| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.3 | Very low | 37.8 | Very low | 224 Ų | 224 | 159.5 Ų | 159.5 | 100% | 1.103 | 83% | 0.831 | S | S | * | * | 0 | 101.5 | 0 | -167.7 | 164 | -176.3 | 0 | 0 | 106.3 | |||||
| 2 | F | 37.8 | Very low | 37.8 | Very low | 178 Ų | 178 | 160.3 Ų | 160.3 | 78% | 0.781 | 84% | 0.836 | S | S | * | * | trans | 49.2 | 101.5 | 167.2 | -62.8 | -81.2 | 0 | 0 | 0 | 118.2 | ||||
| 3 | E | 35.6 | Very low | 38 | Very low | 172 Ų | 172 | 158.8 Ų | 158.8 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | 62 | 108.2 | 72.7 | -77.4 | -168.7 | 142.2 | 0 | 0 | 116.1 | |||||
| 4 | T | 34 | Very low | 37.7 | Very low | 117 Ų | 117 | 160.7 Ų | 160.7 | 72% | 0.718 | 83% | 0.83 | S | S | * | * | 52.1 | 120.2 | 122.4 | -27 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 5 | V | 46.2 | Very low | 37.8 | Very low | 149 Ų | 149 | 161.4 Ų | 161.4 | 90% | 0.903 | 83% | 0.828 | S | S | * | * | trans | -145.7 | 116.7 | 136.5 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 6 | D | 35.2 | Very low | 37.6 | Very low | 151 Ų | 151 | 158.6 Ų | 158.6 | 81% | 0.807 | 82% | 0.815 | S | S | * | * | trans | -81.8 | 151 | 165 | -174.3 | 12.1 | 0 | 0 | 0 | 109.8 | ||||
| 7 | G | 40.6 | Very low | 37.4 | Very low | 65 Ų | 65 | 156.5 Ų | 156.5 | 67% | 0.67 | 82% | 0.817 | S | S | * | * | trans | 174.9 | 82.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 8 | S | 36.7 | Very low | 37.2 | Very low | 122 Ų | 122 | 157.9 Ų | 157.9 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | 50.8 | 114.4 | 137.9 | -69.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 9 | R | 37.8 | Very low | 37.3 | Very low | 249 Ų | 249 | 159.3 Ų | 159.3 | 94% | 0.94 | 82% | 0.824 | S | S | * | * | trans | -154.3 | 109.6 | 131.7 | -142.5 | 172.2 | -168.2 | 171.9 | 2.7 | 111.6 | ||||
| 10 | K | 36.7 | Very low | 37.1 | Very low | 184 Ų | 184 | 155.5 Ų | 155.5 | 80% | 0.8 | 83% | 0.825 | S | S | * | * | trans | -79.2 | 160.5 | 158.5 | -71.9 | 176.1 | 174 | 177.2 | 0 | 108.5 | ||||
| 11 | D | 36.6 | Very low | 37.1 | Very low | 143 Ų | 143 | 151.6 Ų | 151.6 | 77% | 0.765 | 82% | 0.823 | S | S | * | * | trans | 109.2 | 110.6 | 162.9 | -52 | -24.5 | 0 | 0 | 0 | 116.4 | ||||
| 12 | L | 38 | Very low | 37.5 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | 158.5 | 76.3 | 152.5 | -92.8 | 145.3 | 0 | 0 | 0 | 107.1 | ||||
| 13 | I | 40.7 | Very low | 37.8 | Very low | 140 Ų | 140 | 145.5 Ų | 145.5 | 72% | 0.718 | 81% | 0.807 | S | S | * | * | 51.1 | 98 | 83.7 | -54 | -179.4 | 0 | 0 | 0 | 112.8 | |||||
| 14 | E | 33.1 | Very low | 38.3 | Very low | 186 Ų | 186 | 144.9 Ų | 144.9 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | 33.1 | 110.2 | 133.9 | -113.8 | 172.9 | 162.3 | 0 | 0 | 118.3 | ||||
| 15 | H | 39.5 | Very low | 38.9 | Very low | 171 Ų | 171 | 144 Ų | 144 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -131.5 | 117.8 | 162 | -117.1 | -83.4 | 0 | 0 | 0 | 110.2 | ||||
| 16 | D | 35.3 | Very low | 39 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 63% | 0.626 | 77% | 0.768 | S | S | * | * | trans | 68.7 | 80.1 | 146.5 | -65.7 | -30.9 | 0 | 0 | 0 | 120.8 | F18 | D16-F18 PolarHBondContact O-N 3.16Š| ||
| 17 | S | 33.2 | Very low | 39.8 | Very low | 122 Ų | 122 | 141 Ų | 141 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | trans | -63.4 | 90 | 135.5 | 37.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 18 | F | 34 | Very low | 40.5 | Very low | 182 Ų | 182 | 143.1 Ų | 143.1 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | trans | -137.7 | 48.9 | 174.4 | -133.7 | -87.5 | 0 | 0 | 0 | 112.5 | D16 | D16-F18 PolarHBondContact O-N 3.16Š| ||
| 19 | L | 39.2 | Very low | 41.5 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 96% | 0.963 | 74% | 0.744 | S | S | * | * | trans | -145.5 | 81.9 | 172 | -71.9 | 174.9 | 0 | 0 | 0 | 109.4 | ||||
| 20 | G | 32.8 | Very low | 42.1 | Very low | 83 Ų | 83 | 136.2 Ų | 136.2 | 86% | 0.856 | 72% | 0.722 | S | S | * | * | trans | -166.8 | 34.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 21 | G | 37.1 | Very low | 43 | Very low | 75 Ų | 75 | 131.7 Ų | 131.7 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | trans | -121.6 | 3.4 | -165.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 22 | T | 46.7 | Very low | 44.2 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 70% | 0.699 | 69% | 0.693 | S | S | * | * | trans | -107.5 | -3.3 | -171.3 | 53.4 | 0 | 0 | 0 | 0 | 115.9 | R24 | T22-R24 VanDerWaalsContact C-N 3.27Å; T22-R24 PolarHBondContact O-N 2.93Å; T22-R24 VanDerWaalsContact O-N 3.12Å | ||
| 23 | D | 45.6 | Very low | 45 | Very low | 159 Ų | 159 | 121.7 Ų | 121.7 | 85% | 0.85 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | 15.5 | -167.9 | -76.6 | -19.9 | 0 | 0 | 0 | 115.9 | ||
| 24 | R | 46.1 | Very low | 45.7 | Very low | 159 Ų | 159 | 119.3 Ų | 119.3 | 60% | 0.6 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.3 | 28.5 | -178.2 | -99.6 | -173.8 | 170 | 161.3 | -3.7 | 116.3 | T22 R26 | T22-R24 VanDerWaalsContact C-N 3.27Å; T22-R24 PolarHBondContact O-N 2.93Å; T22-R24 VanDerWaalsContact O-N 3.12Å; R24-R26 PolarHBondContact O-N 3.25Å |
| 25 | M | 46.2 | Very low | 47 | Very low | 98 Ų | 98 | 114.8 Ų | 114.8 | 48% | 0.483 | 63% | 0.628 | S | S | . | * | trans | -69.3 | 124.1 | 165.2 | -77.1 | -175.3 | -179.5 | 0 | 0 | 109.9 | L30 | M25-L30 HydrophobicContact CB-CD1 4.14Å; M25-L30 HydrophobicContact CB-CD2 4.42Å; M25-L30 HydrophobicContact CB-CG 4.09Å; M25-L30 HydrophobicContact SD-CD2 3.97Å | ||
| 26 | R | 48.7 | Very low | 48.1 | Very low | 138 Ų | 138 | 114.4 Ų | 114.4 | 52% | 0.521 | 63% | 0.626 | S | S | . | * | trans | -53.9 | 132.7 | 175.5 | -82.9 | -171.9 | 177.1 | -166.1 | -4.5 | 109.4 | R24 D28 F29 L30 E176 | R24-R26 PolarHBondContact O-N 3.25Å; R26-D28 PolarHBondContact O-N 3.35Å; R26-D28 VanDerWaalsContact O-N 3.14Å; R26-F29 HydrophobicContact CB-CB 4.27Å; R26-F29 WeakPolarHBondContact O-CB 3.24Å; R26-F29 PolarHBondContact O-N 3.17Å; R26-L30 PolarHBondContact O-N 3.43Å; R26-L30 VanDerWaalsContact O-N 3.17Å; R26-E176 IonicContact CZ-OE2 4Å; R26-E176 IonicContact NH1-OE2 2.59Å; R26-E176 VanDerWaalsContact NH2-CD 3.33Å; R26-E176 IonicContact NH2-OE2 3.33Å; R26-E176 PolarHBondContact NH2-OE2 3.31Å | ||
| 27 | P | 51.9 | Low | 48.8 | Very low | 99 Ų | 99 | 111.2 Ų | 111.2 | 64% | 0.643 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -53.4 | -35.6 | 176.5 | -17.8 | 23.3 | 0 | 0 | 0 | 112.1 | F29 L30 N31 | P27-F29 VanDerWaalsContact C-N 3.34Å; P27-F29 PolarHBondContact O-N 3.45Å; P27-L30 PolarHBondContact O-N 2.85Å; P27-N31 VanDerWaalsContact O-CB 3.23Å; P27-N31 WeakPolarHBondContact O-CB 3.37Å; P27-N31 PolarHBondContact O-N 2.9Å |
| 28 | D | 55.4 | Low | 49.8 | Very low | 111 Ų | 111 | 106.9 Ų | 106.9 | 59% | 0.594 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69 | -31.3 | 179.7 | -52.2 | -33.6 | 0 | 0 | 0 | 113 | R26 S32 | R26-D28 PolarHBondContact O-N 3.35Å; R26-D28 VanDerWaalsContact O-N 3.14Å; D28-S32 WeakPolarHBondContact O-CB 3.43Å; D28-S32 PolarHBondContact O-N 3.49Å; D28-S32 PolarHBondContact O-OG 2.9Å |
| 29 | F | 56 | Low | 50.8 | Low | 134 Ų | 134 | 103.8 Ų | 103.8 | 59% | 0.588 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -71.2 | -44.7 | 174.4 | -179.4 | -96 | 0 | 0 | 0 | 110.2 | R26 P27 N31 S32 A33 | R26-F29 HydrophobicContact CB-CB 4.27Å; R26-F29 WeakPolarHBondContact O-CB 3.24Å; R26-F29 PolarHBondContact O-N 3.17Å; P27-F29 VanDerWaalsContact C-N 3.34Å; P27-F29 PolarHBondContact O-N 3.45Å; F29-N31 VanDerWaalsContact C-N 3.33Å; F29-N31 PolarHBondContact O-N 2.91Å; F29-S32 PolarHBondContact O-N 3.36Å; F29-A33 WeakPolarHBondContact O-CB 3.43Å; F29-A33 PolarHBondContact O-N 2.93Å |
| 30 | L | 51.3 | Low | 51.7 | Low | 91 Ų | 91 | 99 Ų | 99 | 48% | 0.476 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 174 | -71.8 | 174.2 | 0 | 0 | 0 | 111.3 | M25 R26 P27 F34 | M25-L30 HydrophobicContact CB-CD1 4.14Å; M25-L30 HydrophobicContact CB-CD2 4.42Å; M25-L30 HydrophobicContact CB-CG 4.09Å; M25-L30 HydrophobicContact SD-CD2 3.97Å; R26-L30 PolarHBondContact O-N 3.43Å; R26-L30 VanDerWaalsContact O-N 3.17Å; P27-L30 PolarHBondContact O-N 2.85Å; L30-F34 WeakPolarHBondContact O-CB 3.43Å; L30-F34 PolarHBondContact O-N 3.22Å |
| 31 | N | 56.4 | Low | 52.5 | Low | 89 Ų | 89 | 102.8 Ų | 102.8 | 48% | 0.476 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.7 | -37.4 | -178.8 | -155.7 | 39.1 | 0 | 0 | 0 | 111.8 | P27 F29 F34 E35 | P27-N31 VanDerWaalsContact O-CB 3.23Å; P27-N31 WeakPolarHBondContact O-CB 3.37Å; P27-N31 PolarHBondContact O-N 2.9Å; F29-N31 VanDerWaalsContact C-N 3.33Å; F29-N31 PolarHBondContact O-N 2.91Å; N31-F34 PolarHBondContact O-N 3.28Å; N31-E35 VanDerWaalsContact O-CB 3.26Å; N31-E35 WeakPolarHBondContact O-CB 3.32Å; N31-E35 WeakPolarHBondContact O-CG 3.3Å; N31-E35 PolarHBondContact O-N 2.95Å |
| 32 | S | 61.4 | Low | 53.3 | Low | 69 Ų | 69 | 101.4 Ų | 101.4 | 48% | 0.483 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.5 | -44.2 | 174.6 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | D28 F29 F34 E35 E36 | D28-S32 WeakPolarHBondContact O-CB 3.43Å; D28-S32 PolarHBondContact O-N 3.49Å; D28-S32 PolarHBondContact O-OG 2.9Å; F29-S32 PolarHBondContact O-N 3.36Å; S32-F34 PolarHBondContact O-N 2.9Å; S32-E35 PolarHBondContact O-N 2.9Å; S32-E36 WeakPolarHBondContact O-CB 3.47Å; S32-E36 PolarHBondContact O-N 3.49Å |
| 33 | A | 53.8 | Low | 53.8 | Low | 34 Ų | 34 | 99.9 Ų | 99.9 | 28% | 0.281 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.5 | -36.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | F29 S37 | F29-A33 WeakPolarHBondContact O-CB 3.43Å; F29-A33 PolarHBondContact O-N 2.93Å; A33-S37 WeakPolarHBondContact O-CB 3.27Å; A33-S37 PolarHBondContact O-N 2.89Å; A33-S37 PolarHBondContact O-OG 2.71Å |
| 34 | F | 56.2 | Low | 54.2 | Low | 90 Ų | 90 | 93.8 Ų | 93.8 | 40% | 0.395 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.6 | -45.8 | 174.6 | -169 | -89.3 | 0 | 0 | 0 | 111.7 | L30 N31 S32 S37 V38 | L30-F34 WeakPolarHBondContact O-CB 3.43Å; L30-F34 PolarHBondContact O-N 3.22Å; N31-F34 PolarHBondContact O-N 3.28Å; S32-F34 PolarHBondContact O-N 2.9Å; F34-S37 PolarHBondContact O-N 3.29Å; F34-V38 HydrophobicContact CB-CG2 4.47Å; F34-V38 HydrophobicContact CD1-CB 4.11Å; F34-V38 HydrophobicContact CD1-CG2 4.24Å; F34-V38 HydrophobicContact CD2-CB 4.22Å; F34-V38 HydrophobicContact CD2-CG2 3.49Å; F34-V38 VanDerWaalsContact CD2-CG2 3.49Å; F34-V38 HydrophobicContact CE1-CB 4.06Å; F34-V38 HydrophobicContact CE1-CG1 4.01Å; F34-V38 HydrophobicContact CE1-CG2 4.36Å; F34-V38 HydrophobicContact CE2-CB 4.18Å; F34-V38 HydrophobicContact CE2-CG1 4.11Å; F34-V38 HydrophobicContact CE2-CG2 3.65Å; F34-V38 HydrophobicContact CG-CB 4.18Å; F34-V38 HydrophobicContact CG-CG2 3.8Å; F34-V38 HydrophobicContact CZ-CB 4.1Å; F34-V38 HydrophobicContact CZ-CG1 3.77Å; F34-V38 HydrophobicContact CZ-CG2 4.09Å; F34-V38 WeakPolarHBondContact O-CA 3.23Å; F34-V38 WeakPolarHBondContact O-CB 3.43Å; F34-V38 WeakPolarHBondContact O-CG2 3.35Å; F34-V38 PolarHBondContact O-N 3.42Å |
