18 | E | 34.2 | Very low | 40.1 | Very low | 171 Ų | 171 | 133.8 Ų | 133.8 | 80% | 0.799 | 69% | 0.687 | S | S | * | * | trans | -88.8 | 110.4 | 164.7 | -171.7 | 173.2 | -169.4 | 0 | 0 | 107.2 | K16 | K16-E18 PolarHBondContact O-N 3.4Š| ||
| 19 | G | 31.9 | Very low | 40.1 | Very low | 51 Ų | 51 | 134.1 Ų | 134.1 | 53% | 0.526 | 69% | 0.692 | S | S | . | * | S | Bend | trans | 101.6 | 88.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 20 | N | 32.7 | Very low | 40.4 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 83% | 0.829 | 69% | 0.689 | S | S | * | * | S | Bend | 152.6 | 94.9 | 128.5 | -67.1 | -23.1 | 0 | 0 | 0 | 109.4 | |||
| 21 | I | 36.2 | Very low | 40.5 | Very low | 162 Ų | 162 | 132.8 Ų | 132.8 | 83% | 0.831 | 69% | 0.688 | S | S | * | * | trans | 67.3 | 99.9 | 152.9 | -45.2 | -178.8 | 0 | 0 | 0 | 115.2 | E23 | I21-E23 VanDerWaalsContact C-N 3.25Å; I21-E23 PolarHBondContact O-N 3.44Å | ||
| 22 | L | 36.7 | Very low | 40.6 | Very low | 184 Ų | 184 | 131.7 Ų | 131.7 | 96% | 0.963 | 68% | 0.677 | S | S | * | * | trans | -56.7 | 67.6 | 171.6 | -164.1 | 110.3 | 0 | 0 | 0 | 113.1 | ||||
| 23 | E | 39.1 | Very low | 40.8 | Very low | 175 Ų | 175 | 128.6 Ų | 128.6 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | trans | -104 | 94.9 | 162.8 | -159.6 | 168.9 | -163.2 | 0 | 0 | 108 | I21 | I21-E23 VanDerWaalsContact C-N 3.25Å; I21-E23 PolarHBondContact O-N 3.44Å | ||
| 24 | K | 39.2 | Very low | 41.1 | Very low | 168 Ų | 168 | 124.7 Ų | 124.7 | 73% | 0.73 | 65% | 0.651 | S | S | * | * | trans | 20.6 | 98 | 160.4 | -169.1 | 174 | -176.5 | -180 | 0 | 113.7 | N26 | K24-N26 PolarHBondContact O-N 2.88Š| ||
| 25 | P | 42.4 | Very low | 41.5 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 80% | 0.799 | 65% | 0.651 | S | S | * | * | trans | -60.2 | 110.1 | 173.3 | 25.1 | -31.5 | 0 | 0 | 0 | 107.4 | S27 | P25-S27 PolarHBondContact O-N 3.45Å; P25-S27 VanDerWaalsContact O-N 3.14Å | ||
| 26 | N | 44 | Very low | 41.9 | Very low | 93 Ų | 93 | 128.2 Ų | 128.2 | 50% | 0.497 | 65% | 0.645 | S | S | . | * | trans | -54.9 | 124.7 | 179.5 | -72.8 | -36.2 | 0 | 0 | 0 | 107.4 | K24 D28 I29 | K24-N26 PolarHBondContact O-N 2.88Å; N26-D28 HydrophobicContact CB-CB 4.44Å; N26-D28 PolarHBondContact O-N 3.48Å; N26-I29 PolarHBondContact O-N 3.22Å | ||
| 27 | S | 49.9 | Very low | 42.1 | Very low | 80 Ų | 80 | 124.7 Ų | 124.7 | 56% | 0.559 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -45.1 | -27.3 | 174.9 | 40.1 | 0 | 0 | 0 | 0 | 112.6 | P25 I29 L30 L31 | P25-S27 PolarHBondContact O-N 3.45Å; P25-S27 VanDerWaalsContact O-N 3.14Å; S27-I29 VanDerWaalsContact C-N 3.31Å; S27-I29 PolarHBondContact O-N 2.94Å; S27-L30 PolarHBondContact O-N 2.86Å; S27-L31 WeakPolarHBondContact O-CB 3.29Å; S27-L31 WeakPolarHBondContact O-CG 3.38Å; S27-L31 PolarHBondContact O-N 2.73Å |
| 28 | D | 40.3 | Very low | 42.3 | Very low | 108 Ų | 108 | 116.8 Ų | 116.8 | 58% | 0.578 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.6 | -33.6 | 177.7 | -55 | -23.7 | 0 | 0 | 0 | 113.4 | N26 N32 | N26-D28 HydrophobicContact CB-CB 4.44Å; N26-D28 PolarHBondContact O-N 3.48Å; D28-N32 WeakPolarHBondContact O-CB 3.38Å; D28-N32 PolarHBondContact O-N 3.48Å |
| 29 | I | 46.3 | Very low | 42.7 | Very low | 113 Ų | 113 | 115.1 Ų | 115.1 | 58% | 0.579 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -73.5 | -44.7 | -177.4 | -60.1 | 175.8 | 0 | 0 | 0 | 110.6 | N26 S27 N32 V33 | N26-I29 PolarHBondContact O-N 3.22Å; S27-I29 VanDerWaalsContact C-N 3.31Å; S27-I29 PolarHBondContact O-N 2.94Å; I29-N32 PolarHBondContact O-N 3.43Å; I29-V33 WeakPolarHBondContact O-CG2 3.27Å; I29-V33 PolarHBondContact O-N 3.47Å |
| 30 | L | 48.8 | Very low | 43.2 | Very low | 96 Ų | 96 | 121 Ų | 121 | 50% | 0.503 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.6 | -44.7 | 177.1 | -173.2 | 71.1 | 0 | 0 | 0 | 110.4 | S27 N32 V33 I34 | S27-L30 PolarHBondContact O-N 2.86Å; L30-N32 VanDerWaalsContact C-N 3.27Å; L30-N32 PolarHBondContact O-N 3.34Å; L30-V33 PolarHBondContact O-N 2.87Å; L30-I34 HydrophobicContact CG-CD1 4.29Å; L30-I34 WeakPolarHBondContact O-CG1 3.29Å; L30-I34 PolarHBondContact O-N 3.05Å |
| 31 | L | 49.6 | Very low | 43.8 | Very low | 93 Ų | 93 | 117.3 Ų | 117.3 | 49% | 0.487 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.8 | -35.5 | 174.1 | -73.2 | 173.2 | 0 | 0 | 0 | 111.7 | S27 I34 R35 | S27-L31 WeakPolarHBondContact O-CB 3.29Å; S27-L31 WeakPolarHBondContact O-CG 3.38Å; S27-L31 PolarHBondContact O-N 2.73Å; L31-I34 PolarHBondContact O-N 3.09Å; L31-R35 WeakPolarHBondContact O-CA 3.09Å; L31-R35 WeakPolarHBondContact O-CB 3.34Å; L31-R35 PolarHBondContact O-N 3.49Å |
| 32 | N | 45.2 | Very low | 44.1 | Very low | 63 Ų | 63 | 113.7 Ų | 113.7 | 34% | 0.337 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -70.9 | -33.9 | 177.4 | -167.1 | 34.9 | 0 | 0 | 0 | 112.5 | D28 I29 L30 R35 R36 | D28-N32 WeakPolarHBondContact O-CB 3.38Å; D28-N32 PolarHBondContact O-N 3.48Å; I29-N32 PolarHBondContact O-N 3.43Å; L30-N32 VanDerWaalsContact C-N 3.27Å; L30-N32 PolarHBondContact O-N 3.34Å; N32-R35 PolarHBondContact O-N 3Å; N32-R36 VanDerWaalsContact O-CB 3.3Å; N32-R36 WeakPolarHBondContact O-CB 3.4Å; N32-R36 WeakPolarHBondContact O-CG 3.45Å; N32-R36 PolarHBondContact O-N 3.24Å |
| 33 | V | 48.2 | Very low | 44.5 | Very low | 77 Ų | 77 | 108.7 Ų | 108.7 | 47% | 0.467 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67 | -44.8 | 173.1 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | I29 L30 H37 | I29-V33 WeakPolarHBondContact O-CG2 3.27Å; I29-V33 PolarHBondContact O-N 3.47Å; L30-V33 PolarHBondContact O-N 2.87Å; V33-H37 PolarHBondContact O-CD2 2.81Å; V33-H37 PolarHBondContact O-N 3.37Å |
| 34 | I | 46.3 | Very low | 44.8 | Very low | 54 Ų | 54 | 106.9 Ų | 106.9 | 28% | 0.277 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | 175 | -63.6 | 167.9 | 0 | 0 | 0 | 110.1 | L30 L31 H37 N38 | L30-I34 HydrophobicContact CG-CD1 4.29Å; L30-I34 WeakPolarHBondContact O-CG1 3.29Å; L30-I34 PolarHBondContact O-N 3.05Å; L31-I34 PolarHBondContact O-N 3.09Å; I34-H37 CarbonylContact O-C 3.58Å; I34-H37 PolarHBondContact O-N 3.25Å; I34-N38 VanDerWaalsContact O-CB 3.29Å; I34-N38 WeakPolarHBondContact O-CB 3.49Å; I34-N38 VanDerWaalsContact O-CG 3.27Å; I34-N38 PolarHBondContact O-N 3.32Å; I34-N38 PolarHBondContact O-OD1 3.05Å |
| 35 | R | 44.1 | Very low | 45.1 | Very low | 184 Ų | 184 | 103.7 Ų | 103.7 | 69% | 0.694 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.7 | -41.7 | 179.9 | -168.3 | -178 | -150 | 162.9 | 6.8 | 112.2 | L31 N32 H37 N38 E39 | L31-R35 WeakPolarHBondContact O-CA 3.09Å; L31-R35 WeakPolarHBondContact O-CB 3.34Å; L31-R35 PolarHBondContact O-N 3.49Å; N32-R35 PolarHBondContact O-N 3Å; R35-H37 VanDerWaalsContact C-N 3.35Å; R35-N38 CarbonylContact O-C 3.55Å; R35-N38 PolarHBondContact O-N 3.45Å; R35-E39 WeakPolarHBondContact O-CB 3.39Å; R35-E39 PolarHBondContact O-N 3.48Å |
| 36 | R | 47.4 | Very low | 45.4 | Very low | 150 Ų | 150 | 102.4 Ų | 102.4 | 57% | 0.566 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.2 | -41.8 | 174.4 | -80 | -173.4 | 179.5 | 141.2 | -0.3 | 111.2 | N32 N38 E39 F40 | N32-R36 VanDerWaalsContact O-CB 3.3Å; N32-R36 WeakPolarHBondContact O-CB 3.4Å; N32-R36 WeakPolarHBondContact O-CG 3.45Å; N32-R36 PolarHBondContact O-N 3.24Å; R36-N38 VanDerWaalsContact C-N 3.33Å; R36-E39 PolarHBondContact O-N 2.88Å; R36-F40 WeakPolarHBondContact O-CD2 3.22Å; R36-F40 PolarHBondContact O-N 2.87Å |
| 37 | H | 45.4 | Very low | 45.7 | Very low | 122 Ų | 122 | 102.9 Ų | 102.9 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.1 | -33.4 | 174.1 | -88.8 | -66.4 | 0 | 0 | 0 | 112.8 | V33 I34 R35 F40 I41 | V33-H37 PolarHBondContact O-CD2 2.81Å; V33-H37 PolarHBondContact O-N 3.37Å; I34-H37 CarbonylContact O-C 3.58Å; I34-H37 PolarHBondContact O-N 3.25Å; R35-H37 VanDerWaalsContact C-N 3.35Å; H37-F40 PolarHBondContact O-N 3.05Å; H37-I41 PolarHBondContact O-N 3.49Å |