| 35 | E | 60.5 | Low | 54.4 | Low | 92 Ų | 92 | 88.7 Ų | 88.7 | 43% | 0.43 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 178.3 | -88.2 | -86.2 | 131.2 | 0 | 0 | 112.6 | N31 S32 K39 | N31-E35 VanDerWaalsContact O-CB 3.26Å; N31-E35 WeakPolarHBondContact O-CB 3.32Å; N31-E35 WeakPolarHBondContact O-CG 3.3Å; N31-E35 PolarHBondContact O-N 2.95Å; S32-E35 PolarHBondContact O-N 2.9Å; E35-K39 WeakPolarHBondContact O-CB 3.48Å; E35-K39 WeakPolarHBondContact O-CG 3.26Å; E35-K39 VanDerWaalsContact OE1-CE 3.22Å; E35-K39 WeakPolarHBondContact OE1-CE 3.31Å; E35-K39 IonicContact OE1-NZ 2.74Å; E35-K39 PolarHBondContact OE1-NZ 3.48Å; E35-K39 WeakPolarHBondContact OE2-CE 3.26Å; E35-K39 IonicContact OE2-NZ 3.76Å; E35-K39 PolarHBondContact OE2-NZ 2.84Å |
| 36 | E | 61.5 | Low | 54.9 | Low | 162 Ų | 162 | 87.6 Ų | 87.6 | 76% | 0.757 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -73.3 | -34.8 | 178.4 | -75.8 | -165.4 | 146.5 | 0 | 0 | 112.7 | S32 P40 | S32-E36 WeakPolarHBondContact O-CB 3.47Å; S32-E36 PolarHBondContact O-N 3.49Å; E36-P40 VanDerWaalsContact O-CD 3.28Å; E36-P40 WeakPolarHBondContact O-CD 3.4Å; E36-P40 WeakPolarHBondContact O-CG 3.45Å |
| 37 | S | 51 | Low | 55.1 | Low | 51 Ų | 51 | 89.7 Ų | 89.7 | 36% | 0.357 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -98 | -32.4 | -172 | -47.2 | 0 | 0 | 0 | 0 | 114 | A33 F34 | A33-S37 WeakPolarHBondContact O-CB 3.27Å; A33-S37 PolarHBondContact O-N 2.89Å; A33-S37 PolarHBondContact O-OG 2.71Å; F34-S37 PolarHBondContact O-N 3.29Å |
| 38 | V | 55.3 | Low | 54.8 | Low | 31 Ų | 31 | 88.3 Ų | 88.3 | 19% | 0.188 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -91.4 | -28.2 | -174.8 | -176.1 | 0 | 0 | 0 | 0 | 112.3 | F34 W41 A42 | F34-V38 HydrophobicContact CB-CG2 4.47Å; F34-V38 HydrophobicContact CD1-CB 4.11Å; F34-V38 HydrophobicContact CD1-CG2 4.24Å; F34-V38 HydrophobicContact CD2-CB 4.22Å; F34-V38 HydrophobicContact CD2-CG2 3.49Å; F34-V38 VanDerWaalsContact CD2-CG2 3.49Å; F34-V38 HydrophobicContact CE1-CB 4.06Å; F34-V38 HydrophobicContact CE1-CG1 4.01Å; F34-V38 HydrophobicContact CE1-CG2 4.36Å; F34-V38 HydrophobicContact CE2-CB 4.18Å; F34-V38 HydrophobicContact CE2-CG1 4.11Å; F34-V38 HydrophobicContact CE2-CG2 3.65Å; F34-V38 HydrophobicContact CG-CB 4.18Å; F34-V38 HydrophobicContact CG-CG2 3.8Å; F34-V38 HydrophobicContact CZ-CB 4.1Å; F34-V38 HydrophobicContact CZ-CG1 3.77Å; F34-V38 HydrophobicContact CZ-CG2 4.09Å; F34-V38 WeakPolarHBondContact O-CA 3.23Å; F34-V38 WeakPolarHBondContact O-CB 3.43Å; F34-V38 WeakPolarHBondContact O-CG2 3.35Å; F34-V38 PolarHBondContact O-N 3.42Å; V38-W41 CarbonylContact O-C 3.59Å; V38-W41 PolarHBondContact O-N 3.49Å; V38-W41 VanDerWaalsContact O-N 3.12Å; V38-A42 WeakPolarHBondContact O-CB 3.22Å; V38-A42 PolarHBondContact O-N 2.83Å |
| 39 | K | 53.7 | Low | 54.5 | Low | 116 Ų | 116 | 84.7 Ų | 84.7 | 50% | 0.504 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -57.4 | -46.3 | 173.4 | -85.1 | 179.2 | 169.6 | 169.5 | 0 | 112.9 | E35 W41 T43 | E35-K39 WeakPolarHBondContact O-CB 3.48Å; E35-K39 WeakPolarHBondContact O-CG 3.26Å; E35-K39 VanDerWaalsContact OE1-CE 3.22Å; E35-K39 WeakPolarHBondContact OE1-CE 3.31Å; E35-K39 IonicContact OE1-NZ 2.74Å; E35-K39 PolarHBondContact OE1-NZ 3.48Å; E35-K39 WeakPolarHBondContact OE2-CE 3.26Å; E35-K39 IonicContact OE2-NZ 3.76Å; E35-K39 PolarHBondContact OE2-NZ 2.84Å; K39-W41 VanDerWaalsContact C-N 3.31Å; K39-W41 PolarHBondContact O-N 3.21Å; K39-T43 WeakPolarHBondContact O-CB 3.45Å; K39-T43 PolarHBondContact O-N 2.87Å; K39-T43 PolarHBondContact O-OG1 2.94Å |
| 40 | P | 58.9 | Low | 54.3 | Low | 83 Ų | 83 | 83.5 Ų | 83.5 | 54% | 0.539 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 173.7 | -22.3 | 32.8 | 0 | 0 | 0 | 112.5 | E36 T43 G44 | E36-P40 VanDerWaalsContact O-CD 3.28Å; E36-P40 WeakPolarHBondContact O-CD 3.4Å; E36-P40 WeakPolarHBondContact O-CG 3.45Å; P40-T43 PolarHBondContact O-N 2.74Å; P40-G44 PolarHBondContact O-N 3.07Å |
| 41 | W | 49.6 | Very low | 54.3 | Low | 163 Ų | 163 | 83.6 Ų | 83.6 | 62% | 0.617 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -67.4 | -45.8 | 179.9 | -156.6 | 78.4 | 0 | 0 | 0 | 112.3 | V38 K39 T43 G44 C45 | V38-W41 CarbonylContact O-C 3.59Å; V38-W41 PolarHBondContact O-N 3.49Å; V38-W41 VanDerWaalsContact O-N 3.12Å; K39-W41 VanDerWaalsContact C-N 3.31Å; K39-W41 PolarHBondContact O-N 3.21Å; W41-T43 VanDerWaalsContact C-N 3.33Å; W41-T43 PolarHBondContact O-N 2.8Å; W41-G44 PolarHBondContact O-N 3.41Å; W41-C45 WeakPolarHBondContact O-CB 3.45Å; W41-C45 PolarHBondContact O-N 2.65Å; W41-C45 PolarHBondContact O-SG 3.37Å |
| 42 | A | 53.7 | Low | 53.9 | Low | 47 Ų | 47 | 83.2 Ų | 83.2 | 39% | 0.388 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V38 G44 C45 S46 | V38-A42 WeakPolarHBondContact O-CB 3.22Å; V38-A42 PolarHBondContact O-N 2.83Å; A42-G44 VanDerWaalsContact C-N 3.33Å; A42-G44 PolarHBondContact O-N 3.01Å; A42-C45 PolarHBondContact O-N 3.49Å; A42-S46 WeakPolarHBondContact O-CB 3.45Å; A42-S46 PolarHBondContact O-N 3.36Å; A42-S46 PolarHBondContact O-OG 3.21Å |
| 43 | T | 57.6 | Low | 53.3 | Low | 82 Ų | 82 | 83.7 Ų | 83.7 | 50% | 0.503 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 176.4 | -47.7 | 0 | 0 | 0 | 0 | 111.7 | K39 P40 W41 R47 | K39-T43 WeakPolarHBondContact O-CB 3.45Å; K39-T43 PolarHBondContact O-N 2.87Å; K39-T43 PolarHBondContact O-OG1 2.94Å; P40-T43 PolarHBondContact O-N 2.74Å; W41-T43 VanDerWaalsContact C-N 3.33Å; W41-T43 PolarHBondContact O-N 2.8Å; T43-R47 WeakPolarHBondContact O-CG 3.38Å; T43-R47 PolarHBondContact O-N 2.71Å |
| 44 | G | 53.5 | Low | 53.1 | Low | 30 Ų | 30 | 90.3 Ų | 90.3 | 31% | 0.309 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.2 | -42.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P40 W41 A42 R47 L48 | P40-G44 PolarHBondContact O-N 3.07Å; W41-G44 PolarHBondContact O-N 3.41Å; A42-G44 VanDerWaalsContact C-N 3.33Å; A42-G44 PolarHBondContact O-N 3.01Å; G44-R47 PolarHBondContact O-N 3.29Å; G44-L48 PolarHBondContact O-N 3.35Å |
| 45 | C | 50.9 | Low | 52.5 | Low | 52 Ų | 52 | 87.9 Ų | 87.9 | 35% | 0.351 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.6 | -35.3 | 177.4 | -74.2 | 0 | 0 | 0 | 0 | 112.9 | W41 A42 R47 L48 G49 | W41-C45 WeakPolarHBondContact O-CB 3.45Å; W41-C45 PolarHBondContact O-N 2.65Å; W41-C45 PolarHBondContact O-SG 3.37Å; A42-C45 PolarHBondContact O-N 3.49Å; C45-R47 VanDerWaalsContact C-N 3.3Å; C45-R47 PolarHBondContact O-N 3.27Å; C45-L48 WeakPolarHBondContact O-CB 3.21Å; C45-L48 PolarHBondContact O-N 2.89Å; C45-L48 VanDerWaalsContact O-N 3.11Å; C45-G49 PolarHBondContact O-N 3.02Å |
| 46 | S | 54.6 | Low | 51.7 | Low | 76 Ų | 76 | 88.5 Ų | 88.5 | 53% | 0.531 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 172.9 | -64.3 | 0 | 0 | 0 | 0 | 111.4 | A42 L48 G49 D50 | A42-S46 WeakPolarHBondContact O-CB 3.45Å; A42-S46 PolarHBondContact O-N 3.36Å; A42-S46 PolarHBondContact O-OG 3.21Å; S46-L48 VanDerWaalsContact C-N 3.28Å; S46-L48 PolarHBondContact O-N 3.08Å; S46-G49 WeakPolarHBondContact O-CA 3.44Å; S46-G49 PolarHBondContact O-N 3.37Å; S46-D50 PolarHBondContact O-N 2.93Å |
| 47 | R | 53.7 | Low | 50.8 | Low | 181 Ų | 181 | 89.1 Ų | 89.1 | 68% | 0.683 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.7 | -32.3 | 174.1 | -70.4 | 179.8 | 172.7 | -161.3 | -1.7 | 112.7 | T43 G44 C45 V51 | T43-R47 WeakPolarHBondContact O-CG 3.38Å; T43-R47 PolarHBondContact O-N 2.71Å; G44-R47 PolarHBondContact O-N 3.29Å; C45-R47 VanDerWaalsContact C-N 3.3Å; C45-R47 PolarHBondContact O-N 3.27Å; R47-V51 WeakPolarHBondContact O-CG2 3.46Å; R47-V51 PolarHBondContact O-N 3.17Å |
| 48 | L | 45.1 | Very low | 50.4 | Low | 70 Ų | 70 | 91.3 Ų | 91.3 | 37% | 0.366 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.1 | -35.6 | 172.6 | -152.3 | 78.8 | 0 | 0 | 0 | 111.2 | G44 C45 S46 V51 I52 | G44-L48 PolarHBondContact O-N 3.35Å; C45-L48 WeakPolarHBondContact O-CB 3.21Å; C45-L48 PolarHBondContact O-N 2.89Å; C45-L48 VanDerWaalsContact O-N 3.11Å; S46-L48 VanDerWaalsContact C-N 3.28Å; S46-L48 PolarHBondContact O-N 3.08Å; L48-V51 PolarHBondContact O-N 3.27Å; L48-I52 HydrophobicContact CD2-CD1 4.41Å; L48-I52 HydrophobicContact CG-CD1 4.25Å; L48-I52 WeakPolarHBondContact O-CB 3.12Å; L48-I52 WeakPolarHBondContact O-CD1 3.17Å; L48-I52 WeakPolarHBondContact O-CG1 3.43Å; L48-I52 PolarHBondContact O-N 2.76Å |
| 49 | G | 50.6 | Low | 49.9 | Very low | 35 Ų | 35 | 92.6 Ų | 92.6 | 36% | 0.361 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | C45 S46 I52 A53 | C45-G49 PolarHBondContact O-N 3.02Å; S46-G49 WeakPolarHBondContact O-CA 3.44Å; S46-G49 PolarHBondContact O-N 3.37Å; G49-I52 PolarHBondContact O-N 3.47Å; G49-A53 WeakPolarHBondContact O-CB 2.8Å; G49-A53 PolarHBondContact O-N 3.15Å |
| 50 | D | 51.4 | Low | 49.5 | Very low | 109 Ų | 109 | 91.5 Ų | 91.5 | 58% | 0.583 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.5 | -39.8 | 176 | -66.4 | -27.1 | 0 | 0 | 0 | 111.7 | S46 I52 A53 E54 | S46-D50 PolarHBondContact O-N 2.93Å; D50-I52 VanDerWaalsContact C-N 3.31Å; D50-I52 PolarHBondContact O-N 3.09Å; D50-A53 PolarHBondContact O-N 2.91Å; D50-E54 PolarHBondContact O-N 2.86Å |
| 51 | V | 50.8 | Low | 49.1 | Very low | 94 Ų | 94 | 96 Ų | 96 | 57% | 0.57 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.1 | -31.3 | 175.4 | 175.6 | 0 | 0 | 0 | 0 | 112.2 | R47 L48 S55 | R47-V51 WeakPolarHBondContact O-CG2 3.46Å; R47-V51 PolarHBondContact O-N 3.17Å; L48-V51 PolarHBondContact O-N 3.27Å; V51-S55 PolarHBondContact O-OG 2.85Å |
| 52 | I | 48.7 | Very low | 49 | Very low | 81 Ų | 81 | 94 Ų | 94 | 42% | 0.415 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -79.5 | -32.4 | 176.7 | -66.6 | 163.8 | 0 | 0 | 0 | 111.3 | L48 G49 D50 E54 | L48-I52 HydrophobicContact CD2-CD1 4.41Å; L48-I52 HydrophobicContact CG-CD1 4.25Å; L48-I52 WeakPolarHBondContact O-CB 3.12Å; L48-I52 WeakPolarHBondContact O-CD1 3.17Å; L48-I52 WeakPolarHBondContact O-CG1 3.43Å; L48-I52 PolarHBondContact O-N 2.76Å; G49-I52 PolarHBondContact O-N 3.47Å; D50-I52 VanDerWaalsContact C-N 3.31Å; D50-I52 PolarHBondContact O-N 3.09Å; I52-E54 VanDerWaalsContact C-N 3.29Å; I52-E54 PolarHBondContact O-N 3.48Å |
| 53 | A | 48.8 | Very low | 48.8 | Very low | 78 Ų | 78 | 96.4 Ų | 96.4 | 65% | 0.645 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -69.4 | -27.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G49 D50 | G49-A53 WeakPolarHBondContact O-CB 2.8Å; G49-A53 PolarHBondContact O-N 3.15Å; D50-A53 PolarHBondContact O-N 2.91Å |
| 54 | E | 48.9 | Very low | 48.3 | Very low | 174 Ų | 174 | 96.6 Ų | 96.6 | 81% | 0.813 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -0.8 | -176.9 | -148.7 | 147.3 | -155.7 | 0 | 0 | 113.8 | D50 I52 | D50-E54 PolarHBondContact O-N 2.86Å; I52-E54 VanDerWaalsContact C-N 3.29Å; I52-E54 PolarHBondContact O-N 3.48Å |
| 55 | S | 43.7 | Very low | 48.4 | Very low | 39 Ų | 39 | 99.1 Ų | 99.1 | 27% | 0.273 | 55% | 0.552 | S | S | . | * | trans | -127.5 | 59 | -177.6 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | V51 H57 L59 | V51-S55 PolarHBondContact O-OG 2.85Å; S55-H57 PolarHBondContact O-N 2.83Å; S55-L59 VanDerWaalsContact OG-CD1 3.22Å; S55-L59 WeakPolarHBondContact OG-CD1 3.22Å | ||
| 56 | S | 44.2 | Very low | 48.5 | Very low | 104 Ų | 104 | 100.6 Ų | 100.6 | 73% | 0.727 | 56% | 0.556 | S | S | * | * | trans | -72.5 | 13.9 | -178.6 | 39.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 57 | H | 42.1 | Very low | 48.5 | Very low | 175 Ų | 175 | 98.2 Ų | 98.2 | 81% | 0.81 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -137.7 | 115 | 171.9 | -86.7 | -92.8 | 0 | 0 | 0 | 111.7 | S55 | S55-H57 PolarHBondContact O-N 2.83Š|
| 58 | A | 42 | Very low | 48.3 | Very low | 98 Ų | 98 | 92.3 Ų | 92.3 | 81% | 0.81 | 53% | 0.533 | S | S | * | . | trans | 67.2 | 41.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | T60 | A58-T60 PolarHBondContact O-N 3.49Š| ||
| 59 | L | 44.6 | Very low | 48.7 | Very low | 58 Ų | 58 | 94.4 Ų | 94.4 | 30% | 0.304 | 54% | 0.544 | S | S | . | . | trans | -66.6 | 105 | 167.6 | -123.2 | 79 | 0 | 0 | 0 | 110.8 | S55 K61 I63 I64 | S55-L59 VanDerWaalsContact OG-CD1 3.22Å; S55-L59 WeakPolarHBondContact OG-CD1 3.22Å; L59-K61 PolarHBondContact O-N 3.17Å; L59-I63 HydrophobicContact CD1-CD1 4.38Å; L59-I63 HydrophobicContact CD2-CB 4.17Å; L59-I63 HydrophobicContact CD2-CG2 3.95Å; L59-I63 HydrophobicContact CG-CB 4.17Å; L59-I63 HydrophobicContact CG-CD1 4.13Å; L59-I63 HydrophobicContact CG-CG2 4.24Å; L59-I64 HydrophobicContact CD2-CD1 4.39Å; L59-I64 HydrophobicContact CD2-CG1 3.87Å | ||
| 60 | T | 46.4 | Very low | 49 | Very low | 93 Ų | 93 | 97.8 Ų | 97.8 | 57% | 0.571 | 55% | 0.551 | S | S | * | * | trans | -61.3 | 131 | 173.3 | -55.8 | 0 | 0 | 0 | 0 | 107.6 | A58 H62 I63 | A58-T60 PolarHBondContact O-N 3.49Å; T60-H62 HydrophobicContact CG2-CB 4.16Å; T60-H62 PolarHBondContact O-N 3.33Å; T60-I63 PolarHBondContact O-N 3.45Å | ||
| 61 | K | 49.9 | Very low | 49 | Very low | 176 Ų | 176 | 95.4 Ų | 95.4 | 77% | 0.765 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -42.7 | -26 | 179.5 | -71.3 | -178.9 | 176.5 | -177.5 | 0 | 114.2 | L59 V65 | L59-K61 PolarHBondContact O-N 3.17Å; K61-V65 VanDerWaalsContact O-CG2 3.31Å; K61-V65 WeakPolarHBondContact O-CG2 3.43Å; K61-V65 PolarHBondContact O-N 3.14Å |
| 62 | H | 47 | Very low | 49.3 | Very low | 122 Ų | 122 | 92.4 Ų | 92.4 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -56.9 | -41.8 | 173 | -119 | -77.7 | 0 | 0 | 0 | 114.8 | T60 I64 V65 D66 | T60-H62 HydrophobicContact CG2-CB 4.16Å; T60-H62 PolarHBondContact O-N 3.33Å; H62-I64 PolarHBondContact O-N 2.98Å; H62-V65 PolarHBondContact O-N 3.37Å; H62-D66 IonicContact ND1-OD1 3.95Å; H62-D66 IonicContact ND1-OD2 3.13Å; H62-D66 PolarHBondContact ND1-OD2 3.45Å; H62-D66 VanDerWaalsContact ND1-OD2 3.13Å; H62-D66 VanDerWaalsContact O-CB 3.31Å; H62-D66 WeakPolarHBondContact O-CB 3.48Å; H62-D66 VanDerWaalsContact O-CG 3.3Å; H62-D66 PolarHBondContact O-N 3.12Å |
| 63 | I | 51.1 | Low | 49.8 | Very low | 97 Ų | 97 | 94.4 Ų | 94.4 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.8 | -37.2 | -174.3 | -62.7 | 172.3 | 0 | 0 | 0 | 111.2 | L59 T60 G67 | L59-I63 HydrophobicContact CD1-CD1 4.38Å; L59-I63 HydrophobicContact CD2-CB 4.17Å; L59-I63 HydrophobicContact CD2-CG2 3.95Å; L59-I63 HydrophobicContact CG-CB 4.17Å; L59-I63 HydrophobicContact CG-CD1 4.13Å; L59-I63 HydrophobicContact CG-CG2 4.24Å; T60-I63 PolarHBondContact O-N 3.45Å; I63-G67 PolarHBondContact O-N 2.99Å |
| 64 | I | 46.7 | Very low | 50 | Low | 86 Ų | 86 | 99.8 Ų | 99.8 | 44% | 0.441 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.5 | -41.7 | 176.8 | -58.5 | 178.2 | 0 | 0 | 0 | 110.3 | L59 H62 A68 | L59-I64 HydrophobicContact CD2-CD1 4.39Å; L59-I64 HydrophobicContact CD2-CG1 3.87Å; H62-I64 PolarHBondContact O-N 2.98Å; I64-A68 WeakPolarHBondContact O-CB 3.28Å; I64-A68 PolarHBondContact O-N 2.69Å |
| 65 | V | 56 | Low | 50.3 | Low | 83 Ų | 83 | 94 Ų | 94 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.1 | -44.7 | 178.5 | 174.1 | 0 | 0 | 0 | 0 | 111 | K61 H62 A68 L69 | K61-V65 VanDerWaalsContact O-CG2 3.31Å; K61-V65 WeakPolarHBondContact O-CG2 3.43Å; K61-V65 PolarHBondContact O-N 3.14Å; H62-V65 PolarHBondContact O-N 3.37Å; V65-A68 PolarHBondContact O-N 2.59Å; V65-L69 HydrophobicContact CG1-CD1 4.38Å; V65-L69 WeakPolarHBondContact O-CB 3.35Å; V65-L69 PolarHBondContact O-N 3.37Å |
| 66 | D | 52 | Low | 50.9 | Low | 84 Ų | 84 | 97.1 Ų | 97.1 | 45% | 0.449 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 177.7 | -73 | -28.2 | 0 | 0 | 0 | 111 | H62 L69 E70 | H62-D66 IonicContact ND1-OD1 3.95Å; H62-D66 IonicContact ND1-OD2 3.13Å; H62-D66 PolarHBondContact ND1-OD2 3.45Å; H62-D66 VanDerWaalsContact ND1-OD2 3.13Å; H62-D66 VanDerWaalsContact O-CB 3.31Å; H62-D66 WeakPolarHBondContact O-CB 3.48Å; H62-D66 VanDerWaalsContact O-CG 3.3Å; H62-D66 PolarHBondContact O-N 3.12Å; D66-L69 PolarHBondContact O-N 3.33Å; D66-E70 WeakPolarHBondContact O-CB 3.39Å; D66-E70 PolarHBondContact O-N 3.37Å |
| 67 | G | 54.1 | Low | 51.5 | Low | 25 Ų | 25 | 98.2 Ų | 98.2 | 26% | 0.258 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | I63 C71 | I63-G67 PolarHBondContact O-N 2.99Å; G67-C71 VanDerWaalsContact O-CB 3.31Å; G67-C71 WeakPolarHBondContact O-CB 3.26Å; G67-C71 PolarHBondContact O-N 2.8Å |
| 68 | A | 49.3 | Very low | 52.2 | Low | 57 Ų | 57 | 93.1 Ų | 93.1 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.1 | -38.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I64 V65 G72 | I64-A68 WeakPolarHBondContact O-CB 3.28Å; I64-A68 PolarHBondContact O-N 2.69Å; V65-A68 PolarHBondContact O-N 2.59Å; A68-G72 PolarHBondContact O-N 3.46Å |
| 69 | L | 55.2 | Low | 52.7 | Low | 115 Ų | 115 | 91.3 Ų | 91.3 | 60% | 0.602 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.6 | -44 | 177 | -128.1 | 100.4 | 0 | 0 | 0 | 111.7 | V65 D66 C71 G72 K73 | V65-L69 HydrophobicContact CG1-CD1 4.38Å; V65-L69 WeakPolarHBondContact O-CB 3.35Å; V65-L69 PolarHBondContact O-N 3.37Å; D66-L69 PolarHBondContact O-N 3.33Å; L69-C71 VanDerWaalsContact C-N 3.33Å; L69-G72 PolarHBondContact O-N 3.07Å; L69-K73 WeakPolarHBondContact O-CB 3.03Å; L69-K73 PolarHBondContact O-N 2.73Å |
| 70 | E | 55.7 | Low | 53.2 | Low | 105 Ų | 105 | 91.6 Ų | 91.6 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.4 | -36.6 | 179.8 | -158.6 | 72.6 | -163.3 | 0 | 0 | 111.1 | D66 K73 R74 | D66-E70 WeakPolarHBondContact O-CB 3.39Å; D66-E70 PolarHBondContact O-N 3.37Å; E70-K73 PolarHBondContact O-N 2.87Å; E70-R74 PolarHBondContact O-N 3.02Å; E70-R74 VanDerWaalsContact O-N 3.1Å |
| 71 | C | 51.8 | Low | 53.8 | Low | 59 Ų | 59 | 94.9 Ų | 94.9 | 40% | 0.399 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.2 | -44.4 | 173.9 | -154.7 | 0 | 0 | 0 | 0 | 111.1 | G67 L69 K73 R74 C75 | G67-C71 VanDerWaalsContact O-CB 3.31Å; G67-C71 WeakPolarHBondContact O-CB 3.26Å; G67-C71 PolarHBondContact O-N 2.8Å; L69-C71 VanDerWaalsContact C-N 3.33Å; C71-K73 VanDerWaalsContact C-N 3.32Å; C71-K73 PolarHBondContact O-N 3.27Å; C71-R74 PolarHBondContact O-N 3.37Å; C71-C75 PolarHBondContact O-N 2.81Å |
| 72 | G | 56.9 | Low | 54 | Low | 32 Ų | 32 | 93.1 Ų | 93.1 | 33% | 0.33 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A68 L69 C75 I76 | A68-G72 PolarHBondContact O-N 3.46Å; L69-G72 PolarHBondContact O-N 3.07Å; G72-C75 PolarHBondContact O-N 2.78Å; G72-I76 VanDerWaalsContact O-CG1 3.27Å; G72-I76 WeakPolarHBondContact O-CG1 3.23Å; G72-I76 PolarHBondContact O-N 2.97Å |
| 73 | K | 58.9 | Low | 54.5 | Low | 123 Ų | 123 | 92.4 Ų | 92.4 | 54% | 0.535 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 177.4 | -167.3 | 177.8 | 179.1 | -174.8 | 0 | 112.3 | L69 E70 C71 C75 I76 D77 | L69-K73 WeakPolarHBondContact O-CB 3.03Å; L69-K73 PolarHBondContact O-N 2.73Å; E70-K73 PolarHBondContact O-N 2.87Å; C71-K73 VanDerWaalsContact C-N 3.32Å; C71-K73 PolarHBondContact O-N 3.27Å; K73-C75 VanDerWaalsContact C-N 3.31Å; K73-C75 PolarHBondContact O-N 3.29Å; K73-I76 PolarHBondContact O-N 2.94Å; K73-D77 PolarHBondContact O-N 3.35Å |
| 74 | R | 53.5 | Low | 54.7 | Low | 191 Ų | 191 | 89 Ų | 89 | 72% | 0.721 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.6 | -32 | 175 | -72.9 | -174.8 | -175.1 | -172.4 | 2.2 | 113.2 | E70 C71 | E70-R74 PolarHBondContact O-N 3.02Å; E70-R74 VanDerWaalsContact O-N 3.1Å; C71-R74 PolarHBondContact O-N 3.37Å |
| 75 | C | 54.5 | Low | 55.4 | Low | 53 Ų | 53 | 90 Ų | 90 | 36% | 0.358 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.4 | -44 | 172 | -77.9 | 0 | 0 | 0 | 0 | 111.5 | C71 G72 K73 D77 G78 L79 | C71-C75 PolarHBondContact O-N 2.81Å; G72-C75 PolarHBondContact O-N 2.78Å; K73-C75 VanDerWaalsContact C-N 3.31Å; K73-C75 PolarHBondContact O-N 3.29Å; C75-D77 VanDerWaalsContact C-N 3.31Å; C75-D77 PolarHBondContact O-N 3.17Å; C75-G78 PolarHBondContact O-N 3.29Å; C75-G78 VanDerWaalsContact O-N 3.14Å; C75-L79 HydrophobicContact CB-CD1 4.43Å; C75-L79 WeakPolarHBondContact O-CD1 3.04Å; C75-L79 PolarHBondContact O-N 3.1Å |
| 76 | I | 56.2 | Low | 55.8 | Low | 103 Ų | 103 | 91 Ų | 91 | 53% | 0.528 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -36.8 | 179.4 | -69 | 164.6 | 0 | 0 | 0 | 111.7 | G72 K73 G78 | G72-I76 VanDerWaalsContact O-CG1 3.27Å; G72-I76 WeakPolarHBondContact O-CG1 3.23Å; G72-I76 PolarHBondContact O-N 2.97Å; K73-I76 PolarHBondContact O-N 2.94Å; I76-G78 PolarHBondContact O-N 2.91Å |
| 77 | D | 57.4 | Low | 56.3 | Low | 128 Ų | 128 | 91.8 Ų | 91.8 | 68% | 0.684 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -14 | 178.6 | -70.8 | -24.4 | 0 | 0 | 0 | 113.5 | K73 C75 | K73-D77 PolarHBondContact O-N 3.35Å; C75-D77 VanDerWaalsContact C-N 3.31Å; C75-D77 PolarHBondContact O-N 3.17Å |
| 78 | G | 56.8 | Low | 56.9 | Low | 67 Ų | 67 | 96 Ų | 96 | 69% | 0.691 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | -13.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | C75 I76 | C75-G78 PolarHBondContact O-N 3.29Å; C75-G78 VanDerWaalsContact O-N 3.14Å; I76-G78 PolarHBondContact O-N 2.91Å |
| 79 | L | 51.7 | Low | 57.4 | Low | 61 Ų | 61 | 97 Ų | 97 | 32% | 0.319 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -101 | 141.5 | -177.5 | -85.2 | 99 | 0 | 0 | 0 | 112 | C75 E83 | C75-L79 HydrophobicContact CB-CD1 4.43Å; C75-L79 WeakPolarHBondContact O-CD1 3.04Å; C75-L79 PolarHBondContact O-N 3.1Å; L79-E83 HydrophobicContact CD2-CB 3.69Å; L79-E83 WeakPolarHBondContact CD2-OE2 3.37Å |