| 38 | N | 40.3 | Very low | 45.8 | Very low | 31 Ų | 31 | 105.2 Ų | 105.2 | 17% | 0.166 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -70.3 | -36.6 | 173.5 | -79.1 | 0.6 | 0 | 0 | 0 | 111.6 | I34 R35 R36 F40 I41 T42 E174 | I34-N38 VanDerWaalsContact O-CB 3.29Å; I34-N38 WeakPolarHBondContact O-CB 3.49Å; I34-N38 VanDerWaalsContact O-CG 3.27Å; I34-N38 PolarHBondContact O-N 3.32Å; I34-N38 PolarHBondContact O-OD1 3.05Å; R35-N38 CarbonylContact O-C 3.55Å; R35-N38 PolarHBondContact O-N 3.45Å; R36-N38 VanDerWaalsContact C-N 3.33Å; N38-F40 PolarHBondContact O-N 3.05Å; N38-I41 CarbonylContact O-C 3.52Å; N38-I41 PolarHBondContact O-N 3.02Å; N38-T42 WeakPolarHBondContact O-CB 3.45Å; N38-T42 WeakPolarHBondContact O-CG2 3.25Å; N38-T42 PolarHBondContact O-N 3.22Å; N38-T42 PolarHBondContact O-OG1 2.83Å; N38-E174 VanDerWaalsContact ND2-CD 3.31Å; N38-E174 PolarHBondContact ND2-OE1 3.21Å |
| 39 | E | 42 | Very low | 46.4 | Very low | 136 Ų | 136 | 102.5 Ų | 102.5 | 64% | 0.636 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.6 | -30.5 | 175.5 | -166.3 | 170.5 | -168 | 0 | 0 | 111.2 | R35 R36 S43 | R35-E39 WeakPolarHBondContact O-CB 3.39Å; R35-E39 PolarHBondContact O-N 3.48Å; R36-E39 PolarHBondContact O-N 2.88Å; E39-S43 PolarHBondContact O-N 2.72Å |
| 40 | F | 42.7 | Very low | 46.7 | Very low | 173 Ų | 173 | 103.4 Ų | 103.4 | 76% | 0.759 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -74.7 | -16.3 | 170.9 | -79.3 | -71.1 | 0 | 0 | 0 | 115 | R36 H37 N38 | R36-F40 WeakPolarHBondContact O-CD2 3.22Å; R36-F40 PolarHBondContact O-N 2.87Å; H37-F40 PolarHBondContact O-N 3.05Å; N38-F40 PolarHBondContact O-N 3.05Å |
| 41 | I | 45.3 | Very low | 46.9 | Very low | 79 Ų | 79 | 107 Ų | 107 | 41% | 0.405 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -107 | -28.6 | -179.9 | -60.6 | 173.9 | 0 | 0 | 0 | 111.4 | H37 N38 I45 | H37-I41 PolarHBondContact O-N 3.49Å; N38-I41 CarbonylContact O-C 3.52Å; N38-I41 PolarHBondContact O-N 3.02Å; I41-I45 HydrophobicContact CG2-CD1 4.38Å |
| 42 | T | 42.7 | Very low | 46.6 | Very low | 86 Ų | 86 | 109.5 Ų | 109.5 | 53% | 0.528 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -96.1 | -5.4 | -175.1 | 62.7 | 0 | 0 | 0 | 0 | 113.9 | N38 D44 | N38-T42 WeakPolarHBondContact O-CB 3.45Å; N38-T42 WeakPolarHBondContact O-CG2 3.25Å; N38-T42 PolarHBondContact O-N 3.22Å; N38-T42 PolarHBondContact O-OG1 2.83Å; T42-D44 PolarHBondContact O-N 3.26Å |
| 43 | S | 44.4 | Very low | 46.7 | Very low | 79 Ų | 79 | 112.5 Ų | 112.5 | 55% | 0.552 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -61.3 | -24.7 | -179.7 | 60.1 | 0 | 0 | 0 | 0 | 113.1 | E39 | E39-S43 PolarHBondContact O-N 2.72Š|
| 44 | D | 45.4 | Very low | 46.8 | Very low | 136 Ų | 136 | 114.2 Ų | 114.2 | 73% | 0.727 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -136.8 | 15.6 | -170.3 | -60.9 | -65 | 0 | 0 | 0 | 115.3 | T42 P46 | T42-D44 PolarHBondContact O-N 3.26Å; D44-P46 VanDerWaalsContact C-CD 3.43Å; D44-P46 WeakPolarHBondContact O-CD 3.08Å |
| 45 | I | 46.6 | Very low | 46.6 | Very low | 101 Ų | 101 | 116.9 Ų | 116.9 | 52% | 0.518 | 59% | 0.588 | S | S | . | * | trans | -102.5 | 87.2 | 172 | -50.4 | 176.9 | 0 | 0 | 0 | 108.3 | I41 N47 | I41-I45 HydrophobicContact CG2-CD1 4.38Å; I45-N47 PolarHBondContact O-N 3.46Å | ||
| 46 | P | 48.1 | Very low | 46.4 | Very low | 96 Ų | 96 | 117.2 Ų | 117.2 | 62% | 0.623 | 60% | 0.597 | S | S | * | * | trans | -58.8 | 128.6 | 169.5 | 24 | -31 | 0 | 0 | 0 | 108.7 | D44 E48 | D44-P46 VanDerWaalsContact C-CD 3.43Å; D44-P46 WeakPolarHBondContact O-CD 3.08Å; P46-E48 PolarHBondContact O-N 3.03Å | ||
| 47 | N | 50.2 | Low | 46.4 | Very low | 103 Ų | 103 | 114.6 Ų | 114.6 | 55% | 0.551 | 60% | 0.602 | S | S | * | * | trans | -68.3 | 72.5 | 170.5 | 175.6 | 23.4 | 0 | 0 | 0 | 109.4 | I45 C49 D50 | I45-N47 PolarHBondContact O-N 3.46Å; N47-C49 VanDerWaalsContact C-N 3.25Å; N47-D50 PolarHBondContact ND2-OD2 2.82Å | ||
| 48 | E | 52.1 | Low | 46.1 | Very low | 130 Ų | 130 | 116.7 Ų | 116.7 | 61% | 0.607 | 62% | 0.617 | S | S | * | * | trans | -83.5 | -5.8 | 176.9 | -158.5 | 163.9 | -159.4 | 0 | 0 | 111.9 | P46 D50 K51 | P46-E48 PolarHBondContact O-N 3.03Å; E48-D50 VanDerWaalsContact C-N 3.3Å; E48-D50 PolarHBondContact O-N 3.39Å; E48-K51 PolarHBondContact O-N 3.5Å | ||
| 49 | C | 52.9 | Low | 46.5 | Very low | 50 Ų | 50 | 120.6 Ų | 120.6 | 34% | 0.338 | 65% | 0.647 | S | S | . | * | G | 310 helix | trans | -64.2 | -30.4 | 179.1 | -49.4 | 0 | 0 | 0 | 0 | 113.6 | N47 K51 Y52 C184 | N47-C49 VanDerWaalsContact C-N 3.25Å; C49-K51 PolarHBondContact O-N 3.48Å; C49-K51 VanDerWaalsContact O-N 3.11Å; C49-Y52 PolarHBondContact O-N 3.24Å; C49-C184 HydrophobicContact CB-CB 4.2Å; C49-C184 WeakPolarHBondContact CB-SG 3.48Å; C49-C184 WeakPolarHBondContact SG-CB 3.47Å; C49-C184 CovalentContact SG-SG 2.02Å; C49-C184 PolarHBondContact SG-SG 3.34Å |
| 50 | D | 53.3 | Low | 46.4 | Very low | 133 Ų | 133 | 119 Ų | 119 | 71% | 0.711 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -67.7 | -11.7 | -175.2 | -76.9 | -14.7 | 0 | 0 | 0 | 113.4 | N47 E48 | N47-D50 PolarHBondContact ND2-OD2 2.82Å; E48-D50 VanDerWaalsContact C-N 3.3Å; E48-D50 PolarHBondContact O-N 3.39Å |
| 51 | K | 53.2 | Low | 46.3 | Very low | 170 Ų | 170 | 119.3 Ų | 119.3 | 74% | 0.739 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -96.2 | -9.3 | -177.4 | -67.1 | -178.9 | -176.5 | 177.4 | 0 | 114.5 | E48 C49 V53 | E48-K51 PolarHBondContact O-N 3.5Å; C49-K51 PolarHBondContact O-N 3.48Å; C49-K51 VanDerWaalsContact O-N 3.11Å; K51-V53 PolarHBondContact O-N 3.03Å; K51-V53 VanDerWaalsContact O-N 3.12Å |
| 52 | Y | 44 | Very low | 46.2 | Very low | 146 Ų | 146 | 121.7 Ų | 121.7 | 57% | 0.573 | 67% | 0.667 | S | S | * | * | trans | -86.4 | 88.7 | -179.2 | -129.8 | -97.8 | 0 | 0 | 0 | 110.4 | C49 | C49-Y52 PolarHBondContact O-N 3.24Š| ||
| 53 | V | 46.6 | Very low | 46 | Very low | 126 Ų | 126 | 122.7 Ų | 122.7 | 76% | 0.764 | 68% | 0.676 | S | S | * | * | trans | -60.8 | 121.1 | 161.8 | 177.3 | 0 | 0 | 0 | 0 | 106.7 | K51 N55 | K51-V53 PolarHBondContact O-N 3.03Å; K51-V53 VanDerWaalsContact O-N 3.12Å; V53-N55 PolarHBondContact O-N 3.36Å | ||
| 54 | P | 50.1 | Low | 45.5 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | trans | -65.9 | 110.8 | -174.2 | 24.8 | -30.5 | 0 | 0 | 0 | 108.9 | ||||
| 55 | N | 41.7 | Very low | 45.2 | Very low | 110 Ų | 110 | 124.5 Ų | 124.5 | 59% | 0.588 | 68% | 0.684 | S | S | * | * | trans | -71.9 | 140 | 159.4 | 94.7 | 21.3 | 0 | 0 | 0 | 107.6 | V53 S57 | V53-N55 PolarHBondContact O-N 3.36Å; N55-S57 VanDerWaalsContact C-N 3.32Å; N55-S57 PolarHBondContact O-N 3.38Å; N55-S57 PolarHBondContact OD1-OG 3.34Å | ||
| 56 | E | 40.3 | Very low | 44.7 | Very low | 192 Ų | 192 | 126.3 Ų | 126.3 | 90% | 0.897 | 69% | 0.693 | S | S | * | * | trans | -61.8 | 91.1 | 175.5 | -72 | 175.2 | 136.9 | 0 | 0 | 110 | ||||
| 57 | S | 46.4 | Very low | 44.3 | Very low | 94 Ų | 94 | 125.8 Ų | 125.8 | 66% | 0.657 | 69% | 0.688 | S | S | * | * | trans | -125.4 | 105.4 | 165 | 38.8 | 0 | 0 | 0 | 0 | 108.4 | N55 S59 | N55-S57 VanDerWaalsContact C-N 3.32Å; N55-S57 PolarHBondContact O-N 3.38Å; N55-S57 PolarHBondContact OD1-OG 3.34Å; S57-S59 PolarHBondContact O-N 2.99Å; S57-S59 VanDerWaalsContact O-N 3.12Å | ||
| 58 | N | 40 | Very low | 43.7 | Very low | 167 Ų | 167 | 125.2 Ų | 125.2 | 89% | 0.893 | 69% | 0.692 | S | S | * | * | trans | -62.2 | 105.2 | -178.6 | -63.5 | -60.4 | 0 | 0 | 0 | 110.8 | ||||
| 59 | S | 48.3 | Very low | 43.1 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 78% | 0.783 | 70% | 0.702 | S | S | * | * | trans | -153 | 74.3 | 156.6 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | S57 H61 | S57-S59 PolarHBondContact O-N 2.99Å; S57-S59 VanDerWaalsContact O-N 3.12Å; S59-H61 PolarHBondContact O-N 2.95Å; S59-H61 VanDerWaalsContact O-N 3.07Å | ||
| 60 | S | 40.4 | Very low | 42.3 | Very low | 104 Ų | 104 | 129.1 Ų | 129.1 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | trans | -78.6 | 81.7 | 178.9 | 57.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 61 | H | 40.3 | Very low | 41.6 | Very low | 178 Ų | 178 | 125.9 Ų | 125.9 | 82% | 0.824 | 72% | 0.715 | S | S | * | * | trans | -103.6 | 66.7 | 150.5 | -104.5 | -63.6 | 0 | 0 | 0 | 108 | S59 C63 | S59-H61 PolarHBondContact O-N 2.95Å; S59-H61 VanDerWaalsContact O-N 3.07Å; H61-C63 PolarHBondContact O-N 2.84Å | ||
| 62 | I | 43.4 | Very low | 41 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 66% | 0.662 | 72% | 0.722 | S | S | * | * | trans | -75.8 | 98.7 | 168 | -59.1 | 172.9 | 0 | 0 | 0 | 105.3 | D64 | I62-D64 VanDerWaalsContact C-N 3.31Å; I62-D64 VanDerWaalsContact CG2-OD1 3.28Å; I62-D64 WeakPolarHBondContact CG2-OD1 3.41Å; I62-D64 PolarHBondContact O-N 3.34Å; I62-D64 VanDerWaalsContact O-N 3.09Å | ||