| 80 | A | 55.9 | Low | 58 | Low | 64 Ų | 64 | 94 Ų | 94 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | trans | -58.4 | 143.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | D82 E83 | A80-D82 PolarHBondContact O-N 2.96Å; A80-E83 PolarHBondContact O-N 2.86Å | ||
| 81 | K | 58.6 | Low | 58.5 | Low | 162 Ų | 162 | 90.9 Ų | 90.9 | 70% | 0.704 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -50.4 | -30.7 | -172.1 | -72.5 | -178.1 | 176.5 | -177.4 | 0 | 113.9 | ||
| 82 | D | 54.5 | Low | 59 | Low | 139 Ų | 139 | 91.1 Ų | 91.1 | 74% | 0.743 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -77.3 | -27.4 | -176.8 | -58.1 | -32.2 | 0 | 0 | 0 | 113.2 | A80 | A80-D82 PolarHBondContact O-N 2.96Å |
| 83 | E | 57.4 | Low | 59 | Low | 106 Ų | 106 | 95.4 Ų | 95.4 | 50% | 0.495 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -80.1 | -27.7 | 179.6 | -62.3 | -166.3 | 167 | 0 | 0 | 111.8 | L79 A80 I85 F86 W87 | L79-E83 HydrophobicContact CD2-CB 3.69Å; L79-E83 WeakPolarHBondContact CD2-OE2 3.37Å; A80-E83 PolarHBondContact O-N 2.86Å; E83-I85 VanDerWaalsContact C-N 3.32Å; E83-I85 PolarHBondContact O-N 3.29Å; E83-F86 PolarHBondContact O-N 3.42Å; E83-W87 PolarHBondContact O-N 3.22Å; E83-W87 VanDerWaalsContact O-N 3.17Å |
| 84 | C | 56.1 | Low | 59.1 | Low | 27 Ų | 27 | 92.7 Ų | 92.7 | 18% | 0.182 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -61.5 | -36.5 | 178.2 | -72.1 | 0 | 0 | 0 | 0 | 113 | L88 | C84-L88 WeakPolarHBondContact O-CB 3.45Å; C84-L88 VanDerWaalsContact O-CG 3.3Å; C84-L88 WeakPolarHBondContact O-CG 3.48Å; C84-L88 PolarHBondContact O-N 2.85Å |
| 85 | I | 60.6 | Low | 59.2 | Low | 105 Ų | 105 | 88 Ų | 88 | 54% | 0.538 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69 | -40.7 | 179.8 | -64.1 | 173.2 | 0 | 0 | 0 | 110.7 | E83 L88 S89 | E83-I85 VanDerWaalsContact C-N 3.32Å; E83-I85 PolarHBondContact O-N 3.29Å; I85-L88 PolarHBondContact O-N 2.66Å; I85-S89 WeakPolarHBondContact O-CB 3.08Å; I85-S89 PolarHBondContact O-N 3.44Å |
| 86 | F | 64.8 | Low | 59.2 | Low | 105 Ų | 105 | 91.1 Ų | 91.1 | 46% | 0.461 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 176.9 | -178.6 | -99.7 | 0 | 0 | 0 | 111.2 | E83 S89 V90 | E83-F86 PolarHBondContact O-N 3.42Å; F86-S89 WeakPolarHBondContact O-CB 3.33Å; F86-S89 PolarHBondContact O-N 3.12Å; F86-V90 HydrophobicContact CD1-CG2 4.11Å; F86-V90 HydrophobicContact CE1-CG2 3.71Å; F86-V90 HydrophobicContact CE2-CG2 4.22Å; F86-V90 HydrophobicContact CZ-CG2 3.77Å; F86-V90 WeakPolarHBondContact O-CG2 3.35Å; F86-V90 PolarHBondContact O-N 3.28Å |
| 87 | W | 63 | Low | 58.9 | Low | 100 Ų | 100 | 91.7 Ų | 91.7 | 38% | 0.379 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.1 | -31 | -179.1 | -69.8 | 112.4 | 0 | 0 | 0 | 113.8 | E83 S89 V90 G91 | E83-W87 PolarHBondContact O-N 3.22Å; E83-W87 VanDerWaalsContact O-N 3.17Å; W87-S89 VanDerWaalsContact C-N 3.32Å; W87-V90 HydrophobicContact CE3-CB 4.48Å; W87-G91 PolarHBondContact O-N 2.77Å |
| 88 | L | 65.6 | Low | 58.6 | Low | 114 Ų | 114 | 90.3 Ų | 90.3 | 60% | 0.597 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.9 | -38 | 169.1 | -75.2 | 172.2 | 0 | 0 | 0 | 111.3 | C84 I85 S92 | C84-L88 WeakPolarHBondContact O-CB 3.45Å; C84-L88 VanDerWaalsContact O-CG 3.3Å; C84-L88 WeakPolarHBondContact O-CG 3.48Å; C84-L88 PolarHBondContact O-N 2.85Å; I85-L88 PolarHBondContact O-N 2.66Å; L88-S92 WeakPolarHBondContact O-CB 3.4Å; L88-S92 PolarHBondContact O-N 3.25Å |
| 89 | S | 60.9 | Low | 58 | Low | 78 Ų | 78 | 90.6 Ų | 90.6 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.9 | -49.4 | 174.8 | 177.4 | 0 | 0 | 0 | 0 | 111.9 | I85 F86 W87 S92 F93 | I85-S89 WeakPolarHBondContact O-CB 3.08Å; I85-S89 PolarHBondContact O-N 3.44Å; F86-S89 WeakPolarHBondContact O-CB 3.33Å; F86-S89 PolarHBondContact O-N 3.12Å; W87-S89 VanDerWaalsContact C-N 3.32Å; S89-S92 PolarHBondContact O-N 3.43Å; S89-F93 VanDerWaalsContact O-CB 3.27Å; S89-F93 WeakPolarHBondContact O-CB 3.45Å; S89-F93 PolarHBondContact O-N 3.03Å |
| 90 | V | 67.4 | Low | 57.7 | Low | 51 Ų | 51 | 91.4 Ų | 91.4 | 31% | 0.309 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 178.8 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | F86 W87 F93 V94 | F86-V90 HydrophobicContact CD1-CG2 4.11Å; F86-V90 HydrophobicContact CE1-CG2 3.71Å; F86-V90 HydrophobicContact CE2-CG2 4.22Å; F86-V90 HydrophobicContact CZ-CG2 3.77Å; F86-V90 WeakPolarHBondContact O-CG2 3.35Å; F86-V90 PolarHBondContact O-N 3.28Å; W87-V90 HydrophobicContact CE3-CB 4.48Å; V90-F93 PolarHBondContact O-N 3.38Å; V90-V94 HydrophobicContact CG1-CG2 4.5Å; V90-V94 VanDerWaalsContact O-CG2 3.3Å; V90-V94 WeakPolarHBondContact O-CG2 3.42Å; V90-V94 PolarHBondContact O-N 2.75Å |
| 91 | G | 65 | Low | 57.5 | Low | 40 Ų | 40 | 97.5 Ų | 97.5 | 41% | 0.412 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.9 | -42 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | W87 V94 S95 | W87-G91 PolarHBondContact O-N 2.77Å; G91-V94 PolarHBondContact O-N 3.49Å; G91-S95 VanDerWaalsContact O-CB 3.31Å; G91-S95 WeakPolarHBondContact O-CB 3.17Å; G91-S95 PolarHBondContact O-N 3.06Å |
| 92 | S | 62.8 | Low | 56.8 | Low | 64 Ų | 64 | 98.4 Ų | 98.4 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67 | -38.6 | 175.1 | -159.3 | 0 | 0 | 0 | 0 | 111.3 | L88 S89 S95 I96 | L88-S92 WeakPolarHBondContact O-CB 3.4Å; L88-S92 PolarHBondContact O-N 3.25Å; S89-S92 PolarHBondContact O-N 3.43Å; S92-S95 PolarHBondContact O-N 3.27Å; S92-I96 WeakPolarHBondContact O-CB 3.43Å; S92-I96 WeakPolarHBondContact O-CD1 3.3Å; S92-I96 WeakPolarHBondContact O-CG1 3.08Å; S92-I96 PolarHBondContact O-N 2.91Å |
| 93 | F | 58.4 | Low | 56.5 | Low | 122 Ų | 122 | 99.9 Ų | 99.9 | 54% | 0.535 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.4 | -49.8 | 174.1 | -163.4 | -91.4 | 0 | 0 | 0 | 111.3 | S89 V90 S95 I96 F97 | S89-F93 VanDerWaalsContact O-CB 3.27Å; S89-F93 WeakPolarHBondContact O-CB 3.45Å; S89-F93 PolarHBondContact O-N 3.03Å; V90-F93 PolarHBondContact O-N 3.38Å; F93-S95 VanDerWaalsContact C-N 3.27Å; F93-S95 PolarHBondContact O-N 3.14Å; F93-I96 PolarHBondContact O-N 3.25Å; F93-F97 AromaticContact CD1-CD2 3.77Å; F93-F97 HydrophobicContact CD1-CD2 3.77Å; F93-F97 HydrophobicContact CD1-CE2 4.26Å; F93-F97 AromaticContact CD2-CD2 3.88Å; F93-F97 HydrophobicContact CD2-CD2 3.88Å; F93-F97 AromaticContact CD2-CE2 3.57Å; F93-F97 HydrophobicContact CD2-CE2 3.57Å; F93-F97 AromaticContact CE1-CD2 3.71Å; F93-F97 HydrophobicContact CE1-CD2 3.71Å; F93-F97 HydrophobicContact CE1-CE2 4Å; F93-F97 HydrophobicContact CE1-CG 4.43Å; F93-F97 AromaticContact CE2-CD2 3.82Å; F93-F97 HydrophobicContact CE2-CD2 3.82Å; F93-F97 AromaticContact CE2-CE2 3.28Å; F93-F97 HydrophobicContact CE2-CE2 3.28Å; F93-F97 HydrophobicContact CE2-CZ 4.1Å; F93-F97 AromaticContact CG-CD2 3.85Å; F93-F97 HydrophobicContact CG-CD2 3.85Å; F93-F97 HydrophobicContact CG-CE2 4.06Å; F93-F97 AromaticContact CZ-CD2 3.73Å; F93-F97 HydrophobicContact CZ-CD2 3.73Å; F93-F97 AromaticContact CZ-CE2 3.51Å; F93-F97 HydrophobicContact CZ-CE2 3.51Å; F93-F97 HydrophobicContact CZ-CZ 4.19Å; F93-F97 WeakPolarHBondContact O-CB 3.33Å; F93-F97 VanDerWaalsContact O-CD2 3.22Å; F93-F97 WeakPolarHBondContact O-CD2 3.38Å; F93-F97 PolarHBondContact O-N 3Å |
| 94 | V | 60.7 | Low | 56 | Low | 67 Ų | 67 | 99.3 Ų | 99.3 | 41% | 0.406 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.3 | -34.9 | 178 | 175.3 | 0 | 0 | 0 | 0 | 111.8 | V90 G91 I104 | V90-V94 HydrophobicContact CG1-CG2 4.5Å; V90-V94 VanDerWaalsContact O-CG2 3.3Å; V90-V94 WeakPolarHBondContact O-CG2 3.42Å; V90-V94 PolarHBondContact O-N 2.75Å; G91-V94 PolarHBondContact O-N 3.49Å; V94-I104 HydrophobicContact CG1-CD1 4.42Å |
| 95 | S | 55.4 | Low | 55.2 | Low | 93 Ų | 93 | 100.8 Ų | 100.8 | 65% | 0.65 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -75.5 | -37 | 178.9 | -156.4 | 0 | 0 | 0 | 0 | 113.3 | G91 S92 F93 | G91-S95 VanDerWaalsContact O-CB 3.31Å; G91-S95 WeakPolarHBondContact O-CB 3.17Å; G91-S95 PolarHBondContact O-N 3.06Å; S92-S95 PolarHBondContact O-N 3.27Å; F93-S95 VanDerWaalsContact C-N 3.27Å; F93-S95 PolarHBondContact O-N 3.14Å |
| 96 | I | 54 | Low | 54.2 | Low | 118 Ų | 118 | 101.2 Ų | 101.2 | 61% | 0.605 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.8 | -42 | 176.8 | -71.6 | 165.7 | 0 | 0 | 0 | 110.4 | S92 F93 S98 | S92-I96 WeakPolarHBondContact O-CB 3.43Å; S92-I96 WeakPolarHBondContact O-CD1 3.3Å; S92-I96 WeakPolarHBondContact O-CG1 3.08Å; S92-I96 PolarHBondContact O-N 2.91Å; F93-I96 PolarHBondContact O-N 3.25Å; I96-S98 VanDerWaalsContact C-N 3.29Å; I96-S98 PolarHBondContact O-N 3.17Å |
| 97 | F | 50.1 | Low | 53.1 | Low | 114 Ų | 114 | 102 Ų | 102 | 50% | 0.5 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.3 | -1.1 | -173 | -77.1 | -76.7 | 0 | 0 | 0 | 114.9 | F93 L99 | F93-F97 AromaticContact CD1-CD2 3.77Å; F93-F97 HydrophobicContact CD1-CD2 3.77Å; F93-F97 HydrophobicContact CD1-CE2 4.26Å; F93-F97 AromaticContact CD2-CD2 3.88Å; F93-F97 HydrophobicContact CD2-CD2 3.88Å; F93-F97 AromaticContact CD2-CE2 3.57Å; F93-F97 HydrophobicContact CD2-CE2 3.57Å; F93-F97 AromaticContact CE1-CD2 3.71Å; F93-F97 HydrophobicContact CE1-CD2 3.71Å; F93-F97 HydrophobicContact CE1-CE2 4Å; F93-F97 HydrophobicContact CE1-CG 4.43Å; F93-F97 AromaticContact CE2-CD2 3.82Å; F93-F97 HydrophobicContact CE2-CD2 3.82Å; F93-F97 AromaticContact CE2-CE2 3.28Å; F93-F97 HydrophobicContact CE2-CE2 3.28Å; F93-F97 HydrophobicContact CE2-CZ 4.1Å; F93-F97 AromaticContact CG-CD2 3.85Å; F93-F97 HydrophobicContact CG-CD2 3.85Å; F93-F97 HydrophobicContact CG-CE2 4.06Å; F93-F97 AromaticContact CZ-CD2 3.73Å; F93-F97 HydrophobicContact CZ-CD2 3.73Å; F93-F97 AromaticContact CZ-CE2 3.51Å; F93-F97 HydrophobicContact CZ-CE2 3.51Å; F93-F97 HydrophobicContact CZ-CZ 4.19Å; F93-F97 WeakPolarHBondContact O-CB 3.33Å; F93-F97 VanDerWaalsContact O-CD2 3.22Å; F93-F97 WeakPolarHBondContact O-CD2 3.38Å; F93-F97 PolarHBondContact O-N 3Å; F97-L99 HydrophobicContact CB-CG 4.27Å; F97-L99 PolarHBondContact O-N 3.03Å |
| 98 | S | 50.9 | Low | 51.6 | Low | 100 Ų | 100 | 100 Ų | 100 | 70% | 0.699 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 36.4 | 44.7 | 173.5 | -79.5 | 0 | 0 | 0 | 0 | 112.4 | I96 P100 | I96-S98 VanDerWaalsContact C-N 3.29Å; I96-S98 PolarHBondContact O-N 3.17Å; S98-P100 VanDerWaalsContact O-N 3.12Å |
| 99 | L | 43.6 | Very low | 50.3 | Low | 72 Ų | 72 | 99.9 Ų | 99.9 | 38% | 0.377 | 56% | 0.56 | S | S | . | * | trans | -60.6 | 124.4 | -174.5 | -76.9 | 165.3 | 0 | 0 | 0 | 106.5 | F97 K101 W103 | F97-L99 HydrophobicContact CB-CG 4.27Å; F97-L99 PolarHBondContact O-N 3.03Å; L99-K101 PolarHBondContact O-N 3.48Å; L99-W103 HydrophobicContact CD2-CE3 4.5Å | ||
| 100 | P | 45.8 | Very low | 49.1 | Very low | 79 Ų | 79 | 101.5 Ų | 101.5 | 51% | 0.513 | 57% | 0.569 | S | S | . | * | trans | -54.3 | 133.7 | -177.2 | 20.1 | -30.6 | 0 | 0 | 0 | 108 | S98 K102 W103 | S98-P100 VanDerWaalsContact O-N 3.12Å; P100-K102 PolarHBondContact O-N 2.88Å; P100-W103 PolarHBondContact O-N 3.46Å | ||
| 101 | K | 51.3 | Low | 47.5 | Very low | 192 Ų | 192 | 102.5 Ų | 102.5 | 84% | 0.835 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -45 | -19.2 | -175.4 | -66.1 | -179.6 | 177.1 | 179.3 | 0 | 115.2 | L99 | L99-K101 PolarHBondContact O-N 3.48Å |
| 102 | K | 44.2 | Very low | 46 | Very low | 180 Ų | 180 | 107.8 Ų | 107.8 | 78% | 0.783 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.8 | -26.1 | 174.1 | -63.7 | -172.4 | 175 | -173.1 | 0 | 114.6 | P100 | P100-K102 PolarHBondContact O-N 2.88Å |
| 103 | W | 48.4 | Very low | 44.8 | Very low | 170 Ų | 170 | 114 Ų | 114 | 64% | 0.644 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -83.5 | -31.5 | 179.6 | -82.1 | 48.7 | 0 | 0 | 0 | 112.5 | L99 P100 A105 C106 | L99-W103 HydrophobicContact CD2-CE3 4.5Å; P100-W103 PolarHBondContact O-N 3.46Å; W103-A105 VanDerWaalsContact C-N 3.26Å; W103-A105 PolarHBondContact O-N 2.87Å; W103-C106 WeakPolarHBondContact O-CB 3.49Å; W103-C106 PolarHBondContact O-N 3.48Å; W103-C106 VanDerWaalsContact O-N 3.13Å |
| 104 | I | 47.3 | Very low | 43.6 | Very low | 94 Ų | 94 | 113.2 Ų | 113.2 | 48% | 0.482 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68.2 | -28.9 | 174.4 | -65.4 | 170.7 | 0 | 0 | 0 | 111.1 | V94 C106 L107 | V94-I104 HydrophobicContact CG1-CD1 4.42Å; I104-C106 PolarHBondContact O-N 3.12Å; I104-L107 PolarHBondContact O-N 3.3Å |
| 105 | A | 39.8 | Very low | 42.6 | Very low | 58 Ų | 58 | 117.7 Ų | 117.7 | 48% | 0.479 | 65% | 0.653 | S | S | . | * | G | 310 helix | trans | -71.6 | -15.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114 | W103 L107 | W103-A105 VanDerWaalsContact C-N 3.26Å; W103-A105 PolarHBondContact O-N 2.87Å; A105-L107 VanDerWaalsContact C-N 3.35Å |
| 106 | C | 39.1 | Very low | 41.8 | Very low | 114 Ų | 114 | 120.7 Ų | 120.7 | 77% | 0.77 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -86.6 | -6.7 | -179.8 | -142.8 | 0 | 0 | 0 | 0 | 112.9 | W103 I104 C108 | W103-C106 WeakPolarHBondContact O-CB 3.49Å; W103-C106 PolarHBondContact O-N 3.48Å; W103-C106 VanDerWaalsContact O-N 3.13Å; I104-C106 PolarHBondContact O-N 3.12Å; C106-C108 VanDerWaalsContact C-N 3.34Å |
| 107 | L | 41.7 | Very low | 40.8 | Very low | 123 Ų | 123 | 118.3 Ų | 118.3 | 64% | 0.644 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -93.3 | 6.7 | 174.7 | -74 | 161.8 | 0 | 0 | 0 | 112.6 | I104 A105 P109 | I104-L107 PolarHBondContact O-N 3.3Å; A105-L107 VanDerWaalsContact C-N 3.35Å; L107-P109 WeakPolarHBondContact O-CD 3.44Å |
| 108 | C | 31 | Very low | 40.4 | Very low | 58 Ų | 58 | 121 Ų | 121 | 39% | 0.392 | 69% | 0.687 | S | S | . | * | trans | -96.8 | 115 | 176.3 | -168.2 | 0 | 0 | 0 | 0 | 109.3 | C106 C110 | C106-C108 VanDerWaalsContact C-N 3.34Å; C108-C110 PolarHBondContact O-N 3.41Å | ||
| 109 | P | 38.6 | Very low | 39.7 | Very low | 111 Ų | 111 | 121.4 Ų | 121.4 | 72% | 0.721 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 2 | 177.7 | -21.5 | 33.5 | 0 | 0 | 0 | 115.1 | L107 | L107-P109 WeakPolarHBondContact O-CD 3.44Š|
| 110 | C | 35.2 | Very low | 39.7 | Very low | 111 Ų | 111 | 125.3 Ų | 125.3 | 75% | 0.75 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | -1 | -169.3 | -45.3 | 0 | 0 | 0 | 0 | 114.1 | C108 | C108-C110 PolarHBondContact O-N 3.41Š|
| 111 | C | 33.6 | Very low | 39.3 | Very low | 73 Ų | 73 | 130.3 Ų | 130.3 | 49% | 0.493 | 73% | 0.727 | S | S | . | * | trans | -109.1 | 58.6 | -167.8 | -51.3 | 0 | 0 | 0 | 0 | 112.9 | F113 | C111-F113 PolarHBondContact O-N 2.94Š| ||
| 112 | N | 34.5 | Very low | 38.9 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 81% | 0.807 | 73% | 0.731 | S | S | * | * | trans | -86 | 91.3 | 171 | -134.7 | -2.5 | 0 | 0 | 0 | 109 | A114 | N112-A114 PolarHBondContact O-N 2.68Š| ||
| 113 | F | 37 | Very low | 39 | Very low | 195 Ų | 195 | 129.3 Ų | 129.3 | 86% | 0.855 | 73% | 0.73 | S | S | * | * | trans | -72.3 | 105.9 | 165.2 | -91.4 | -90.2 | 0 | 0 | 0 | 107.6 | C111 D115 | C111-F113 PolarHBondContact O-N 2.94Å; F113-D115 PolarHBondContact O-N 2.94Å | ||
| 114 | A | 33.1 | Very low | 38.5 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | trans | -61.8 | 114 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | N112 | N112-A114 PolarHBondContact O-N 2.68Š| ||
| 115 | D | 39.7 | Very low | 38.1 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | trans | -127 | 142.3 | 161.3 | -162.6 | 20.5 | 0 | 0 | 0 | 108.8 | F113 | F113-D115 PolarHBondContact O-N 2.94Š| ||
| 116 | D | 38.4 | Very low | 38.1 | Very low | 157 Ų | 157 | 138.1 Ų | 138.1 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | trans | -81.6 | 140.9 | -152.7 | -163.3 | 24.5 | 0 | 0 | 0 | 112.7 | ||||
| 117 | G | 34.3 | Very low | 37.8 | Very low | 68 Ų | 68 | 140.4 Ų | 140.4 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | 62.4 | 94.9 | 154.1 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 118 | D | 40 | Very low | 37.4 | Very low | 171 Ų | 171 | 137.7 Ų | 137.7 | 91% | 0.914 | 77% | 0.772 | S | S | * | * | -167.5 | 124.5 | 112.3 | -133.1 | -13.5 | 0 | 0 | 0 | 109.8 | |||||
| 119 | S | 36.4 | Very low | 37.8 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -95.9 | 115.2 | -175.6 | 46.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 120 | D | 43.4 | Very low | 37.5 | Very low | 155 Ų | 155 | 146 Ų | 146 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -154.7 | 98.8 | 158.3 | -103.1 | -18.5 | 0 | 0 | 0 | 113.2 | ||||
| 121 | E | 37.4 | Very low | 37.6 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | 29.1 | 78.7 | 136.4 | -47.1 | -162.9 | 143.8 | 0 | 0 | 122.5 | ||||
| 122 | R | 43.1 | Very low | 37.5 | Very low | 242 Ų | 242 | 146.7 Ų | 146.7 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 178.3 | 125.7 | 130.7 | -109.2 | 170.3 | 152.9 | 154.6 | -6.6 | 111.3 | ||
| 123 | S | 46.6 | Very low | 37.3 | Very low | 109 Ų | 109 | 144.1 Ų | 144.1 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | 92.3 | 68.6 | 178.6 | -41.9 | 0 | 0 | 0 | 0 | 115.6 | L125 | S123-L125 VanDerWaalsContact C-N 3.31Å; S123-L125 PolarHBondContact O-N 3.24Å | ||
| 124 | K | 38.7 | Very low | 37.1 | Very low | 208 Ų | 208 | 140.9 Ų | 140.9 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | trans | -64.9 | 92.9 | 149.2 | -78.6 | -177.8 | 174.1 | -175.5 | 0 | 108.4 | ||||
| 125 | L | 39 | Very low | 37.1 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -114 | 56.6 | 161.9 | -79.5 | 178.1 | 0 | 0 | 0 | 109.3 | S123 | S123-L125 VanDerWaalsContact C-N 3.31Å; S123-L125 PolarHBondContact O-N 3.24Å | ||
| 126 | L | 38.5 | Very low | 36.7 | Very low | 141 Ų | 141 | 138.4 Ų | 138.4 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | -148.1 | 158.6 | 167 | -75.1 | 176.3 | 0 | 0 | 0 | 109.1 | ||||
| 127 | E | 33.8 | Very low | 36.3 | Very low | 162 Ų | 162 | 138.9 Ų | 138.9 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | trans | 91.1 | 73.5 | 173.6 | -123 | 71.4 | -134.4 | 0 | 0 | 116.6 | ||||
| 128 | G | 34 | Very low | 36 | Very low | 67 Ų | 67 | 140.1 Ų | 140.1 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | -139.8 | 49.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | H130 | G128-H130 PolarHBondContact O-N 3.21Š| ||
| 129 | Q | 38.1 | Very low | 35.6 | Very low | 146 Ų | 146 | 136.8 Ų | 136.8 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | trans | -57 | 118.2 | 177 | -160.1 | 173.6 | -90.3 | 0 | 0 | 109.8 | S131 | Q129-S131 WeakPolarHBondContact CG-OG 3.45Å; Q129-S131 PolarHBondContact NE2-OG 3.48Å; Q129-S131 PolarHBondContact O-N 3.43Å | ||
| 130 | H | 32.9 | Very low | 35.1 | Very low | 196 Ų | 196 | 139 Ų | 139 | 91% | 0.907 | 77% | 0.773 | S | S | * | * | trans | -65.4 | 85.5 | 162.4 | -64.4 | -102.5 | 0 | 0 | 0 | 108.1 | G128 | G128-H130 PolarHBondContact O-N 3.21Š| ||
| 131 | S | 37 | Very low | 34.7 | Very low | 79 Ų | 79 | 135.5 Ų | 135.5 | 55% | 0.552 | 77% | 0.765 | S | S | * | * | trans | -100.3 | 81.3 | 168.2 | -56.2 | 0 | 0 | 0 | 0 | 108.7 | Q129 | Q129-S131 WeakPolarHBondContact CG-OG 3.45Å; Q129-S131 PolarHBondContact NE2-OG 3.48Å; Q129-S131 PolarHBondContact O-N 3.43Å | ||
| 132 | S | 31.1 | Very low | 34.3 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | trans | -65.8 | 130.5 | 148.7 | 176.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 133 | S | 31.9 | Very low | 34.1 | Very low | 98 Ų | 98 | 128.2 Ų | 128.2 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 94 | 92.2 | 165.3 | -140 | 0 | 0 | 0 | 0 | 117.2 | ||
| 134 | T | 32.1 | Very low | 33.6 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | 81.3 | 103.9 | 124.3 | -43.9 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 135 | A | 32.9 | Very low | 33.6 | Very low | 82 Ų | 82 | 130.4 Ų | 130.4 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | 104.2 | 128.1 | 137.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 136 | T | 32 | Very low | 33.3 | Very low | 132 Ų | 132 | 127.8 Ų | 127.8 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | trans | 80.5 | 91.3 | 146.4 | 12.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 137 | H | 30.1 | Very low | 33.3 | Very low | 167 Ų | 167 | 127.8 Ų | 127.8 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | 81.1 | 110.4 | 86.7 | -156.6 | -76.3 | 0 | 0 | 0 | 113 | |||||
| 138 | C | 27.7 | Very low | 33.5 | Very low | 93 Ų | 93 | 129.4 Ų | 129.4 | 63% | 0.628 | 76% | 0.761 | S | S | * | * | 136 | 105.2 | 122.2 | -137.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 139 | C | 30 | Very low | 33.8 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | 94.1 | 95.1 | 95.6 | -56.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 140 | T | 27.9 | Very low | 33.8 | Very low | 154 Ų | 154 | 130.7 Ų | 130.7 | 95% | 0.945 | 77% | 0.765 | S | S | * | * | trans | -95.3 | 107 | 151.7 | 35.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 141 | A | 34 | Very low | 34 | Very low | 81 Ų | 81 | 129.2 Ų | 129.2 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | trans | -105.5 | 128.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 142 | D | 29.6 | Very low | 34 | Very low | 151 Ų | 151 | 132.4 Ų | 132.4 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | trans | 52 | 122.2 | 146.8 | -62.8 | -45.7 | 0 | 0 | 0 | 120 | ||||
| 143 | V | 37.5 | Very low | 34.5 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 74% | 0.739 | 77% | 0.768 | S | S | * | * | -171.7 | 106.7 | 99.3 | 168.4 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 144 | Q | 37.8 | Very low | 34.7 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | 44.6 | 121.6 | 134 | -53 | 175.8 | -2.4 | 0 | 0 | 119.7 | ||||
| 145 | Q | 36.9 | Very low | 35.4 | Very low | 188 Ų | 188 | 136.4 Ų | 136.4 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | -175.8 | 103.6 | 105.1 | -163.7 | 148 | 7.2 | 0 | 0 | 113.5 | |||||