| 63 | C | 39 | Very low | 40.8 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 72% | 0.723 | 72% | 0.722 | S | S | * | * | trans | -71.8 | 96.6 | 161.8 | -69.6 | 0 | 0 | 0 | 0 | 106.4 | H61 V65 | H61-C63 PolarHBondContact O-N 2.84Å; C63-V65 VanDerWaalsContact C-N 3.32Å; C63-V65 PolarHBondContact O-N 3.42Å | ||
| 64 | D | 34.3 | Very low | 40.5 | Very low | 131 Ų | 131 | 124.3 Ų | 124.3 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | trans | -60.8 | 98.4 | 169.6 | -74.4 | -34.9 | 0 | 0 | 0 | 108.2 | I62 I66 | I62-D64 VanDerWaalsContact C-N 3.31Å; I62-D64 VanDerWaalsContact CG2-OD1 3.28Å; I62-D64 WeakPolarHBondContact CG2-OD1 3.41Å; I62-D64 PolarHBondContact O-N 3.34Å; I62-D64 VanDerWaalsContact O-N 3.09Å; D64-I66 HydrophobicContact CB-CG1 4.3Å; D64-I66 PolarHBondContact O-N 2.96Å | ||
| 65 | V | 38.6 | Very low | 39.9 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 75% | 0.745 | 72% | 0.722 | S | S | * | * | trans | -70.4 | 88.2 | 164 | 177.6 | 0 | 0 | 0 | 0 | 105.6 | C63 V67 | C63-V65 VanDerWaalsContact C-N 3.32Å; C63-V65 PolarHBondContact O-N 3.42Å; V65-V67 VanDerWaalsContact C-N 3.32Å; V65-V67 HydrophobicContact CG1-CG2 4.01Å; V65-V67 PolarHBondContact O-N 3.05Å | ||
| 66 | I | 35.1 | Very low | 39.6 | Very low | 139 Ų | 139 | 128.7 Ų | 128.7 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | trans | -68 | 97.8 | 171.8 | -57.3 | -178.6 | 0 | 0 | 0 | 106.8 | D64 S68 | D64-I66 HydrophobicContact CB-CG1 4.3Å; D64-I66 PolarHBondContact O-N 2.96Å; I66-S68 VanDerWaalsContact C-N 3.33Å; I66-S68 PolarHBondContact O-N 3.49Å; I66-S68 VanDerWaalsContact O-N 3.12Å | ||
| 67 | V | 41.2 | Very low | 39.4 | Very low | 85 Ų | 85 | 125.6 Ų | 125.6 | 52% | 0.515 | 73% | 0.728 | S | S | . | * | trans | -77.6 | 90.9 | 166.2 | -177 | 0 | 0 | 0 | 0 | 106.4 | V65 D69 | V65-V67 VanDerWaalsContact C-N 3.32Å; V65-V67 HydrophobicContact CG1-CG2 4.01Å; V65-V67 PolarHBondContact O-N 3.05Å; V67-D69 PolarHBondContact O-N 3.47Å | ||
| 68 | S | 36.2 | Very low | 38.9 | Very low | 91 Ų | 91 | 126.6 Ų | 126.6 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | trans | -62.6 | 104.4 | 172.5 | -66.9 | 0 | 0 | 0 | 0 | 109.2 | I66 V70 | I66-S68 VanDerWaalsContact C-N 3.33Å; I66-S68 PolarHBondContact O-N 3.49Å; I66-S68 VanDerWaalsContact O-N 3.12Å; S68-V70 PolarHBondContact O-N 3.32Å | ||
| 69 | D | 39.2 | Very low | 38.9 | Very low | 152 Ų | 152 | 123.9 Ų | 123.9 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | trans | -76.8 | 62.2 | 166.2 | -164.8 | 30.4 | 0 | 0 | 0 | 108.8 | V67 | V67-D69 PolarHBondContact O-N 3.47Š| ||
| 70 | V | 37.3 | Very low | 38.3 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 67% | 0.667 | 72% | 0.722 | S | S | * | * | trans | -97.3 | 106.5 | 172.9 | 165 | 0 | 0 | 0 | 0 | 106.9 | S68 Y72 | S68-V70 PolarHBondContact O-N 3.32Å; V70-Y72 PolarHBondContact O-N 3.04Å; V70-Y72 VanDerWaalsContact O-N 3.16Å | ||
| 71 | G | 38.2 | Very low | 38.3 | Very low | 65 Ų | 65 | 127.8 Ų | 127.8 | 67% | 0.67 | 73% | 0.727 | S | S | * | * | trans | -47 | 120.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | S73 | G71-S73 PolarHBondContact O-N 2.85Š| ||
| 72 | Y | 39.5 | Very low | 38.1 | Very low | 226 Ų | 226 | 126.4 Ų | 126.4 | 89% | 0.886 | 72% | 0.724 | S | S | * | * | trans | -53.4 | 102.7 | -179.3 | -111.4 | -101.4 | 0 | 0 | 0 | 110.4 | V70 | V70-Y72 PolarHBondContact O-N 3.04Å; V70-Y72 VanDerWaalsContact O-N 3.16Å | ||
| 73 | S | 39.9 | Very low | 37.9 | Very low | 80 Ų | 80 | 126 Ų | 126 | 56% | 0.559 | 73% | 0.73 | S | S | * | * | trans | -90.3 | 115.7 | 147.6 | 65.3 | 0 | 0 | 0 | 0 | 106.7 | G71 N75 | G71-S73 PolarHBondContact O-N 2.85Å; S73-N75 PolarHBondContact O-N 2.76Å | ||
| 74 | P | 41.3 | Very low | 37.7 | Very low | 102 Ų | 102 | 123.8 Ų | 123.8 | 66% | 0.662 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | 125.9 | 174.8 | 27.2 | -30.8 | 0 | 0 | 0 | 107.5 | ||
| 75 | N | 38.3 | Very low | 37.7 | Very low | 158 Ų | 158 | 125.8 Ų | 125.8 | 85% | 0.845 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 111.8 | 25.4 | 169.7 | -49.2 | -21.5 | 0 | 0 | 0 | 118.4 | S73 | S73-N75 PolarHBondContact O-N 2.76Š|
| 76 | Q | 35.5 | Very low | 37.4 | Very low | 157 Ų | 157 | 132 Ų | 132 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | trans | -126.8 | 83.6 | 159.8 | -81.4 | -171.1 | 5 | 0 | 0 | 111.8 | V78 | Q76-V78 HydrophobicContact CB-CG2 4.18Å; Q76-V78 PolarHBondContact O-N 3.38Å | ||
| 77 | C | 35.3 | Very low | 37.3 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 87% | 0.865 | 75% | 0.751 | S | S | * | * | trans | -70 | 82.8 | 159.3 | -63.1 | 0 | 0 | 0 | 0 | 108.1 | S79 | C77-S79 PolarHBondContact O-N 2.73Š| ||
| 78 | V | 35.4 | Very low | 37.1 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 70% | 0.697 | 76% | 0.756 | S | S | * | * | trans | -82.6 | 105 | 169.2 | -171 | 0 | 0 | 0 | 0 | 107.3 | Q76 S80 | Q76-V78 HydrophobicContact CB-CG2 4.18Å; Q76-V78 PolarHBondContact O-N 3.38Å; V78-S80 PolarHBondContact O-N 3.26Å | ||
| 79 | S | 39.5 | Very low | 37.1 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -55.4 | 100.8 | 178.8 | -39.4 | 0 | 0 | 0 | 0 | 111.1 | C77 K81 | C77-S79 PolarHBondContact O-N 2.73Å; S79-K81 VanDerWaalsContact C-N 3.3Å; S79-K81 PolarHBondContact O-N 3.48Å | ||
| 80 | S | 35.8 | Very low | 37.3 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | -74.5 | 85.5 | 168.4 | 58.7 | 0 | 0 | 0 | 0 | 109.1 | V78 I82 | V78-S80 PolarHBondContact O-N 3.26Å; S80-I82 PolarHBondContact O-N 3.3Å; S80-I82 VanDerWaalsContact O-N 3.17Å | ||
| 81 | K | 40.3 | Very low | 37.3 | Very low | 192 Ų | 192 | 140.5 Ų | 140.5 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | -74.4 | 99.4 | 166.3 | -173.9 | 175.4 | -178.5 | 178.6 | 0 | 107.6 | S79 P83 | S79-K81 VanDerWaalsContact C-N 3.3Å; S79-K81 PolarHBondContact O-N 3.48Å; K81-P83 VanDerWaalsContact O-CD 3.23Å; K81-P83 WeakPolarHBondContact O-CD 3.34Å | ||
| 82 | I | 37.2 | Very low | 37.6 | Very low | 148 Ų | 148 | 146 Ų | 146 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | -65.5 | 115.1 | 172.3 | -59.1 | 171.2 | 0 | 0 | 0 | 107.4 | S80 G84 | S80-I82 PolarHBondContact O-N 3.3Å; S80-I82 VanDerWaalsContact O-N 3.17Å; I82-G84 PolarHBondContact O-N 2.87Å; I82-G84 VanDerWaalsContact O-N 3.13Å | ||
| 83 | P | 38.5 | Very low | 37.5 | Very low | 121 Ų | 121 | 142 Ų | 142 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -77.9 | 99.8 | 169.4 | 3 | 15.8 | 0 | 0 | 0 | 106.9 | K81 Q85 | K81-P83 VanDerWaalsContact O-CD 3.23Å; K81-P83 WeakPolarHBondContact O-CD 3.34Å; P83-Q85 PolarHBondContact O-N 3.37Å | ||
| 84 | G | 34.6 | Very low | 37.5 | Very low | 60 Ų | 60 | 142.4 Ų | 142.4 | 62% | 0.619 | 79% | 0.794 | S | S | * | * | trans | -63 | 116.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | I82 | I82-G84 PolarHBondContact O-N 2.87Å; I82-G84 VanDerWaalsContact O-N 3.13Å | ||
| 85 | Q | 34 | Very low | 37.5 | Very low | 174 Ų | 174 | 143.1 Ų | 143.1 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | 72.6 | 90.1 | 140.8 | -157.9 | -175.8 | 36.6 | 0 | 0 | 117.8 | P83 | P83-Q85 PolarHBondContact O-N 3.37Š| ||
| 86 | W | 32.8 | Very low | 37.8 | Very low | 254 Ų | 254 | 145.1 Ų | 145.1 | 96% | 0.962 | 80% | 0.803 | S | S | * | * | trans | -147 | 113.3 | 146.6 | -71.8 | 94.5 | 0 | 0 | 0 | 110.7 | ||||
| 87 | Y | 32.8 | Very low | 38.5 | Very low | 241 Ų | 241 | 143.3 Ų | 143.3 | 95% | 0.945 | 81% | 0.805 | S | S | * | * | trans | -88.9 | 114.7 | 157.6 | -153.9 | -94.8 | 0 | 0 | 0 | 105.8 | ||||
| 88 | G | 37.2 | Very low | 38.5 | Very low | 60 Ų | 60 | 146.2 Ų | 146.2 | 62% | 0.619 | 81% | 0.805 | S | S | * | * | trans | 172.8 | 94.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110 | S90 | G88-S90 PolarHBondContact O-N 2.84Š| ||
| 89 | V | 35.5 | Very low | 38.8 | Very low | 149 Ų | 149 | 144.5 Ų | 144.5 | 90% | 0.903 | 80% | 0.804 | S | S | * | * | trans | -58.9 | 114.9 | 174.7 | 172.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 90 | S | 45 | Very low | 38.8 | Very low | 108 Ų | 108 | 145.5 Ų | 145.5 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | -152.1 | 106.1 | 155.2 | 59.9 | 0 | 0 | 0 | 0 | 109.1 | G88 E92 | G88-S90 PolarHBondContact O-N 2.84Å; S90-E92 PolarHBondContact O-N 2.91Å | ||