| 146 | S | 33.1 | Very low | 36.3 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | 56.7 | 100.7 | 131.8 | -176.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 147 | V | 38.6 | Very low | 37.2 | Very low | 141 Ų | 141 | 138.3 Ų | 138.3 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | -142.8 | 113.4 | 124.8 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 148 | K | 37.6 | Very low | 38.2 | Very low | 197 Ų | 197 | 135.8 Ų | 135.8 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | trans | -75.5 | 121 | 169.7 | -80.1 | 173.3 | 171.7 | 176.8 | 0 | 110 | ||||
| 149 | V | 40.9 | Very low | 39.6 | Very low | 128 Ų | 128 | 135 Ų | 135 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | -142.9 | 95 | 143.8 | -177 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 150 | T | 37.6 | Very low | 41.4 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | trans | 26.7 | 104.8 | 138.1 | -37.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 151 | Q | 38.4 | Very low | 43.9 | Very low | 165 Ų | 165 | 132.7 Ų | 132.7 | 77% | 0.771 | 73% | 0.73 | S | S | * | * | 39.6 | 116.4 | 123.2 | -56.8 | 172 | -20.5 | 0 | 0 | 118.1 | |||||
| 152 | N | 36.4 | Very low | 46.5 | Very low | 146 Ų | 146 | 135.5 Ų | 135.5 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | -178.7 | 120.5 | 113.6 | -86.2 | -20.6 | 0 | 0 | 0 | 113.9 | |||||
| 153 | M | 42.4 | Very low | 49.4 | Very low | 162 Ų | 162 | 134.4 Ų | 134.4 | 80% | 0.798 | 72% | 0.719 | S | S | * | * | trans | 63.8 | 93 | 136 | -53.6 | -159.9 | 86.7 | 0 | 0 | 120.8 | ||||
| 154 | D | 35.9 | Very low | 51.9 | Low | 159 Ų | 159 | 133.4 Ų | 133.4 | 85% | 0.85 | 71% | 0.706 | S | S | * | * | 38.3 | 93.9 | 109 | -149.7 | 12.3 | 0 | 0 | 0 | 117.2 | |||||
| 155 | S | 47.2 | Very low | 54.4 | Low | 107 Ų | 107 | 131.5 Ų | 131.5 | 75% | 0.748 | 70% | 0.696 | S | S | * | * | trans | 170.1 | 1.3 | 149.5 | 43 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 156 | T | 50 | Low | 57.1 | Low | 82 Ų | 82 | 126.9 Ų | 126.9 | 50% | 0.503 | 68% | 0.676 | S | S | . | * | trans | -106.9 | 11.5 | -169.3 | 50.2 | 0 | 0 | 0 | 0 | 116.5 | T158 T159 | T156-T158 VanDerWaalsContact C-N 3.27Å; T156-T158 PolarHBondContact O-N 3.27Å; T156-T158 VanDerWaalsContact O-N 3.16Å; T156-T159 PolarHBondContact O-N 3Å; T156-T159 PolarHBondContact O-OG1 3.25Å | ||
| 157 | Q | 51.3 | Low | 59.9 | Low | 171 Ų | 171 | 126 Ų | 126 | 80% | 0.799 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -15.2 | -168.8 | -124.2 | 174.8 | 6.6 | 0 | 0 | 115.5 | ||
| 158 | T | 51.7 | Low | 62.4 | Low | 114 Ų | 114 | 124.8 Ų | 124.8 | 70% | 0.699 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -21.1 | 176.4 | 51.7 | 0 | 0 | 0 | 0 | 113.7 | T156 | T156-T158 VanDerWaalsContact C-N 3.27Å; T156-T158 PolarHBondContact O-N 3.27Å; T156-T158 VanDerWaalsContact O-N 3.16Å |
| 159 | T | 57.4 | Low | 65 | Low | 76 Ų | 76 | 117.9 Ų | 117.9 | 47% | 0.466 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -84.9 | -24 | 179.9 | 51.9 | 0 | 0 | 0 | 0 | 112.6 | T156 Q163 | T156-T159 PolarHBondContact O-N 3Å; T156-T159 PolarHBondContact O-OG1 3.25Å; T159-Q163 WeakPolarHBondContact O-CB 3.41Å; T159-Q163 PolarHBondContact O-N 3.36Å |
| 160 | D | 68 | Low | 67.5 | Low | 97 Ų | 97 | 117.5 Ų | 117.5 | 52% | 0.519 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69.5 | -36.3 | 179.2 | -74.8 | -18.9 | 0 | 0 | 0 | 111.9 | Q163 E164 | D160-Q163 PolarHBondContact O-N 2.99Å; D160-E164 WeakPolarHBondContact O-CB 3.26Å; D160-E164 PolarHBondContact O-N 2.93Å |
| 161 | D | 79.4 | Confident | 70.1 | Confident | 111 Ų | 111 | 117.9 Ų | 117.9 | 59% | 0.594 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.6 | -42 | 178.3 | -71.7 | -16.7 | 0 | 0 | 0 | 112.3 | Q163 E164 F165 | D161-Q163 VanDerWaalsContact C-N 3.32Å; D161-E164 PolarHBondContact O-N 3.42Å; D161-F165 WeakPolarHBondContact O-CB 3.42Å; D161-F165 PolarHBondContact O-N 3.25Å |
| 162 | E | 89 | Confident | 72.7 | Confident | 139 Ų | 139 | 115.2 Ų | 115.2 | 65% | 0.65 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.6 | -39.5 | 175.3 | -68.9 | -170.3 | 156.2 | 0 | 0 | 111 | F165 L166 | E162-F165 PolarHBondContact O-N 2.96Å; E162-L166 WeakPolarHBondContact O-CB 3.28Å; E162-L166 VanDerWaalsContact O-CG 3.24Å; E162-L166 WeakPolarHBondContact O-CG 3.48Å; E162-L166 PolarHBondContact O-N 3.23Å |
| 163 | Q | 89.6 | Confident | 75.4 | Confident | 129 Ų | 129 | 111.7 Ų | 111.7 | 60% | 0.603 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -70.4 | -36.9 | 177.9 | -166.3 | 71.6 | -15.7 | 0 | 0 | 112.3 | T159 D160 D161 L166 N167 | T159-Q163 WeakPolarHBondContact O-CB 3.41Å; T159-Q163 PolarHBondContact O-N 3.36Å; D160-Q163 PolarHBondContact O-N 2.99Å; D161-Q163 VanDerWaalsContact C-N 3.32Å; Q163-L166 PolarHBondContact O-N 2.91Å; Q163-N167 WeakPolarHBondContact O-CB 3.44Å; Q163-N167 PolarHBondContact O-N 3.19Å |
| 164 | E | 90.3 | Very high | 77.7 | Confident | 101 Ų | 101 | 107.6 Ų | 107.6 | 47% | 0.472 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.2 | -42.5 | 173.3 | -167.7 | -170.7 | 141.8 | 0 | 0 | 111.3 | D160 D161 N167 K168 | D160-E164 WeakPolarHBondContact O-CB 3.26Å; D160-E164 PolarHBondContact O-N 2.93Å; D161-E164 PolarHBondContact O-N 3.42Å; E164-N167 PolarHBondContact O-N 3.45Å; E164-K168 WeakPolarHBondContact O-CG 3.35Å; E164-K168 PolarHBondContact O-N 3.42Å; E164-K168 VanDerWaalsContact OE1-CE 3.26Å; E164-K168 WeakPolarHBondContact OE1-CE 3.27Å; E164-K168 IonicContact OE1-NZ 2.65Å; E164-K168 PolarHBondContact OE1-NZ 3.43Å |
| 165 | F | 91.3 | Very high | 80.2 | Confident | 135 Ų | 135 | 104.5 Ų | 104.5 | 59% | 0.592 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61 | -46.4 | 174.4 | 177.1 | -101 | 0 | 0 | 0 | 111.6 | D161 E162 N167 K168 V169 | D161-F165 WeakPolarHBondContact O-CB 3.42Å; D161-F165 PolarHBondContact O-N 3.25Å; E162-F165 PolarHBondContact O-N 2.96Å; F165-N167 VanDerWaalsContact C-N 3.31Å; F165-N167 PolarHBondContact O-N 2.92Å; F165-K168 WeakPolarHBondContact O-CB 3.36Å; F165-K168 PolarHBondContact O-N 3.3Å; F165-V169 HydrophobicContact CD1-CG2 4.24Å; F165-V169 HydrophobicContact CE1-CG2 3.81Å; F165-V169 HydrophobicContact CE2-CG2 4.14Å; F165-V169 HydrophobicContact CZ-CG2 3.75Å; F165-V169 WeakPolarHBondContact O-CG2 3.43Å; F165-V169 PolarHBondContact O-N 3.48Å |
| 166 | L | 92.3 | Very high | 82.3 | Confident | 90 Ų | 90 | 103.7 Ų | 103.7 | 47% | 0.471 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.9 | -40 | 175.5 | -73.6 | 168.8 | 0 | 0 | 0 | 111.8 | E162 Q163 V169 L170 | E162-L166 WeakPolarHBondContact O-CB 3.28Å; E162-L166 VanDerWaalsContact O-CG 3.24Å; E162-L166 WeakPolarHBondContact O-CG 3.48Å; E162-L166 PolarHBondContact O-N 3.23Å; Q163-L166 PolarHBondContact O-N 2.91Å; L166-V169 PolarHBondContact O-N 2.85Å; L166-L170 WeakPolarHBondContact O-CB 3.27Å; L166-L170 VanDerWaalsContact O-CG 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.3Å; L166-L170 PolarHBondContact O-N 3.27Å |
| 167 | N | 92.2 | Very high | 84.2 | Confident | 84 Ų | 84 | 104.4 Ų | 104.4 | 45% | 0.449 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.7 | -42.5 | 175.7 | -166.3 | -3.5 | 0 | 0 | 0 | 111.7 | Q163 E164 F165 V169 L170 Q171 | Q163-N167 WeakPolarHBondContact O-CB 3.44Å; Q163-N167 PolarHBondContact O-N 3.19Å; E164-N167 PolarHBondContact O-N 3.45Å; F165-N167 VanDerWaalsContact C-N 3.31Å; F165-N167 PolarHBondContact O-N 2.92Å; N167-V169 PolarHBondContact O-N 3.33Å; N167-L170 PolarHBondContact O-N 3.45Å; N167-Q171 WeakPolarHBondContact O-CB 3.41Å; N167-Q171 VanDerWaalsContact O-CG 3.32Å; N167-Q171 WeakPolarHBondContact O-CG 3.43Å; N167-Q171 PolarHBondContact O-N 2.82Å; N167-Q171 PolarHBondContact OD1-NE2 3.44Å |
| 168 | K | 92.3 | Very high | 85.9 | Confident | 115 Ų | 115 | 100.9 Ų | 100.9 | 50% | 0.5 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 173.1 | -77.3 | 167.7 | 168.8 | 161.6 | 0 | 111.8 | E164 F165 L170 Q171 Q172 | E164-K168 WeakPolarHBondContact O-CG 3.35Å; E164-K168 PolarHBondContact O-N 3.42Å; E164-K168 VanDerWaalsContact OE1-CE 3.26Å; E164-K168 WeakPolarHBondContact OE1-CE 3.27Å; E164-K168 IonicContact OE1-NZ 2.65Å; E164-K168 PolarHBondContact OE1-NZ 3.43Å; F165-K168 WeakPolarHBondContact O-CB 3.36Å; F165-K168 PolarHBondContact O-N 3.3Å; K168-L170 PolarHBondContact O-N 3.1Å; K168-Q171 PolarHBondContact O-N 3.33Å; K168-Q172 VanDerWaalsContact O-CB 3.31Å; K168-Q172 WeakPolarHBondContact O-CB 3.1Å; K168-Q172 PolarHBondContact O-N 3.47Å |
| 169 | V | 90.4 | Very high | 87.5 | Confident | 53 Ų | 53 | 99.8 Ų | 99.8 | 32% | 0.321 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 177.2 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | F165 L166 N167 Q172 T173 | F165-V169 HydrophobicContact CD1-CG2 4.24Å; F165-V169 HydrophobicContact CE1-CG2 3.81Å; F165-V169 HydrophobicContact CE2-CG2 4.14Å; F165-V169 HydrophobicContact CZ-CG2 3.75Å; F165-V169 WeakPolarHBondContact O-CG2 3.43Å; F165-V169 PolarHBondContact O-N 3.48Å; L166-V169 PolarHBondContact O-N 2.85Å; N167-V169 PolarHBondContact O-N 3.33Å; V169-Q172 PolarHBondContact O-N 2.91Å; V169-T173 VanDerWaalsContact O-CB 3.27Å; V169-T173 WeakPolarHBondContact O-CB 3.41Å; V169-T173 PolarHBondContact O-N 2.94Å; V169-T173 PolarHBondContact O-OG1 3.24Å |
| 170 | L | 94.2 | Very high | 88.8 | Confident | 119 Ų | 119 | 101.2 Ų | 101.2 | 62% | 0.623 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.3 | -42.6 | 177.4 | -73.6 | 172.7 | 0 | 0 | 0 | 112.2 | L166 N167 K168 T173 A174 | L166-L170 WeakPolarHBondContact O-CB 3.27Å; L166-L170 VanDerWaalsContact O-CG 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.3Å; L166-L170 PolarHBondContact O-N 3.27Å; N167-L170 PolarHBondContact O-N 3.45Å; K168-L170 PolarHBondContact O-N 3.1Å; L170-T173 PolarHBondContact O-N 3.15Å; L170-A174 VanDerWaalsContact O-CB 3.23Å; L170-A174 WeakPolarHBondContact O-CB 3.37Å; L170-A174 PolarHBondContact O-N 3.43Å |
| 171 | Q | 92.8 | Very high | 89.4 | Confident | 121 Ų | 121 | 100.1 Ų | 100.1 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65 | -44.3 | 175.9 | -71.8 | 176.1 | 19.2 | 0 | 0 | 111.9 | N167 K168 A174 S175 | N167-Q171 WeakPolarHBondContact O-CB 3.41Å; N167-Q171 VanDerWaalsContact O-CG 3.32Å; N167-Q171 WeakPolarHBondContact O-CG 3.43Å; N167-Q171 PolarHBondContact O-N 2.82Å; N167-Q171 PolarHBondContact OD1-NE2 3.44Å; K168-Q171 PolarHBondContact O-N 3.33Å; Q171-A174 PolarHBondContact O-N 2.92Å; Q171-S175 PolarHBondContact O-N 3.39Å |