| 91 | E | 36.3 | Very low | 39 | Very low | 196 Ų | 196 | 146.5 Ų | 146.5 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -61.8 | 116.6 | 154 | -75.3 | 174.4 | 135.7 | 0 | 0 | 108 | ||||
| 92 | E | 44.2 | Very low | 39.1 | Very low | 181 Ų | 181 | 146.4 Ų | 146.4 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -166.4 | 123.1 | 135.1 | -157.1 | 167.3 | 165 | 0 | 0 | 109.8 | S90 A94 | S90-E92 PolarHBondContact O-N 2.91Å; E92-A94 PolarHBondContact O-N 3.23Å | ||
| 93 | T | 39 | Very low | 39 | Very low | 142 Ų | 142 | 145.3 Ų | 145.3 | 87% | 0.871 | 81% | 0.809 | S | S | * | * | trans | -64.4 | 116.5 | 177.4 | 44.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 94 | A | 39 | Very low | 39 | Very low | 88 Ų | 88 | 145.9 Ų | 145.9 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -148.2 | 125.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | E92 | E92-A94 PolarHBondContact O-N 3.23Š| ||
| 95 | S | 41 | Very low | 39.4 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 134.8 | -172.6 | 54.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 96 | F | 44.8 | Very low | 39.9 | Very low | 201 Ų | 201 | 144.5 Ų | 144.5 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 129.2 | 168.5 | -64.3 | -83 | 0 | 0 | 0 | 110.8 | E98 | F96-E98 PolarHBondContact O-N 3.16Š|
| 97 | P | 49.8 | Very low | 40.3 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 122.4 | 171.8 | 29.8 | -29.8 | 0 | 0 | 0 | 110.2 | A99 | P97-A99 PolarHBondContact O-N 2.6Å; P97-A99 VanDerWaalsContact O-N 3.09Å |
| 98 | E | 35.8 | Very low | 40.6 | Very low | 188 Ų | 188 | 135.5 Ų | 135.5 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | -69 | 94.9 | 172.8 | -169.9 | 173.1 | -169.3 | 0 | 0 | 109.6 | F96 | F96-E98 PolarHBondContact O-N 3.16Š| ||
| 99 | A | 41.5 | Very low | 40.6 | Very low | 80 Ų | 80 | 142 Ų | 142 | 66% | 0.661 | 80% | 0.802 | S | S | * | * | trans | -113.9 | 94.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | P97 T101 | P97-A99 PolarHBondContact O-N 2.6Å; P97-A99 VanDerWaalsContact O-N 3.09Å; A99-T101 PolarHBondContact O-N 3.39Å | ||
| 100 | T | 40.6 | Very low | 40.6 | Very low | 130 Ų | 130 | 144 Ų | 144 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | trans | -63.8 | 85.7 | 169.9 | 45.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 101 | T | 40.1 | Very low | 40.3 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | -99.5 | 115.2 | 163.3 | 43.1 | 0 | 0 | 0 | 0 | 109.2 | A99 | A99-T101 PolarHBondContact O-N 3.39Š| ||
| 102 | K | 42.4 | Very low | 40.5 | Very low | 190 Ų | 190 | 143.4 Ų | 143.4 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -57.7 | 140.4 | 172.4 | -68.7 | -178.5 | 176.7 | -179.1 | 0 | 109 | V104 | K102-V104 PolarHBondContact O-N 2.94Å; K102-V104 VanDerWaalsContact O-N 3.13Å | ||
| 103 | P | 34.9 | Very low | 40.5 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -63 | 117.4 | -178.9 | 25.4 | -32.4 | 0 | 0 | 0 | 109.5 | ||||
| 104 | V | 38.1 | Very low | 40.7 | Very low | 133 Ų | 133 | 143.3 Ų | 143.3 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -83.9 | 111.4 | 169.2 | 175.5 | 0 | 0 | 0 | 0 | 106.4 | K102 P106 | K102-V104 PolarHBondContact O-N 2.94Å; K102-V104 VanDerWaalsContact O-N 3.13Å; V104-P106 VanDerWaalsContact O-CD 3.28Å; V104-P106 WeakPolarHBondContact O-CD 3.42Å | ||
| 105 | C | 41.8 | Very low | 41 | Very low | 108 Ų | 108 | 146 Ų | 146 | 73% | 0.73 | 80% | 0.802 | S | S | * | * | trans | -66.2 | 117.3 | 171.1 | -66.6 | 0 | 0 | 0 | 0 | 108.4 | D107 | C105-D107 PolarHBondContact O-N 3.44Š| ||
| 106 | P | 45.8 | Very low | 41.3 | Very low | 96 Ų | 96 | 145 Ų | 145 | 62% | 0.623 | 79% | 0.792 | S | S | * | * | trans | -71.2 | 126.2 | 177.7 | 26.4 | -30.1 | 0 | 0 | 0 | 110.2 | V104 M108 | V104-P106 VanDerWaalsContact O-CD 3.28Å; V104-P106 WeakPolarHBondContact O-CD 3.42Å; P106-M108 WeakPolarHBondContact O-CG 3.3Å; P106-M108 PolarHBondContact O-N 3.22Å | ||
| 107 | D | 41.5 | Very low | 41.2 | Very low | 157 Ų | 157 | 142.3 Ų | 142.3 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | -63.1 | 102.4 | 172.8 | -77.8 | -31.6 | 0 | 0 | 0 | 110.2 | C105 K109 | C105-D107 PolarHBondContact O-N 3.44Å; D107-K109 PolarHBondContact O-N 2.99Å | ||
| 108 | M | 37.6 | Very low | 40.9 | Very low | 150 Ų | 150 | 144.9 Ų | 144.9 | 74% | 0.739 | 79% | 0.789 | S | S | * | * | trans | -80.2 | 95.9 | 179.7 | -45.6 | 176.2 | -157.9 | 0 | 0 | 108.8 | P106 F110 | P106-M108 WeakPolarHBondContact O-CG 3.3Å; P106-M108 PolarHBondContact O-N 3.22Å; M108-F110 PolarHBondContact O-N 3.47Å | ||
| 109 | K | 37.9 | Very low | 41.3 | Very low | 197 Ų | 197 | 142.2 Ų | 142.2 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | -83.1 | 108.7 | 170.6 | -76.2 | -176 | 178.6 | 179.6 | 0 | 109.7 | D107 A111 | D107-K109 PolarHBondContact O-N 2.99Å; K109-A111 PolarHBondContact O-N 3.43Å | ||
| 110 | F | 36.2 | Very low | 41.5 | Very low | 189 Ų | 189 | 146.5 Ų | 146.5 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | -67.5 | 116.5 | 173 | -67.6 | -85.5 | 0 | 0 | 0 | 110 | M108 Q112 | M108-F110 PolarHBondContact O-N 3.47Å; F110-Q112 PolarHBondContact O-N 3.33Å | ||
| 111 | A | 38.3 | Very low | 42 | Very low | 98 Ų | 98 | 148 Ų | 148 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -73.1 | 110.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | K109 V113 | K109-A111 PolarHBondContact O-N 3.43Å; A111-V113 PolarHBondContact O-N 2.94Å; A111-V113 VanDerWaalsContact O-N 3.07Å | ||
| 112 | Q | 40.8 | Very low | 42.3 | Very low | 194 Ų | 194 | 150.1 Ų | 150.1 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | trans | -70.6 | 99.3 | 173.2 | -157.2 | 176.7 | 8.5 | 0 | 0 | 107.7 | F110 E114 | F110-Q112 PolarHBondContact O-N 3.33Å; Q112-E114 PolarHBondContact O-N 2.95Å | ||
| 113 | V | 44.1 | Very low | 42.6 | Very low | 133 Ų | 133 | 146 Ų | 146 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | -79.7 | 108.7 | 173.3 | 100.8 | 0 | 0 | 0 | 0 | 107.4 | A111 N115 | A111-V113 PolarHBondContact O-N 2.94Å; A111-V113 VanDerWaalsContact O-N 3.07Å; V113-N115 PolarHBondContact O-N 2.85Å; V113-N115 VanDerWaalsContact O-N 3.11Å | ||
| 114 | E | 42 | Very low | 43.4 | Very low | 189 Ų | 189 | 146 Ų | 146 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | trans | -66.1 | 104.2 | 170.9 | -111.4 | 173.3 | 162.8 | 0 | 0 | 108 | Q112 P116 | Q112-E114 PolarHBondContact O-N 2.95Å; E114-P116 WeakPolarHBondContact O-CD 3.18Å | ||
| 115 | N | 46.6 | Very low | 44 | Very low | 144 Ų | 144 | 148.4 Ų | 148.4 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -83.1 | 116.6 | 171.9 | -174.5 | 3.8 | 0 | 0 | 0 | 108.9 | V113 | V113-N115 PolarHBondContact O-N 2.85Å; V113-N115 VanDerWaalsContact O-N 3.11Å | ||
| 116 | P | 47.3 | Very low | 44.3 | Very low | 96 Ų | 96 | 153.2 Ų | 153.2 | 62% | 0.623 | 78% | 0.784 | S | S | * | * | trans | -82 | 125.9 | -179.7 | 31.7 | -30 | 0 | 0 | 0 | 111 | E114 | E114-P116 WeakPolarHBondContact O-CD 3.18Š| ||
| 117 | N | 43.2 | Very low | 44.3 | Very low | 144 Ų | 144 | 157.1 Ų | 157.1 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | 82.2 | 110 | 149.3 | -58.4 | -36.3 | 0 | 0 | 0 | 119.3 | ||||
| 118 | Q | 43.5 | Very low | 44.6 | Very low | 174 Ų | 174 | 153.5 Ų | 153.5 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | 91.6 | 102.1 | 133.5 | -72.3 | -174.6 | -10.2 | 0 | 0 | 119.9 | ||||
| 119 | V | 43.7 | Very low | 44.8 | Very low | 132 Ų | 132 | 153.7 Ų | 153.7 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | 56.4 | 88.6 | 132.2 | -169.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 120 | Q | 45.7 | Very low | 44.9 | Very low | 169 Ų | 169 | 147.6 Ų | 147.6 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | -138.5 | 123.7 | 127.8 | -79 | -155.2 | -10.6 | 0 | 0 | 110.2 | Y122 | Q120-Y122 VanDerWaalsContact C-N 3.33Å; Q120-Y122 PolarHBondContact O-N 2.66Å | |||
| 121 | D | 50.2 | Low | 45.1 | Very low | 161 Ų | 161 | 144.5 Ų | 144.5 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -69.6 | 83.3 | 178.2 | -152.5 | 8 | 0 | 0 | 0 | 108.6 | ||||
| 122 | Y | 47.4 | Very low | 44.8 | Very low | 173 Ų | 173 | 147.8 Ų | 147.8 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | -118.1 | 105.2 | 167.6 | -95.4 | -86.2 | 0 | 0 | 0 | 108.4 | Q120 N124 | Q120-Y122 VanDerWaalsContact C-N 3.33Å; Q120-Y122 PolarHBondContact O-N 2.66Å; Y122-N124 PolarHBondContact O-N 3.47Å | ||