| 172 | Q | 92.6 | Very high | 89.3 | Confident | 109 Ų | 109 | 97 Ų | 97 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.5 | -48.5 | 175.8 | -177.6 | 175.2 | -3.8 | 0 | 0 | 110.8 | K168 V169 A174 S175 E176 | K168-Q172 VanDerWaalsContact O-CB 3.31Å; K168-Q172 WeakPolarHBondContact O-CB 3.1Å; K168-Q172 PolarHBondContact O-N 3.47Å; V169-Q172 PolarHBondContact O-N 2.91Å; Q172-A174 VanDerWaalsContact C-N 3.34Å; Q172-A174 PolarHBondContact O-N 2.82Å; Q172-S175 PolarHBondContact O-N 3.34Å; Q172-S175 VanDerWaalsContact O-N 3.07Å; Q172-S175 PolarHBondContact O-OG 2.84Å; Q172-E176 HydrophobicContact CG-CG 4.42Å; Q172-E176 VanDerWaalsContact CG-OE1 3.26Å; Q172-E176 WeakPolarHBondContact CG-OE1 3.12Å; Q172-E176 PolarHBondContact NE2-OE1 2.98Å; Q172-E176 WeakPolarHBondContact O-CG 3.46Å; Q172-E176 PolarHBondContact O-N 2.9Å |
| 173 | T | 92.8 | Very high | 88.4 | Confident | 71 Ų | 71 | 96.5 Ų | 96.5 | 44% | 0.436 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 177.1 | -54.3 | 0 | 0 | 0 | 0 | 111 | V169 L170 S175 E176 V177 | V169-T173 VanDerWaalsContact O-CB 3.27Å; V169-T173 WeakPolarHBondContact O-CB 3.41Å; V169-T173 PolarHBondContact O-N 2.94Å; V169-T173 PolarHBondContact O-OG1 3.24Å; L170-T173 PolarHBondContact O-N 3.15Å; T173-S175 PolarHBondContact O-N 2.89Å; T173-E176 PolarHBondContact O-N 2.95Å; T173-V177 HydrophobicContact CG2-CG2 3.94Å; T173-V177 WeakPolarHBondContact O-CB 3.5Å; T173-V177 WeakPolarHBondContact O-CG2 3.49Å; T173-V177 PolarHBondContact O-N 2.97Å |
| 174 | A | 91.1 | Very high | 87.4 | Confident | 76 Ų | 76 | 98.2 Ų | 98.2 | 63% | 0.628 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.6 | -30.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L170 Q171 Q172 | L170-A174 VanDerWaalsContact O-CB 3.23Å; L170-A174 WeakPolarHBondContact O-CB 3.37Å; L170-A174 PolarHBondContact O-N 3.43Å; Q171-A174 PolarHBondContact O-N 2.92Å; Q172-A174 VanDerWaalsContact C-N 3.34Å; Q172-A174 PolarHBondContact O-N 2.82Å |
| 175 | S | 88.7 | Confident | 86 | Confident | 94 Ų | 94 | 97.7 Ų | 97.7 | 66% | 0.657 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -80.2 | -30.4 | 175.5 | 73.3 | 0 | 0 | 0 | 0 | 114 | Q171 Q172 T173 | Q171-S175 PolarHBondContact O-N 3.39Å; Q172-S175 PolarHBondContact O-N 3.34Å; Q172-S175 VanDerWaalsContact O-N 3.07Å; Q172-S175 PolarHBondContact O-OG 2.84Å; T173-S175 PolarHBondContact O-N 2.89Å |
| 176 | E | 90.7 | Very high | 84.7 | Confident | 90 Ų | 90 | 99.3 Ų | 99.3 | 42% | 0.421 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -87.6 | -24.3 | -178.2 | -70.4 | -172.7 | -154 | 0 | 0 | 113.6 | R26 Q172 T173 I178 | R26-E176 IonicContact CZ-OE2 4Å; R26-E176 IonicContact NH1-OE2 2.59Å; R26-E176 VanDerWaalsContact NH2-CD 3.33Å; R26-E176 IonicContact NH2-OE2 3.33Å; R26-E176 PolarHBondContact NH2-OE2 3.31Å; Q172-E176 HydrophobicContact CG-CG 4.42Å; Q172-E176 VanDerWaalsContact CG-OE1 3.26Å; Q172-E176 WeakPolarHBondContact CG-OE1 3.12Å; Q172-E176 PolarHBondContact NE2-OE1 2.98Å; Q172-E176 WeakPolarHBondContact O-CG 3.46Å; Q172-E176 PolarHBondContact O-N 2.9Å; T173-E176 PolarHBondContact O-N 2.95Å; E176-I178 PolarHBondContact O-N 3.46Å |
| 177 | V | 90.2 | Very high | 83.6 | Confident | 97 Ų | 97 | 100.6 Ų | 100.6 | 59% | 0.588 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -70 | 123.3 | 176.1 | 169.8 | 0 | 0 | 0 | 0 | 109.8 | T173 D179 | T173-V177 HydrophobicContact CG2-CG2 3.94Å; T173-V177 WeakPolarHBondContact O-CB 3.5Å; T173-V177 WeakPolarHBondContact O-CG2 3.49Å; T173-V177 PolarHBondContact O-N 2.97Å; V177-D179 PolarHBondContact O-N 3.18Å |
| 178 | I | 86 | Confident | 82.9 | Confident | 97 Ų | 97 | 99.9 Ų | 99.9 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | trans | -76.3 | 110.3 | 175 | -68.9 | 168.5 | 0 | 0 | 0 | 108.9 | E176 V180 | E176-I178 PolarHBondContact O-N 3.46Å; I178-V180 HydrophobicContact CG2-CG2 4.39Å; I178-V180 PolarHBondContact O-N 2.71Å | ||
| 179 | D | 85.9 | Confident | 82.6 | Confident | 91 Ų | 91 | 100.4 Ų | 100.4 | 49% | 0.487 | 57% | 0.566 | S | S | . | * | trans | -68.9 | 108.3 | 164.9 | -174.3 | -1.1 | 0 | 0 | 0 | 109.5 | V177 A181 A182 | V177-D179 PolarHBondContact O-N 3.18Å; D179-A181 VanDerWaalsContact C-N 3.31Å; D179-A181 WeakPolarHBondContact OD1-CB 3.34Å; D179-A181 PolarHBondContact OD1-N 2.86Å; D179-A182 HydrophobicContact CB-CB 3.9Å; D179-A182 PolarHBondContact OD1-N 3.45Å | ||
| 180 | V | 84.1 | Confident | 82.3 | Confident | 107 Ų | 107 | 102.5 Ų | 102.5 | 65% | 0.648 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -73.1 | -26.9 | 178.2 | -178.7 | 0 | 0 | 0 | 0 | 111 | I178 L183 | I178-V180 HydrophobicContact CG2-CG2 4.39Å; I178-V180 PolarHBondContact O-N 2.71Å; V180-L183 HydrophobicContact CG1-CD1 4.3Å; V180-L183 WeakPolarHBondContact O-CB 3.41Å; V180-L183 WeakPolarHBondContact O-CG 3.49Å; V180-L183 PolarHBondContact O-N 3.47Å |
| 181 | A | 82.4 | Confident | 82.2 | Confident | 73 Ų | 73 | 105.5 Ų | 105.5 | 60% | 0.603 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -75.8 | -28 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D179 L183 E184 | D179-A181 VanDerWaalsContact C-N 3.31Å; D179-A181 WeakPolarHBondContact OD1-CB 3.34Å; D179-A181 PolarHBondContact OD1-N 2.86Å; A181-L183 PolarHBondContact O-N 2.9Å; A181-L183 VanDerWaalsContact O-N 3.09Å; A181-E184 PolarHBondContact O-N 3.15Å; A181-E184 VanDerWaalsContact O-N 3.15Å |
| 182 | A | 77 | Confident | 82.1 | Confident | 45 Ų | 45 | 104.2 Ų | 104.2 | 37% | 0.372 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -68.4 | -1.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D179 E184 | D179-A182 HydrophobicContact CB-CB 3.9Å; D179-A182 PolarHBondContact OD1-N 3.45Å; A182-E184 VanDerWaalsContact C-N 3.29Å |
| 183 | L | 69 | Low | 82 | Confident | 129 Ų | 129 | 106.2 Ų | 106.2 | 68% | 0.675 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -73.9 | -22.5 | 170 | -65.4 | 173.6 | 0 | 0 | 0 | 112.2 | V180 A181 S185 | V180-L183 HydrophobicContact CG1-CD1 4.3Å; V180-L183 WeakPolarHBondContact O-CB 3.41Å; V180-L183 WeakPolarHBondContact O-CG 3.49Å; V180-L183 PolarHBondContact O-N 3.47Å; A181-L183 PolarHBondContact O-N 2.9Å; A181-L183 VanDerWaalsContact O-N 3.09Å; L183-S185 PolarHBondContact O-N 3.39Å |
| 184 | E | 69.7 | Low | 82 | Confident | 166 Ų | 166 | 105.8 Ų | 105.8 | 78% | 0.776 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -69.7 | 127.1 | 165.8 | -165.8 | 164.9 | -159.8 | 0 | 0 | 107.3 | A181 A182 Q186 | A181-E184 PolarHBondContact O-N 3.15Å; A181-E184 VanDerWaalsContact O-N 3.15Å; A182-E184 VanDerWaalsContact C-N 3.29Å; E184-Q186 PolarHBondContact O-N 3Å |
| 185 | S | 61.3 | Low | 82.1 | Confident | 90 Ų | 90 | 106.3 Ų | 106.3 | 63% | 0.629 | 57% | 0.569 | S | S | * | * | trans | -48 | 118.1 | -171.5 | 45.6 | 0 | 0 | 0 | 0 | 109.7 | L183 T187 | L183-S185 PolarHBondContact O-N 3.39Å; S185-T187 PolarHBondContact O-N 3.22Å | ||
| 186 | Q | 63.1 | Low | 82.2 | Confident | 169 Ų | 169 | 106.6 Ų | 106.6 | 79% | 0.79 | 56% | 0.555 | S | S | * | * | trans | -58.6 | 94.3 | 164.1 | -83.1 | -175.1 | 0.8 | 0 | 0 | 106.7 | E184 L188 | E184-Q186 PolarHBondContact O-N 3Å; Q186-L188 PolarHBondContact O-N 3.41Å | ||
| 187 | T | 69.2 | Low | 82.3 | Confident | 116 Ų | 116 | 103.9 Ų | 103.9 | 71% | 0.712 | 55% | 0.548 | S | S | * | . | trans | -72 | 91.3 | 172.6 | 50.4 | 0 | 0 | 0 | 0 | 105.5 | S185 E189 | S185-T187 PolarHBondContact O-N 3.22Å; T187-E189 PolarHBondContact O-N 3.39Å | ||
| 188 | L | 77.7 | Confident | 82.5 | Confident | 69 Ų | 69 | 107.4 Ų | 107.4 | 36% | 0.361 | 55% | 0.551 | S | S | . | * | trans | -49.5 | 132.2 | 160.9 | -72.3 | 164.1 | 0 | 0 | 0 | 107.3 | Q186 | Q186-L188 PolarHBondContact O-N 3.41Š| ||
| 189 | E | 85.9 | Confident | 82.8 | Confident | 127 Ų | 127 | 108.5 Ų | 108.5 | 59% | 0.593 | 55% | 0.553 | S | S | * | * | trans | -51.5 | 133.7 | 175.1 | -81 | -68.3 | 147.1 | 0 | 0 | 108.6 | T187 R191 E192 Y193 | T187-E189 PolarHBondContact O-N 3.39Å; E189-R191 PolarHBondContact O-N 3.11Å; E189-E192 HydrophobicContact CB-CB 4.49Å; E189-E192 HydrophobicContact CB-CG 4.06Å; E189-E192 WeakPolarHBondContact O-CB 3.37Å; E189-E192 PolarHBondContact O-N 3.18Å; E189-Y193 PolarHBondContact O-N 3.25Å; E189-Y193 VanDerWaalsContact O-N 3.1Å | ||
| 190 | P | 85.1 | Confident | 83.1 | Confident | 96 Ų | 96 | 110.5 Ų | 110.5 | 62% | 0.623 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -53.1 | -32.1 | -173.4 | -29.4 | 34.7 | 0 | 0 | 0 | 113.4 | V194 | P190-V194 VanDerWaalsContact O-CG2 3.28Å; P190-V194 WeakPolarHBondContact O-CG2 3.36Å; P190-V194 PolarHBondContact O-N 3.38Å; P190-V194 VanDerWaalsContact O-N 3.12Å |
| 191 | R | 91.1 | Very high | 83.3 | Confident | 182 Ų | 182 | 110.5 Ų | 110.5 | 69% | 0.687 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.2 | -45.4 | 175.4 | -177 | -177.1 | 165.8 | 96.8 | 8.7 | 112.4 | E189 Y193 V194 E195 | E189-R191 PolarHBondContact O-N 3.11Å; R191-Y193 VanDerWaalsContact C-N 3.33Å; R191-V194 PolarHBondContact O-N 3Å; R191-E195 IonicContact CZ-OE1 3Å; R191-E195 IonicContact NE-OE1 2.94Å; R191-E195 PolarHBondContact NE-OE1 3Å; R191-E195 IonicContact NH2-OE1 2.68Å; R191-E195 PolarHBondContact NH2-OE1 3.13Å; R191-E195 WeakPolarHBondContact O-CG 3.36Å; R191-E195 PolarHBondContact O-N 2.85Å |
| 192 | E | 91.2 | Very high | 83.8 | Confident | 95 Ų | 95 | 109 Ų | 109 | 44% | 0.444 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65 | -40.2 | 178.7 | -64.5 | -176.9 | 170.9 | 0 | 0 | 111.2 | E189 V194 E195 R196 | E189-E192 HydrophobicContact CB-CB 4.49Å; E189-E192 HydrophobicContact CB-CG 4.06Å; E189-E192 WeakPolarHBondContact O-CB 3.37Å; E189-E192 PolarHBondContact O-N 3.18Å; E192-V194 VanDerWaalsContact C-N 3.35Å; E192-V194 PolarHBondContact O-N 3.07Å; E192-E195 PolarHBondContact O-N 3.46Å; E192-R196 WeakPolarHBondContact O-CB 3.41Å; E192-R196 PolarHBondContact O-N 3.38Å |
| 193 | Y | 89 | Confident | 84.4 | Confident | 151 Ų | 151 | 110 Ų | 110 | 59% | 0.592 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.5 | -47.5 | 174.5 | 179 | -94.8 | 0 | 0 | 0 | 111.4 | E189 R191 R196 A197 | E189-Y193 PolarHBondContact O-N 3.25Å; E189-Y193 VanDerWaalsContact O-N 3.1Å; R191-Y193 VanDerWaalsContact C-N 3.33Å; Y193-R196 PolarHBondContact O-N 3.05Å; Y193-A197 VanDerWaalsContact O-CB 3.26Å; Y193-A197 WeakPolarHBondContact O-CB 3.31Å; Y193-A197 PolarHBondContact O-N 3.42Å |
| 194 | V | 92.8 | Very high | 85.1 | Confident | 62 Ų | 62 | 108.1 Ų | 108.1 | 38% | 0.376 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 179.6 | 171.5 | 0 | 0 | 0 | 0 | 111.7 | P190 R191 E192 A197 R198 | P190-V194 VanDerWaalsContact O-CG2 3.28Å; P190-V194 WeakPolarHBondContact O-CG2 3.36Å; P190-V194 PolarHBondContact O-N 3.38Å; P190-V194 VanDerWaalsContact O-N 3.12Å; R191-V194 PolarHBondContact O-N 3Å; E192-V194 VanDerWaalsContact C-N 3.35Å; E192-V194 PolarHBondContact O-N 3.07Å; V194-A197 PolarHBondContact O-N 2.8Å; V194-R198 WeakPolarHBondContact O-CG 3.3Å; V194-R198 PolarHBondContact O-N 3.43Å |