| 123 | S | 47.5 | Very low | 44.5 | Very low | 102 Ų | 102 | 143.3 Ų | 143.3 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | trans | -60.4 | 87.2 | 164 | -76.9 | 0 | 0 | 0 | 0 | 108.6 | E125 | S123-E125 PolarHBondContact O-N 3.35Š| ||
| 124 | N | 51.9 | Low | 43.8 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 68% | 0.684 | 77% | 0.765 | S | S | * | * | trans | -92.6 | 91 | 166.8 | -59.7 | -27.6 | 0 | 0 | 0 | 106 | Y122 Y126 | Y122-N124 PolarHBondContact O-N 3.47Å; N124-Y126 PolarHBondContact O-N 2.92Å | ||
| 125 | E | 50.3 | Low | 43.4 | Very low | 183 Ų | 183 | 144 Ų | 144 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | trans | -68.5 | 75 | 165.8 | -53.6 | -179.6 | -136.2 | 0 | 0 | 107.2 | S123 E127 | S123-E125 PolarHBondContact O-N 3.35Å; E125-E127 PolarHBondContact O-N 3.18Å | ||
| 126 | Y | 49.5 | Very low | 42.8 | Very low | 208 Ų | 208 | 142.7 Ų | 142.7 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | trans | -77.7 | 81.5 | 172.4 | -160.2 | -100.3 | 0 | 0 | 0 | 106.9 | N124 A128 | N124-Y126 PolarHBondContact O-N 2.92Å; Y126-A128 PolarHBondContact O-N 2.73Å; Y126-A128 VanDerWaalsContact O-N 3.08Å | ||
| 127 | E | 45.9 | Very low | 42 | Very low | 179 Ų | 179 | 148.1 Ų | 148.1 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | -64.6 | 106.7 | 174.2 | -158.7 | 172 | -163.2 | 0 | 0 | 107.4 | E125 D129 | E125-E127 PolarHBondContact O-N 3.18Å; E127-D129 PolarHBondContact O-N 2.86Å | ||
| 128 | A | 47.1 | Very low | 41.8 | Very low | 81 Ų | 81 | 145.6 Ų | 145.6 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | trans | -59.2 | 120.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y126 A130 | Y126-A128 PolarHBondContact O-N 2.73Å; Y126-A128 VanDerWaalsContact O-N 3.08Å; A128-A130 VanDerWaalsContact C-N 3.3Å; A128-A130 PolarHBondContact O-N 3.22Å | ||
| 129 | D | 42.4 | Very low | 41.6 | Very low | 153 Ų | 153 | 142.1 Ų | 142.1 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -56 | 93.4 | 171 | -70.1 | -47.3 | 0 | 0 | 0 | 109.4 | E127 C131 | E127-D129 PolarHBondContact O-N 2.86Å; D129-C131 VanDerWaalsContact C-N 3.31Å; D129-C131 PolarHBondContact O-N 3.46Å | ||
| 130 | A | 38.5 | Very low | 41.2 | Very low | 70 Ų | 70 | 145.1 Ų | 145.1 | 58% | 0.579 | 77% | 0.771 | S | S | * | * | trans | -65.3 | 96.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | A128 F132 | A128-A130 VanDerWaalsContact C-N 3.3Å; A128-A130 PolarHBondContact O-N 3.22Å; A130-F132 VanDerWaalsContact C-N 3.27Å; A130-F132 HydrophobicContact CB-CD2 4.25Å; A130-F132 HydrophobicContact CB-CE2 3.91Å; A130-F132 HydrophobicContact CB-CZ 4.48Å; A130-F132 VanDerWaalsContact O-CD2 3.25Å; A130-F132 WeakPolarHBondContact O-CD2 3.5Å; A130-F132 PolarHBondContact O-N 3.37Å | ||
| 131 | C | 41.2 | Very low | 40.8 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | -64.3 | 91.1 | 170.1 | -157.6 | 0 | 0 | 0 | 0 | 107.2 | D129 P133 | D129-C131 VanDerWaalsContact C-N 3.31Å; D129-C131 PolarHBondContact O-N 3.46Å; C131-P133 WeakPolarHBondContact O-CD 3.27Å | ||
| 132 | F | 31.9 | Very low | 40.2 | Very low | 167 Ų | 167 | 140.3 Ų | 140.3 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | trans | -69.5 | 111.4 | 176.1 | -79.8 | -85.3 | 0 | 0 | 0 | 108.7 | A130 F134 | A130-F132 VanDerWaalsContact C-N 3.27Å; A130-F132 HydrophobicContact CB-CD2 4.25Å; A130-F132 HydrophobicContact CB-CE2 3.91Å; A130-F132 HydrophobicContact CB-CZ 4.48Å; A130-F132 VanDerWaalsContact O-CD2 3.25Å; A130-F132 WeakPolarHBondContact O-CD2 3.5Å; A130-F132 PolarHBondContact O-N 3.37Å; F132-F134 PolarHBondContact O-N 3.39Å | ||
| 133 | P | 35.6 | Very low | 39.6 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | trans | -73.5 | 120.9 | 169.9 | 12.3 | 3.1 | 0 | 0 | 0 | 107.5 | C131 D135 | C131-P133 WeakPolarHBondContact O-CD 3.27Å; P133-D135 PolarHBondContact O-N 3.31Å | ||
| 134 | F | 29.3 | Very low | 39 | Very low | 201 Ų | 201 | 142.3 Ų | 142.3 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | trans | -71.7 | 69.6 | 170 | -74 | -86.1 | 0 | 0 | 0 | 109.8 | F132 C136 | F132-F134 PolarHBondContact O-N 3.39Å; F134-C136 PolarHBondContact O-N 3.48Å | ||
| 135 | D | 33.6 | Very low | 38.2 | Very low | 137 Ų | 137 | 144.7 Ų | 144.7 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | -85.1 | 101.5 | 170.8 | -77.2 | -21.8 | 0 | 0 | 0 | 109.4 | P133 | P133-D135 PolarHBondContact O-N 3.31Š| ||
| 136 | C | 34.1 | Very low | 37.4 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | trans | 32.5 | 95.7 | 142.5 | -61.4 | 0 | 0 | 0 | 0 | 116.7 | F134 A138 | F134-C136 PolarHBondContact O-N 3.48Å; C136-A138 VanDerWaalsContact C-N 3.27Å; C136-A138 PolarHBondContact O-N 3.36Å | ||
| 137 | F | 30.6 | Very low | 36.5 | Very low | 211 Ų | 211 | 139.1 Ų | 139.1 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | trans | -62 | 87.4 | 160 | -71.1 | -84.5 | 0 | 0 | 0 | 110.3 | S139 | F137-S139 VanDerWaalsContact C-N 3.31Å; F137-S139 PolarHBondContact O-N 2.95Å | ||
| 138 | A | 37.8 | Very low | 35.8 | Very low | 90 Ų | 90 | 137 Ų | 137 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | trans | -81.8 | 83.8 | 158.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | C136 E140 | C136-A138 VanDerWaalsContact C-N 3.27Å; C136-A138 PolarHBondContact O-N 3.36Å; A138-E140 PolarHBondContact O-N 3.34Å; A138-E140 VanDerWaalsContact O-N 3.09Å | ||
| 139 | S | 39 | Very low | 35.1 | Very low | 102 Ų | 102 | 138.3 Ų | 138.3 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | -68.5 | 105.8 | 173.4 | 57 | 0 | 0 | 0 | 0 | 109.2 | F137 S141 | F137-S139 VanDerWaalsContact C-N 3.31Å; F137-S139 PolarHBondContact O-N 2.95Å; S139-S141 PolarHBondContact O-N 3.42Å | ||
| 140 | E | 35.3 | Very low | 34.6 | Very low | 195 Ų | 195 | 138.5 Ų | 138.5 | 91% | 0.911 | 77% | 0.773 | S | S | * | * | trans | -61.7 | 101.6 | 166.6 | -65.7 | 178.7 | 169.1 | 0 | 0 | 108.5 | A138 S142 | A138-E140 PolarHBondContact O-N 3.34Å; A138-E140 VanDerWaalsContact O-N 3.09Å; E140-S142 PolarHBondContact O-N 2.97Å | ||
| 141 | S | 37.9 | Very low | 34.2 | Very low | 112 Ų | 112 | 145.6 Ų | 145.6 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | -83.1 | 106.2 | 168.5 | 39.7 | 0 | 0 | 0 | 0 | 107.7 | S139 L143 | S139-S141 PolarHBondContact O-N 3.42Å; S141-L143 PolarHBondContact O-N 2.97Å | ||
| 142 | S | 36.9 | Very low | 33.8 | Very low | 116 Ų | 116 | 145.8 Ų | 145.8 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -61.7 | 121.5 | 171.9 | 58.3 | 0 | 0 | 0 | 0 | 109.6 | E140 D144 | E140-S142 PolarHBondContact O-N 2.97Å; S142-D144 PolarHBondContact O-N 3.12Å | ||
| 143 | L | 34.6 | Very low | 34.1 | Very low | 178 Ų | 178 | 142.4 Ų | 142.4 | 93% | 0.932 | 77% | 0.767 | S | S | * | * | trans | -57.9 | 97.5 | 167.9 | -84.4 | 161.8 | 0 | 0 | 0 | 110.1 | S141 | S141-L143 PolarHBondContact O-N 2.97Š| ||
| 144 | D | 35.7 | Very low | 34.2 | Very low | 140 Ų | 140 | 145 Ų | 145 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -155.4 | 112.3 | 143.6 | -144.1 | 16 | 0 | 0 | 0 | 110.5 | S142 | S142-D144 PolarHBondContact O-N 3.12Š|
| 145 | E | 34.7 | Very low | 34.3 | Very low | 177 Ų | 177 | 143.5 Ų | 143.5 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 56 | 59.6 | 151.2 | -138.6 | 171.4 | -160.3 | 0 | 0 | 119.6 | ||
| 146 | S | 33 | Very low | 34.5 | Very low | 83 Ų | 83 | 139.9 Ų | 139.9 | 58% | 0.58 | 75% | 0.751 | S | S | * | * | trans | -134.6 | 65.9 | 158.3 | 63.3 | 0 | 0 | 0 | 0 | 112.9 | V148 | S146-V148 PolarHBondContact O-N 2.97Š| ||
| 147 | H | 32.5 | Very low | 34.6 | Very low | 191 Ų | 191 | 137.1 Ų | 137.1 | 88% | 0.884 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 20.9 | 174.1 | -85.7 | -68.3 | 0 | 0 | 0 | 115.4 | ||
| 148 | V | 31 | Very low | 34.6 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 81% | 0.812 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.1 | -6.9 | -178.6 | -175.7 | 0 | 0 | 0 | 0 | 115.1 | S146 | S146-V148 PolarHBondContact O-N 2.97Š|
| 149 | I | 32.4 | Very low | 34.3 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 56% | 0.559 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -96 | -13.1 | -176.2 | -59.2 | -171.5 | 0 | 0 | 0 | 115.2 | R151 | I149-R151 VanDerWaalsContact C-N 3.28Å; I149-R151 PolarHBondContact O-N 2.75Å |
| 150 | L | 30.2 | Very low | 34 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 83% | 0.827 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | 13.5 | -172.7 | -65.5 | 177.2 | 0 | 0 | 0 | 117.1 | ||
| 151 | R | 30.9 | Very low | 34.2 | Very low | 218 Ų | 218 | 132 Ų | 132 | 82% | 0.823 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | -18.2 | 174.2 | -167.2 | 171.5 | -78.4 | -151.2 | -0.3 | 114.6 | I149 | I149-R151 VanDerWaalsContact C-N 3.28Å; I149-R151 PolarHBondContact O-N 2.75Å |
| 152 | N | 32.1 | Very low | 34.3 | Very low | 129 Ų | 129 | 131 Ų | 131 | 69% | 0.69 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -18.9 | -176.2 | -72.4 | -18.6 | 0 | 0 | 0 | 114 | ||
| 153 | D | 39.5 | Very low | 34.8 | Very low | 95 Ų | 95 | 129.5 Ų | 129.5 | 51% | 0.508 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -77.6 | -29.5 | -174.8 | -65.5 | -21.1 | 0 | 0 | 0 | 113.5 | K155 S156 S157 | D153-K155 VanDerWaalsContact C-N 3.33Å; D153-K155 PolarHBondContact O-N 2.96Å; D153-S156 PolarHBondContact O-N 2.95Å; D153-S157 PolarHBondContact O-N 2.91Å; D153-S157 PolarHBondContact O-OG 3.29Å |
| 154 | M | 36.7 | Very low | 35.8 | Very low | 154 Ų | 154 | 130 Ų | 130 | 76% | 0.759 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.4 | -30.8 | -177.4 | -158.9 | 160.8 | 86.7 | 0 | 0 | 112.8 | S157 | M154-S157 PolarHBondContact O-OG 3.37Å |
| 155 | K | 32.9 | Very low | 37.1 | Very low | 170 Ų | 170 | 125.4 Ų | 125.4 | 74% | 0.739 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -80 | -33 | 175.1 | -69 | -173.4 | 177.4 | -176.9 | 0 | 112.5 | D153 F159 | D153-K155 VanDerWaalsContact C-N 3.33Å; D153-K155 PolarHBondContact O-N 2.96Å; K155-F159 WeakPolarHBondContact O-CB 3.48Å; K155-F159 PolarHBondContact O-N 3.43Å |
| 156 | S | 36.4 | Very low | 38.8 | Very low | 61 Ų | 61 | 121.7 Ų | 121.7 | 43% | 0.427 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.4 | -41.4 | 177.6 | -172.7 | 0 | 0 | 0 | 0 | 111.3 | D153 F159 L160 | D153-S156 PolarHBondContact O-N 2.95Å; S156-F159 PolarHBondContact O-N 3.35Å; S156-L160 WeakPolarHBondContact O-CB 3.42Å; S156-L160 WeakPolarHBondContact O-CG 3.29Å; S156-L160 PolarHBondContact O-N 3.42Å |
| 157 | S | 36.7 | Very low | 40.9 | Very low | 56 Ų | 56 | 120.6 Ų | 120.6 | 39% | 0.392 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.1 | -45.4 | 179.6 | 70.7 | 0 | 0 | 0 | 0 | 112.1 | D153 M154 L160 Q161 | D153-S157 PolarHBondContact O-N 2.91Å; D153-S157 PolarHBondContact O-OG 3.29Å; M154-S157 PolarHBondContact O-OG 3.37Å; S157-L160 PolarHBondContact O-N 3.4Å; S157-Q161 WeakPolarHBondContact O-CB 3.45Å; S157-Q161 VanDerWaalsContact O-CG 3.29Å; S157-Q161 WeakPolarHBondContact O-CG 2.84Å; S157-Q161 PolarHBondContact O-N 2.86Å |
| 158 | E | 30.8 | Very low | 42.8 | Very low | 127 Ų | 127 | 119.2 Ų | 119.2 | 59% | 0.593 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.6 | -43.8 | 178 | -166.3 | 179.1 | -176.7 | 0 | 0 | 111.6 | L160 Q161 I162 | E158-L160 PolarHBondContact O-N 3.26Å; E158-Q161 PolarHBondContact O-N 3.42Å; E158-I162 HydrophobicContact CG-CD1 4.11Å; E158-I162 VanDerWaalsContact O-CG1 3.28Å; E158-I162 WeakPolarHBondContact O-CG1 3.43Å; E158-I162 PolarHBondContact O-N 3.17Å |
| 159 | F | 30.5 | Very low | 44.9 | Very low | 128 Ų | 128 | 116 Ų | 116 | 56% | 0.561 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.1 | -41.9 | 176 | -176.7 | -99.2 | 0 | 0 | 0 | 112.4 | K155 S156 Q161 I162 K163 | K155-F159 WeakPolarHBondContact O-CB 3.48Å; K155-F159 PolarHBondContact O-N 3.43Å; S156-F159 PolarHBondContact O-N 3.35Å; F159-Q161 VanDerWaalsContact C-N 3.34Å; F159-I162 PolarHBondContact O-N 2.89Å; F159-K163 HydrophobicContact CD1-CG 4.24Å; F159-K163 HydrophobicContact CE1-CG 3.88Å; F159-K163 HydrophobicContact CE2-CG 4.39Å; F159-K163 HydrophobicContact CZ-CD 4.33Å; F159-K163 HydrophobicContact CZ-CG 3.96Å; F159-K163 WeakPolarHBondContact O-CB 3.4Å; F159-K163 VanDerWaalsContact O-CG 3.29Å; F159-K163 WeakPolarHBondContact O-CG 3.43Å; F159-K163 PolarHBondContact O-N 2.91Å |
| 160 | L | 33.5 | Very low | 47.2 | Very low | 91 Ų | 91 | 114.1 Ų | 114.1 | 48% | 0.476 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.7 | -38.9 | 174.2 | -84.7 | 161.2 | 0 | 0 | 0 | 111.8 | S156 S157 E158 K163 R164 | S156-L160 WeakPolarHBondContact O-CB 3.42Å; S156-L160 WeakPolarHBondContact O-CG 3.29Å; S156-L160 PolarHBondContact O-N 3.42Å; S157-L160 PolarHBondContact O-N 3.4Å; E158-L160 PolarHBondContact O-N 3.26Å; L160-K163 PolarHBondContact O-N 3.33Å; L160-R164 WeakPolarHBondContact O-CB 3.17Å; L160-R164 VanDerWaalsContact O-CG 3.27Å; L160-R164 WeakPolarHBondContact O-CG 3.47Å; L160-R164 PolarHBondContact O-N 3.36Å |
| 161 | Q | 38.4 | Very low | 49.7 | Very low | 144 Ų | 144 | 110.3 Ų | 110.3 | 67% | 0.673 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.9 | -44.3 | 176.7 | -72.3 | -147 | 53.3 | 0 | 0 | 112 | S157 E158 F159 K163 R164 G165 | S157-Q161 WeakPolarHBondContact O-CB 3.45Å; S157-Q161 VanDerWaalsContact O-CG 3.29Å; S157-Q161 WeakPolarHBondContact O-CG 2.84Å; S157-Q161 PolarHBondContact O-N 2.86Å; E158-Q161 PolarHBondContact O-N 3.42Å; F159-Q161 VanDerWaalsContact C-N 3.34Å; Q161-K163 VanDerWaalsContact C-N 3.32Å; Q161-K163 PolarHBondContact O-N 3Å; Q161-R164 PolarHBondContact O-N 3.11Å; Q161-G165 PolarHBondContact O-N 3.34Å |
| 162 | I | 41.9 | Very low | 52.1 | Low | 91 Ų | 91 | 103.5 Ų | 103.5 | 47% | 0.467 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 174.8 | -67.4 | 165.5 | 0 | 0 | 0 | 109.9 | E158 F159 R164 G165 E166 | E158-I162 HydrophobicContact CG-CD1 4.11Å; E158-I162 VanDerWaalsContact O-CG1 3.28Å; E158-I162 WeakPolarHBondContact O-CG1 3.43Å; E158-I162 PolarHBondContact O-N 3.17Å; F159-I162 PolarHBondContact O-N 2.89Å; I162-R164 PolarHBondContact O-N 2.77Å; I162-G165 PolarHBondContact O-N 2.92Å; I162-E166 PolarHBondContact O-N 2.02Å |
| 163 | K | 47.1 | Very low | 54.6 | Low | 86 Ų | 86 | 102.2 Ų | 102.2 | 37% | 0.374 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.6 | -37 | 177.7 | -73 | -73 | 160.1 | -150.8 | 0 | 112.8 | F159 L160 Q161 E166 V167 | F159-K163 HydrophobicContact CD1-CG 4.24Å; F159-K163 HydrophobicContact CE1-CG 3.88Å; F159-K163 HydrophobicContact CE2-CG 4.39Å; F159-K163 HydrophobicContact CZ-CD 4.33Å; F159-K163 HydrophobicContact CZ-CG 3.96Å; F159-K163 WeakPolarHBondContact O-CB 3.4Å; F159-K163 VanDerWaalsContact O-CG 3.29Å; F159-K163 WeakPolarHBondContact O-CG 3.43Å; F159-K163 PolarHBondContact O-N 2.91Å; L160-K163 PolarHBondContact O-N 3.33Å; Q161-K163 VanDerWaalsContact C-N 3.32Å; Q161-K163 PolarHBondContact O-N 3Å; K163-E166 IonicContact NZ-OE2 2.6Å; K163-E166 PolarHBondContact NZ-OE2 2.9Å; K163-V167 WeakPolarHBondContact O-CB 3.31Å; K163-V167 WeakPolarHBondContact O-CG2 3.19Å; K163-V167 PolarHBondContact O-N 3.44Å |
| 164 | R | 53.9 | Low | 56.8 | Low | 188 Ų | 188 | 99.2 Ų | 99.2 | 71% | 0.709 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.5 | -39.7 | 172.7 | -78.8 | 179.3 | -177.4 | -145.5 | 2.6 | 111.7 | L160 Q161 I162 V167 Y168 | L160-R164 WeakPolarHBondContact O-CB 3.17Å; L160-R164 VanDerWaalsContact O-CG 3.27Å; L160-R164 WeakPolarHBondContact O-CG 3.47Å; L160-R164 PolarHBondContact O-N 3.36Å; Q161-R164 PolarHBondContact O-N 3.11Å; I162-R164 PolarHBondContact O-N 2.77Å; R164-V167 PolarHBondContact O-N 2.88Å; R164-Y168 VanDerWaalsContact O-CB 3.25Å; R164-Y168 WeakPolarHBondContact O-CB 3.44Å; R164-Y168 PolarHBondContact O-N 3.44Å |
| 165 | G | 64 | Low | 59.1 | Low | 43 Ų | 43 | 94.5 Ų | 94.5 | 44% | 0.443 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.5 | -47.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q161 I162 Y168 S169 | Q161-G165 PolarHBondContact O-N 3.34Å; I162-G165 PolarHBondContact O-N 2.92Å; G165-Y168 PolarHBondContact O-N 3.39Å; G165-S169 PolarHBondContact O-N 2.76Å |
| 166 | E | 70.9 | Confident | 61.5 | Low | 99 Ų | 99 | 89.8 Ų | 89.8 | 46% | 0.463 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.5 | -47.3 | 176.1 | -70.7 | 178.8 | 164.3 | 0 | 0 | 111.6 | I162 K163 Y168 S169 V170 | I162-E166 PolarHBondContact O-N 2.02Å; K163-E166 IonicContact NZ-OE2 2.6Å; K163-E166 PolarHBondContact NZ-OE2 2.9Å; E166-Y168 VanDerWaalsContact C-N 3.34Å; E166-Y168 PolarHBondContact O-N 3.34Å; E166-S169 PolarHBondContact O-N 3.26Å; E166-V170 WeakPolarHBondContact O-CG2 3.21Å; E166-V170 PolarHBondContact O-N 3.5Å |
| 167 | V | 76.1 | Confident | 63.9 | Low | 61 Ų | 61 | 93 Ų | 93 | 37% | 0.37 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 178.9 | 171.9 | 0 | 0 | 0 | 0 | 111 | K163 R164 V170 I171 | K163-V167 WeakPolarHBondContact O-CB 3.31Å; K163-V167 WeakPolarHBondContact O-CG2 3.19Å; K163-V167 PolarHBondContact O-N 3.44Å; R164-V167 PolarHBondContact O-N 2.88Å; V167-V170 PolarHBondContact O-N 2.9Å; V167-I171 HydrophobicContact CG1-CD1 3.61Å; V167-I171 HydrophobicContact CG1-CG1 4.32Å; V167-I171 WeakPolarHBondContact O-CB 3.37Å; V167-I171 VanDerWaalsContact O-CG1 3.27Å; V167-I171 WeakPolarHBondContact O-CG1 2.98Å; V167-I171 PolarHBondContact O-N 3.22Å |
| 168 | Y | 73.3 | Confident | 66.4 | Low | 162 Ų | 162 | 93.5 Ų | 93.5 | 64% | 0.635 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64.1 | -42.3 | 177.9 | -170.5 | -93.6 | 0 | 0 | 0 | 111.8 | R164 G165 E166 I171 K172 | R164-Y168 VanDerWaalsContact O-CB 3.25Å; R164-Y168 WeakPolarHBondContact O-CB 3.44Å; R164-Y168 PolarHBondContact O-N 3.44Å; G165-Y168 PolarHBondContact O-N 3.39Å; E166-Y168 VanDerWaalsContact C-N 3.34Å; E166-Y168 PolarHBondContact O-N 3.34Å; Y168-I171 PolarHBondContact O-N 3.29Å; Y168-K172 HydrophobicContact CE1-CD 4.3Å; Y168-K172 WeakPolarHBondContact O-CB 3.34Å; Y168-K172 PolarHBondContact O-N 3.45Å |
| 169 | S | 73.8 | Confident | 69 | Low | 65 Ų | 65 | 91.6 Ų | 91.6 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 176.1 | 176.7 | 0 | 0 | 0 | 0 | 111.7 | G165 E166 K172 E173 | G165-S169 PolarHBondContact O-N 2.76Å; E166-S169 PolarHBondContact O-N 3.26Å; S169-K172 PolarHBondContact O-N 2.79Å; S169-E173 WeakPolarHBondContact O-CG 3.25Å; S169-E173 PolarHBondContact O-N 3.47Å |
| 170 | V | 81.1 | Confident | 71.6 | Confident | 71 Ų | 71 | 91.2 Ų | 91.2 | 43% | 0.43 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 178.2 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | E166 V167 K172 E173 E174 | E166-V170 WeakPolarHBondContact O-CG2 3.21Å; E166-V170 PolarHBondContact O-N 3.5Å; V167-V170 PolarHBondContact O-N 2.9Å; V170-K172 PolarHBondContact O-N 2.98Å; V170-E173 PolarHBondContact O-N 3.36Å; V170-E174 WeakPolarHBondContact O-CB 3.5Å; V170-E174 PolarHBondContact O-N 3.23Å |
| 171 | I | 83.2 | Confident | 73.9 | Confident | 77 Ų | 77 | 88.4 Ų | 88.4 | 40% | 0.395 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 177.8 | -67.9 | 170.6 | 0 | 0 | 0 | 110.9 | V167 Y168 E174 I175 | V167-I171 HydrophobicContact CG1-CD1 3.61Å; V167-I171 HydrophobicContact CG1-CG1 4.32Å; V167-I171 WeakPolarHBondContact O-CB 3.37Å; V167-I171 VanDerWaalsContact O-CG1 3.27Å; V167-I171 WeakPolarHBondContact O-CG1 2.98Å; V167-I171 PolarHBondContact O-N 3.22Å; Y168-I171 PolarHBondContact O-N 3.29Å; I171-E174 PolarHBondContact O-N 2.83Å; I171-I175 HydrophobicContact CG2-CD1 3.73Å; I171-I175 HydrophobicContact CG2-CG1 4.34Å; I171-I175 VanDerWaalsContact O-CG1 3.31Å; I171-I175 WeakPolarHBondContact O-CG1 3.39Å; I171-I175 PolarHBondContact O-N 3.12Å |
| 172 | K | 81.3 | Confident | 75.9 | Confident | 76 Ų | 76 | 85.3 Ų | 85.3 | 33% | 0.33 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 178.5 | 179.8 | -177.4 | 173.9 | -176.3 | 0 | 111.5 | Y168 S169 V170 E174 I175 L176 | Y168-K172 HydrophobicContact CE1-CD 4.3Å; Y168-K172 WeakPolarHBondContact O-CB 3.34Å; Y168-K172 PolarHBondContact O-N 3.45Å; S169-K172 PolarHBondContact O-N 2.79Å; V170-K172 PolarHBondContact O-N 2.98Å; K172-E174 VanDerWaalsContact C-N 3.33Å; K172-E174 PolarHBondContact O-N 3.45Å; K172-I175 PolarHBondContact O-N 2.87Å; K172-L176 WeakPolarHBondContact O-CB 3.47Å; K172-L176 PolarHBondContact O-N 3.22Å |
| 173 | E | 84.4 | Confident | 77.7 | Confident | 101 Ų | 101 | 86.6 Ų | 86.6 | 47% | 0.472 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.8 | -38 | 177.7 | -70.9 | -55.5 | 130.6 | 0 | 0 | 112.1 | S169 V170 L176 R177 | S169-E173 WeakPolarHBondContact O-CG 3.25Å; S169-E173 PolarHBondContact O-N 3.47Å; V170-E173 PolarHBondContact O-N 3.36Å; E173-L176 PolarHBondContact O-N 3.08Å; E173-R177 WeakPolarHBondContact O-CB 3.41Å; E173-R177 PolarHBondContact O-N 2.97Å |
| 174 | E | 85.2 | Confident | 79.2 | Confident | 32 Ų | 32 | 84.1 Ų | 84.1 | 15% | 0.15 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.5 | -46.8 | 175.7 | -163.1 | 69.1 | -146.3 | 0 | 0 | 112 | N38 V170 I171 K172 L176 R177 I178 | N38-E174 VanDerWaalsContact ND2-CD 3.31Å; N38-E174 PolarHBondContact ND2-OE1 3.21Å; V170-E174 WeakPolarHBondContact O-CB 3.5Å; V170-E174 PolarHBondContact O-N 3.23Å; I171-E174 PolarHBondContact O-N 2.83Å; K172-E174 VanDerWaalsContact C-N 3.33Å; K172-E174 PolarHBondContact O-N 3.45Å; E174-L176 VanDerWaalsContact C-N 3.31Å; E174-L176 PolarHBondContact O-N 2.84Å; E174-R177 VanDerWaalsContact CD-CZ 3.49Å; E174-R177 VanDerWaalsContact CD-NH2 3.3Å; E174-R177 WeakPolarHBondContact O-CB 3.4Å; E174-R177 PolarHBondContact O-N 3.09Å; E174-R177 IonicContact OE1-CZ 2.73Å; E174-R177 IonicContact OE1-NH1 3.61Å; E174-R177 PolarHBondContact OE1-NH1 3.06Å; E174-R177 IonicContact OE1-NH2 3.34Å; E174-R177 IonicContact OE2-CZ 3.04Å; E174-R177 IonicContact OE2-NH1 2.66Å; E174-R177 PolarHBondContact OE2-NH1 3.17Å; E174-R177 IonicContact OE2-NH2 3.15Å; E174-R177 PolarHBondContact OE2-NH2 3.39Å; E174-I178 HydrophobicContact CG-CD1 4.35Å; E174-I178 WeakPolarHBondContact O-CG1 3.04Å; E174-I178 PolarHBondContact O-N 2.97Å |
| 175 | I | 85.1 | Confident | 80.5 | Confident | 56 Ų | 56 | 80.9 Ų | 80.9 | 29% | 0.287 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.5 | -44 | 176.4 | -70.2 | 171.1 | 0 | 0 | 0 | 110.2 | I171 K172 R177 I178 L179 | I171-I175 HydrophobicContact CG2-CD1 3.73Å; I171-I175 HydrophobicContact CG2-CG1 4.34Å; I171-I175 VanDerWaalsContact O-CG1 3.31Å; I171-I175 WeakPolarHBondContact O-CG1 3.39Å; I171-I175 PolarHBondContact O-N 3.12Å; K172-I175 PolarHBondContact O-N 2.87Å; I175-R177 VanDerWaalsContact C-N 3.31Å; I175-R177 PolarHBondContact O-N 3.46Å; I175-I178 PolarHBondContact O-N 2.85Å; I175-L179 HydrophobicContact CG2-CD1 3.96Å; I175-L179 HydrophobicContact CG2-CG 4.41Å; I175-L179 WeakPolarHBondContact O-CG 2.81Å; I175-L179 PolarHBondContact O-N 3.38Å |
| 176 | L | 85.1 | Confident | 80.9 | Confident | 70 Ų | 70 | 87.8 Ų | 87.8 | 37% | 0.366 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 178.6 | -171.7 | 66.8 | 0 | 0 | 0 | 111.6 | K172 E173 E174 L179 K180 | K172-L176 WeakPolarHBondContact O-CB 3.47Å; K172-L176 PolarHBondContact O-N 3.22Å; E173-L176 PolarHBondContact O-N 3.08Å; E174-L176 VanDerWaalsContact C-N 3.31Å; E174-L176 PolarHBondContact O-N 2.84Å; L176-L179 PolarHBondContact O-N 3.4Å; L176-K180 WeakPolarHBondContact O-CG 3.4Å; L176-K180 PolarHBondContact O-N 2.93Å |
| 177 | R | 86.3 | Confident | 81.2 | Confident | 128 Ų | 128 | 89.7 Ų | 89.7 | 48% | 0.483 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 175.8 | -163 | -166.8 | -43.6 | 136 | 15.8 | 111.7 | E173 E174 I175 K180 A181 | E173-R177 WeakPolarHBondContact O-CB 3.41Å; E173-R177 PolarHBondContact O-N 2.97Å; E174-R177 VanDerWaalsContact CD-CZ 3.49Å; E174-R177 VanDerWaalsContact CD-NH2 3.3Å; E174-R177 WeakPolarHBondContact O-CB 3.4Å; E174-R177 PolarHBondContact O-N 3.09Å; E174-R177 IonicContact OE1-CZ 2.73Å; E174-R177 IonicContact OE1-NH1 3.61Å; E174-R177 PolarHBondContact OE1-NH1 3.06Å; E174-R177 IonicContact OE1-NH2 3.34Å; E174-R177 IonicContact OE2-CZ 3.04Å; E174-R177 IonicContact OE2-NH1 2.66Å; E174-R177 PolarHBondContact OE2-NH1 3.17Å; E174-R177 IonicContact OE2-NH2 3.15Å; E174-R177 PolarHBondContact OE2-NH2 3.39Å; I175-R177 VanDerWaalsContact C-N 3.31Å; I175-R177 PolarHBondContact O-N 3.46Å; R177-K180 PolarHBondContact O-N 3.08Å; R177-A181 WeakPolarHBondContact O-CB 3.28Å; R177-A181 PolarHBondContact O-N 3.03Å |
| 178 | I | 88.4 | Confident | 81.1 | Confident | 68 Ų | 68 | 90 Ų | 90 | 35% | 0.349 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 176.5 | -68.4 | 160.9 | 0 | 0 | 0 | 110.1 | E174 I175 K180 A181 T182 | E174-I178 HydrophobicContact CG-CD1 4.35Å; E174-I178 WeakPolarHBondContact O-CG1 3.04Å; E174-I178 PolarHBondContact O-N 2.97Å; I175-I178 PolarHBondContact O-N 2.85Å; I178-K180 PolarHBondContact O-N 2.96Å; I178-A181 PolarHBondContact O-N 3.17Å; I178-T182 HydrophobicContact CG2-CG2 4.39Å; I178-T182 WeakPolarHBondContact O-CG2 3.48Å; I178-T182 PolarHBondContact O-N 2.98Å; I178-T182 PolarHBondContact O-OG1 3.39Å |
| 179 | L | 86.4 | Confident | 81.4 | Confident | 87 Ų | 87 | 85.9 Ų | 85.9 | 46% | 0.455 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.7 | -47.2 | 177.7 | -75.5 | 170.8 | 0 | 0 | 0 | 111.8 | I175 L176 A181 T182 Q183 | I175-L179 HydrophobicContact CG2-CD1 3.96Å; I175-L179 HydrophobicContact CG2-CG 4.41Å; I175-L179 WeakPolarHBondContact O-CG 2.81Å; I175-L179 PolarHBondContact O-N 3.38Å; L176-L179 PolarHBondContact O-N 3.4Å; L179-A181 PolarHBondContact O-N 3.44Å; L179-T182 WeakPolarHBondContact CA-OG1 3.47Å; L179-T182 PolarHBondContact O-N 3Å; L179-T182 PolarHBondContact O-OG1 2.73Å; L179-Q183 WeakPolarHBondContact O-CB 3.47Å; L179-Q183 PolarHBondContact O-N 3.01Å |
| 180 | K | 85.1 | Confident | 81.4 | Confident | 120 Ų | 120 | 86.1 Ų | 86.1 | 52% | 0.522 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 175.9 | -74.9 | 176.6 | 178.7 | 178.1 | 0 | 112.1 | L176 R177 I178 T182 Q183 C184 | L176-K180 WeakPolarHBondContact O-CG 3.4Å; L176-K180 PolarHBondContact O-N 2.93Å; R177-K180 PolarHBondContact O-N 3.08Å; I178-K180 PolarHBondContact O-N 2.96Å; K180-T182 PolarHBondContact O-N 3.13Å; K180-Q183 PolarHBondContact O-N 2.85Å; K180-C184 PolarHBondContact O-N 3.02Å; K180-C184 PolarHBondContact O-SG 2.77Å; K180-C184 VanDerWaalsContact O-SG 3.34Å |
| 181 | A | 81.7 | Confident | 81.2 | Confident | 31 Ų | 31 | 87.5 Ų | 87.5 | 26% | 0.256 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R177 I178 L179 Q183 C184 K185 | R177-A181 WeakPolarHBondContact O-CB 3.28Å; R177-A181 PolarHBondContact O-N 3.03Å; I178-A181 PolarHBondContact O-N 3.17Å; L179-A181 PolarHBondContact O-N 3.44Å; A181-Q183 VanDerWaalsContact C-N 3.33Å; A181-Q183 PolarHBondContact O-N 3.29Å; A181-C184 PolarHBondContact O-N 3.13Å; A181-K185 PolarHBondContact O-N 3.4Å |
| 182 | T | 79.8 | Confident | 80.5 | Confident | 79 Ų | 79 | 88.9 Ų | 88.9 | 49% | 0.485 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65 | -37 | 175.8 | 56.6 | 0 | 0 | 0 | 0 | 112.4 | I178 L179 K180 K185 W186 | I178-T182 HydrophobicContact CG2-CG2 4.39Å; I178-T182 WeakPolarHBondContact O-CG2 3.48Å; I178-T182 PolarHBondContact O-N 2.98Å; I178-T182 PolarHBondContact O-OG1 3.39Å; L179-T182 WeakPolarHBondContact CA-OG1 3.47Å; L179-T182 PolarHBondContact O-N 3Å; L179-T182 PolarHBondContact O-OG1 2.73Å; K180-T182 PolarHBondContact O-N 3.13Å; T182-K185 PolarHBondContact O-N 3.18Å; T182-W186 WeakPolarHBondContact O-CB 3.42Å; T182-W186 PolarHBondContact O-N 3.44Å |
| 183 | Q | 80.4 | Confident | 79.5 | Confident | 119 Ų | 119 | 95.8 Ų | 95.8 | 56% | 0.556 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.4 | -41.3 | 176.3 | -171.9 | -179.5 | 9.2 | 0 | 0 | 111.6 | L179 K180 A181 W186 R187 | L179-Q183 WeakPolarHBondContact O-CB 3.47Å; L179-Q183 PolarHBondContact O-N 3.01Å; K180-Q183 PolarHBondContact O-N 2.85Å; A181-Q183 VanDerWaalsContact C-N 3.33Å; A181-Q183 PolarHBondContact O-N 3.29Å; Q183-W186 PolarHBondContact O-N 3.28Å; Q183-R187 PolarHBondContact O-N 3.09Å |
| 184 | C | 77.3 | Confident | 79.2 | Confident | 33 Ų | 33 | 95.6 Ų | 95.6 | 22% | 0.223 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -61 | -46.3 | 173.3 | -68.8 | 0 | 0 | 0 | 0 | 111.6 | C49 K180 A181 W186 R187 T188 | C49-C184 HydrophobicContact CB-CB 4.2Å; C49-C184 WeakPolarHBondContact CB-SG 3.48Å; C49-C184 WeakPolarHBondContact SG-CB 3.47Å; C49-C184 CovalentContact SG-SG 2.02Å; C49-C184 PolarHBondContact SG-SG 3.34Å; K180-C184 PolarHBondContact O-N 3.02Å; K180-C184 PolarHBondContact O-SG 2.77Å; K180-C184 VanDerWaalsContact O-SG 3.34Å; A181-C184 PolarHBondContact O-N 3.13Å; C184-W186 VanDerWaalsContact C-N 3.29Å; C184-W186 PolarHBondContact O-N 3.25Å; C184-R187 WeakPolarHBondContact O-CB 3.23Å; C184-R187 PolarHBondContact O-N 3.21Å; C184-R187 VanDerWaalsContact O-N 3.08Å; C184-T188 PolarHBondContact O-N 3.07Å; C184-T188 PolarHBondContact O-OG1 3.4Å |
| 185 | K | 80.9 | Confident | 78.9 | Confident | 120 Ų | 120 | 98.9 Ų | 98.9 | 52% | 0.522 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | -179.4 | -176.1 | 53.9 | 177 | 155 | 0 | 111.5 | A181 T182 R187 T188 D189 | A181-K185 PolarHBondContact O-N 3.4Å; T182-K185 PolarHBondContact O-N 3.18Å; K185-R187 VanDerWaalsContact C-N 3.32Å; K185-R187 PolarHBondContact O-N 2.97Å; K185-T188 WeakPolarHBondContact CA-OG1 3.5Å; K185-T188 PolarHBondContact O-N 3.32Å; K185-T188 PolarHBondContact O-OG1 3.3Å; K185-D189 WeakPolarHBondContact CE-OD1 3.28Å; K185-D189 WeakPolarHBondContact CE-OD2 3.35Å; K185-D189 IonicContact NZ-OD1 2.73Å; K185-D189 PolarHBondContact NZ-OD1 3.07Å; K185-D189 IonicContact NZ-OD2 3.56Å; K185-D189 WeakPolarHBondContact O-CB 3.35Å; K185-D189 PolarHBondContact O-N 3.05Å |
| 186 | W | 73.1 | Confident | 78.6 | Confident | 189 Ų | 189 | 101.3 Ų | 101.3 | 72% | 0.716 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65 | -36 | 175.4 | -155.5 | 71 | 0 | 0 | 0 | 112.4 | T182 Q183 C184 N190 | T182-W186 WeakPolarHBondContact O-CB 3.42Å; T182-W186 PolarHBondContact O-N 3.44Å; Q183-W186 PolarHBondContact O-N 3.28Å; C184-W186 VanDerWaalsContact C-N 3.29Å; C184-W186 PolarHBondContact O-N 3.25Å; W186-N190 VanDerWaalsContact CE2-ND2 3.34Å; W186-N190 PolarHBondContact O-N 3.34Å; W186-N190 PolarHBondContact O-ND2 3.47Å |
| 187 | R | 77.6 | Confident | 78.2 | Confident | 138 Ų | 138 | 103.1 Ų | 103.1 | 52% | 0.521 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.8 | -47.7 | 174.6 | -171.8 | 179.3 | -66.5 | 164.8 | -1.4 | 111.7 | Q183 C184 K185 D189 N190 D191 | Q183-R187 PolarHBondContact O-N 3.09Å; C184-R187 WeakPolarHBondContact O-CB 3.23Å; C184-R187 PolarHBondContact O-N 3.21Å; C184-R187 VanDerWaalsContact O-N 3.08Å; K185-R187 VanDerWaalsContact C-N 3.32Å; K185-R187 PolarHBondContact O-N 2.97Å; R187-D189 VanDerWaalsContact C-N 3.29Å; R187-D189 PolarHBondContact O-N 3.12Å; R187-N190 PolarHBondContact O-N 3.11Å; R187-D191 WeakPolarHBondContact CG-OD2 3.41Å; R187-D191 PolarHBondContact O-N 3.41Å |
| 188 | T | 73.5 | Confident | 77.7 | Confident | 68 Ų | 68 | 101.6 Ų | 101.6 | 42% | 0.417 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.2 | -36 | 179.8 | 54.4 | 0 | 0 | 0 | 0 | 112.9 | C184 K185 | C184-T188 PolarHBondContact O-N 3.07Å; C184-T188 PolarHBondContact O-OG1 3.4Å; K185-T188 WeakPolarHBondContact CA-OG1 3.5Å; K185-T188 PolarHBondContact O-N 3.32Å; K185-T188 PolarHBondContact O-OG1 3.3Å |
| 189 | D | 79 | Confident | 77 | Confident | 76 Ų | 76 | 103.8 Ų | 103.8 | 41% | 0.406 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -74.9 | -32.4 | -178.6 | -67.1 | -12.7 | 0 | 0 | 0 | 111.9 | K185 R187 | K185-D189 WeakPolarHBondContact CE-OD1 3.28Å; K185-D189 WeakPolarHBondContact CE-OD2 3.35Å; K185-D189 IonicContact NZ-OD1 2.73Å; K185-D189 PolarHBondContact NZ-OD1 3.07Å; K185-D189 IonicContact NZ-OD2 3.56Å; K185-D189 WeakPolarHBondContact O-CB 3.35Å; K185-D189 PolarHBondContact O-N 3.05Å; R187-D189 VanDerWaalsContact C-N 3.29Å; R187-D189 PolarHBondContact O-N 3.12Å |
| 190 | N | 74.1 | Confident | 76.3 | Confident | 70 Ų | 70 | 105 Ų | 105 | 37% | 0.374 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -81.1 | -31.5 | 177.2 | -73.6 | -59.1 | 0 | 0 | 0 | 113.3 | W186 R187 S192 M193 | W186-N190 VanDerWaalsContact CE2-ND2 3.34Å; W186-N190 PolarHBondContact O-N 3.34Å; W186-N190 PolarHBondContact O-ND2 3.47Å; R187-N190 PolarHBondContact O-N 3.11Å; N190-S192 PolarHBondContact O-N 3.22Å; N190-M193 PolarHBondContact O-N 3.4Å |
| 191 | D | 76.3 | Confident | 75.6 | Confident | 100 Ų | 100 | 103.8 Ų | 103.8 | 54% | 0.535 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.5 | -14.2 | 176.6 | -70.4 | -20 | 0 | 0 | 0 | 112.5 | R187 | R187-D191 WeakPolarHBondContact CG-OD2 3.41Å; R187-D191 PolarHBondContact O-N 3.41Å |
| 192 | S | 69.2 | Low | 75.1 | Confident | 106 Ų | 106 | 109.9 Ų | 109.9 | 74% | 0.741 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -4.9 | 177.4 | -172.5 | 0 | 0 | 0 | 0 | 114.4 | N190 | N190-S192 PolarHBondContact O-N 3.22Š|
| 193 | M | 60.3 | Low | 74.7 | Confident | 221 Ų | 221 | 112.7 Ų | 112.7 | 100% | 1.089 | 56% | 0.555 | S | S | * | * | trans | -98.3 | 0 | 177.5 | -71.3 | -172 | 74.9 | 0 | 0 | 111.8 | N190 | N190-M193 PolarHBondContact O-N 3.4Š|
Retrieved 193 of 193 residues in 185.6 ms
(Link to these results)