| 195 | E | 93.5 | Very high | 85.7 | Confident | 87 Ų | 87 | 104.1 Ų | 104.1 | 41% | 0.407 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 177.6 | -74.8 | 177.3 | -177.4 | 0 | 0 | 111.5 | R191 E192 R198 H199 | R191-E195 IonicContact CZ-OE1 3Å; R191-E195 IonicContact NE-OE1 2.94Å; R191-E195 PolarHBondContact NE-OE1 3Å; R191-E195 IonicContact NH2-OE1 2.68Å; R191-E195 PolarHBondContact NH2-OE1 3.13Å; R191-E195 WeakPolarHBondContact O-CG 3.36Å; R191-E195 PolarHBondContact O-N 2.85Å; E192-E195 PolarHBondContact O-N 3.46Å; E195-R198 PolarHBondContact O-N 2.81Å; E195-H199 PolarHBondContact O-N 3.26Å |
| 196 | R | 92.2 | Very high | 86.6 | Confident | 100 Ų | 100 | 106.8 Ų | 106.8 | 38% | 0.377 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 176.4 | -171.6 | 177.9 | -67.2 | 157.8 | 6.9 | 111.9 | E192 Y193 R198 H199 Y200 | E192-R196 WeakPolarHBondContact O-CB 3.41Å; E192-R196 PolarHBondContact O-N 3.38Å; Y193-R196 PolarHBondContact O-N 3.05Å; R196-R198 VanDerWaalsContact C-N 3.35Å; R196-R198 PolarHBondContact O-N 3.1Å; R196-H199 PolarHBondContact O-N 3.35Å; R196-Y200 WeakPolarHBondContact CD-OH 3.22Å; R196-Y200 HydrophobicContact CG-CD2 4.08Å; R196-Y200 HydrophobicContact CG-CE1 4.01Å; R196-Y200 HydrophobicContact CG-CE2 3.47Å; R196-Y200 VanDerWaalsContact CG-CE2 3.47Å; R196-Y200 VanDerWaalsContact CG-CZ 3.43Å; R196-Y200 VanDerWaalsContact O-CG 3.3Å; R196-Y200 PolarHBondContact O-N 3.46Å |
| 197 | A | 91.1 | Very high | 87.3 | Confident | 32 Ų | 32 | 103.1 Ų | 103.1 | 26% | 0.264 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.7 | -41 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y193 V194 N201 | Y193-A197 VanDerWaalsContact O-CB 3.26Å; Y193-A197 WeakPolarHBondContact O-CB 3.31Å; Y193-A197 PolarHBondContact O-N 3.42Å; V194-A197 PolarHBondContact O-N 2.8Å; A197-N201 WeakPolarHBondContact O-CB 3.25Å; A197-N201 VanDerWaalsContact O-CG 3.29Å; A197-N201 PolarHBondContact O-N 3.01Å; A197-N201 PolarHBondContact O-ND2 2.86Å |
| 198 | R | 94.5 | Very high | 86.8 | Confident | 172 Ų | 172 | 105.2 Ų | 105.2 | 65% | 0.649 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.5 | -43.7 | 173.9 | -74.2 | 179.2 | -165.7 | 170.8 | 5.3 | 111.7 | V194 E195 R196 N201 A202 | V194-R198 WeakPolarHBondContact O-CG 3.3Å; V194-R198 PolarHBondContact O-N 3.43Å; E195-R198 PolarHBondContact O-N 2.81Å; R196-R198 VanDerWaalsContact C-N 3.35Å; R196-R198 PolarHBondContact O-N 3.1Å; R198-N201 PolarHBondContact O-N 3.47Å; R198-A202 PolarHBondContact O-N 2.99Å |
| 199 | H | 93 | Very high | 85.9 | Confident | 119 Ų | 119 | 107.1 Ų | 107.1 | 55% | 0.551 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61 | -47.5 | 177.6 | -177.5 | 70.3 | 0 | 0 | 0 | 111.5 | E195 R196 N201 A202 V203 | E195-H199 PolarHBondContact O-N 3.26Å; R196-H199 PolarHBondContact O-N 3.35Å; H199-N201 PolarHBondContact O-N 3.15Å; H199-A202 WeakPolarHBondContact O-CB 3.31Å; H199-A202 PolarHBondContact O-N 2.67Å; H199-A202 VanDerWaalsContact O-N 3.15Å; H199-V203 WeakPolarHBondContact O-CG2 3.46Å; H199-V203 PolarHBondContact O-N 3.1Å |
| 200 | Y | 92.2 | Very high | 84.4 | Confident | 134 Ų | 134 | 104.7 Ų | 104.7 | 53% | 0.525 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 176.6 | -64.7 | -20.1 | 0 | 0 | 0 | 112.7 | R196 A202 V203 L204 | R196-Y200 WeakPolarHBondContact CD-OH 3.22Å; R196-Y200 HydrophobicContact CG-CD2 4.08Å; R196-Y200 HydrophobicContact CG-CE1 4.01Å; R196-Y200 HydrophobicContact CG-CE2 3.47Å; R196-Y200 VanDerWaalsContact CG-CE2 3.47Å; R196-Y200 VanDerWaalsContact CG-CZ 3.43Å; R196-Y200 VanDerWaalsContact O-CG 3.3Å; R196-Y200 PolarHBondContact O-N 3.46Å; Y200-A202 VanDerWaalsContact C-N 3.32Å; Y200-A202 PolarHBondContact O-N 2.96Å; Y200-V203 PolarHBondContact O-N 3.31Å; Y200-L204 VanDerWaalsContact O-CB 3.3Å; Y200-L204 WeakPolarHBondContact O-CB 3.45Å; Y200-L204 VanDerWaalsContact O-CG 3.25Å; Y200-L204 WeakPolarHBondContact O-CG 3.17Å; Y200-L204 PolarHBondContact O-N 2.94Å |
| 201 | N | 89.5 | Confident | 83 | Confident | 107 Ų | 107 | 104.7 Ų | 104.7 | 57% | 0.572 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.4 | -38.1 | 174.5 | -76.5 | -30.8 | 0 | 0 | 0 | 112.3 | A197 R198 H199 S205 | A197-N201 WeakPolarHBondContact O-CB 3.25Å; A197-N201 VanDerWaalsContact O-CG 3.29Å; A197-N201 PolarHBondContact O-N 3.01Å; A197-N201 PolarHBondContact O-ND2 2.86Å; R198-N201 PolarHBondContact O-N 3.47Å; H199-N201 PolarHBondContact O-N 3.15Å; N201-S205 WeakPolarHBondContact O-CB 3.32Å; N201-S205 PolarHBondContact O-N 3.34Å |
| 202 | A | 90.9 | Very high | 81.3 | Confident | 42 Ų | 42 | 100 Ų | 100 | 35% | 0.347 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.6 | -49.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | R198 H199 Y200 L204 S205 H206 | R198-A202 PolarHBondContact O-N 2.99Å; H199-A202 WeakPolarHBondContact O-CB 3.31Å; H199-A202 PolarHBondContact O-N 2.67Å; H199-A202 VanDerWaalsContact O-N 3.15Å; Y200-A202 VanDerWaalsContact C-N 3.32Å; Y200-A202 PolarHBondContact O-N 2.96Å; A202-L204 PolarHBondContact O-N 3.35Å; A202-S205 PolarHBondContact O-N 3.35Å; A202-S205 VanDerWaalsContact O-N 3.1Å; A202-S205 PolarHBondContact O-OG 2.83Å; A202-H206 PolarHBondContact O-CD2 2.9Å; A202-H206 PolarHBondContact O-N 3.31Å; A202-H206 VanDerWaalsContact O-N 3.15Å |
| 203 | V | 90 | Very high | 79.5 | Confident | 65 Ų | 65 | 100.8 Ų | 100.8 | 39% | 0.394 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.3 | -47.8 | 176.1 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | H199 Y200 S205 H206 L207 | H199-V203 WeakPolarHBondContact O-CG2 3.46Å; H199-V203 PolarHBondContact O-N 3.1Å; Y200-V203 PolarHBondContact O-N 3.31Å; V203-S205 PolarHBondContact O-N 2.94Å; V203-H206 PolarHBondContact O-N 3.36Å; V203-H206 VanDerWaalsContact O-N 3.1Å; V203-L207 HydrophobicContact CG1-CD1 4.17Å; V203-L207 HydrophobicContact CG1-CG 4.44Å; V203-L207 WeakPolarHBondContact O-CG 3.25Å; V203-L207 PolarHBondContact O-N 3.3Å |
| 204 | L | 84.9 | Confident | 77.9 | Confident | 90 Ų | 90 | 99.7 Ų | 99.7 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.4 | -31.1 | 176.9 | -75.8 | 172.4 | 0 | 0 | 0 | 113.1 | Y200 A202 L207 F209 | Y200-L204 VanDerWaalsContact O-CB 3.3Å; Y200-L204 WeakPolarHBondContact O-CB 3.45Å; Y200-L204 VanDerWaalsContact O-CG 3.25Å; Y200-L204 WeakPolarHBondContact O-CG 3.17Å; Y200-L204 PolarHBondContact O-N 2.94Å; A202-L204 PolarHBondContact O-N 3.35Å; L204-L207 HydrophobicContact CD2-CD1 4.37Å; L204-L207 VanDerWaalsContact O-O 3.08Å; L204-F209 HydrophobicContact CD2-CE2 4.03Å |
| 205 | S | 81.7 | Confident | 76.1 | Confident | 82 Ų | 82 | 105.1 Ų | 105.1 | 57% | 0.573 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -74.7 | -28.5 | 176.4 | 75.5 | 0 | 0 | 0 | 0 | 113.4 | N201 A202 V203 | N201-S205 WeakPolarHBondContact O-CB 3.32Å; N201-S205 PolarHBondContact O-N 3.34Å; A202-S205 PolarHBondContact O-N 3.35Å; A202-S205 VanDerWaalsContact O-N 3.1Å; A202-S205 PolarHBondContact O-OG 2.83Å; V203-S205 PolarHBondContact O-N 2.94Å |
| 206 | H | 80.4 | Confident | 74.4 | Confident | 146 Ų | 146 | 104.1 Ų | 104.1 | 68% | 0.676 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -82.4 | -28.5 | 175.3 | -67.9 | -60 | 0 | 0 | 0 | 112.6 | A202 V203 N208 | A202-H206 PolarHBondContact O-CD2 2.9Å; A202-H206 PolarHBondContact O-N 3.31Å; A202-H206 VanDerWaalsContact O-N 3.15Å; V203-H206 PolarHBondContact O-N 3.36Å; V203-H206 VanDerWaalsContact O-N 3.1Å; H206-N208 PolarHBondContact O-N 2.93Å |
| 207 | L | 78 | Confident | 72.9 | Confident | 92 Ų | 92 | 105.2 Ų | 105.2 | 48% | 0.482 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -66.9 | 100.5 | 166.2 | -64.8 | 173.7 | 0 | 0 | 0 | 107.5 | V203 L204 F209 | V203-L207 HydrophobicContact CG1-CD1 4.17Å; V203-L207 HydrophobicContact CG1-CG 4.44Å; V203-L207 WeakPolarHBondContact O-CG 3.25Å; V203-L207 PolarHBondContact O-N 3.3Å; L204-L207 HydrophobicContact CD2-CD1 4.37Å; L204-L207 VanDerWaalsContact O-O 3.08Å; L207-F209 HydrophobicContact CB-CD2 4.05Å; L207-F209 HydrophobicContact CB-CE2 3.92Å; L207-F209 HydrophobicContact CD1-CE2 4.19Å; L207-F209 PolarHBondContact O-N 3.03Å |
| 208 | N | 59 | Low | 71.4 | Confident | 159 Ų | 159 | 109 Ų | 109 | 85% | 0.85 | 59% | 0.588 | S | S | * | * | trans | -62.4 | 71.7 | 174.1 | -77 | -56.3 | 0 | 0 | 0 | 110.7 | H206 S210 | H206-N208 PolarHBondContact O-N 2.93Å; N208-S210 VanDerWaalsContact C-N 3.27Å; N208-S210 PolarHBondContact O-N 3.43Å | ||
| 209 | F | 58 | Low | 69.8 | Low | 110 Ų | 110 | 107.2 Ų | 107.2 | 48% | 0.482 | 60% | 0.595 | S | S | . | * | trans | -67.1 | 95.1 | 162.3 | -78.3 | -71.9 | 0 | 0 | 0 | 105.9 | L204 L207 P211 | L204-F209 HydrophobicContact CD2-CE2 4.03Å; L207-F209 HydrophobicContact CB-CD2 4.05Å; L207-F209 HydrophobicContact CB-CE2 3.92Å; L207-F209 HydrophobicContact CD1-CE2 4.19Å; L207-F209 PolarHBondContact O-N 3.03Å; F209-P211 WeakPolarHBondContact O-CD 3.3Å | ||
| 210 | S | 53.3 | Low | 68 | Low | 75 Ų | 75 | 106.4 Ų | 106.4 | 52% | 0.524 | 60% | 0.603 | S | S | . | * | trans | -48.4 | 111.8 | 165.1 | -179.9 | 0 | 0 | 0 | 0 | 107.3 | N208 S212 | N208-S210 VanDerWaalsContact C-N 3.27Å; N208-S210 PolarHBondContact O-N 3.43Å; S210-S212 PolarHBondContact O-N 2.91Å; S210-S212 PolarHBondContact OG-OG 2.9Å | ||
| 211 | P | 56.1 | Low | 66.6 | Low | 96 Ų | 96 | 107 Ų | 107 | 62% | 0.623 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 5.9 | -175.3 | 26.8 | -31.8 | 0 | 0 | 0 | 112.3 | F209 T213 F215 | F209-P211 WeakPolarHBondContact O-CD 3.3Å; P211-T213 VanDerWaalsContact C-N 3.34Å; P211-T213 PolarHBondContact O-N 3.15Å; P211-F215 HydrophobicContact CB-CD2 4.3Å |
| 212 | S | 55.1 | Low | 65.5 | Low | 84 Ų | 84 | 110 Ų | 110 | 59% | 0.587 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -12.9 | -169.9 | 64.2 | 0 | 0 | 0 | 0 | 115.3 | S210 | S210-S212 PolarHBondContact O-N 2.91Å; S210-S212 PolarHBondContact OG-OG 2.9Å |
| 213 | T | 55.2 | Low | 64.1 | Low | 111 Ų | 111 | 113.4 Ų | 113.4 | 68% | 0.681 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.5 | -8.8 | -173 | 42.4 | 0 | 0 | 0 | 0 | 116.7 | P211 | P211-T213 VanDerWaalsContact C-N 3.34Å; P211-T213 PolarHBondContact O-N 3.15Å |
| 214 | K | 54.1 | Low | 63 | Low | 128 Ų | 128 | 114.3 Ų | 114.3 | 56% | 0.557 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | -17.4 | -174.9 | -63.9 | -172.3 | -177.6 | -175.1 | 0 | 115.5 | ||
| 215 | F | 54.7 | Low | 62.4 | Low | 176 Ų | 176 | 117 Ų | 117 | 77% | 0.772 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -105.3 | -9.9 | -178.8 | -65.4 | -72.8 | 0 | 0 | 0 | 114.1 | P211 V217 | P211-F215 HydrophobicContact CB-CD2 4.3Å; F215-V217 PolarHBondContact O-N 3.33Å |
| 216 | A | 58.2 | Low | 62.2 | Low | 67 Ų | 67 | 115.3 Ų | 115.3 | 55% | 0.554 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -82.5 | 116.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | P218 | A216-P218 WeakPolarHBondContact O-CD 3.45Š|
| 217 | V | 61.9 | Low | 62.4 | Low | 122 Ų | 122 | 112.6 Ų | 112.6 | 74% | 0.739 | 65% | 0.651 | S | S | * | * | trans | -46.6 | 118.7 | 159.2 | 175.4 | 0 | 0 | 0 | 0 | 105.5 | F215 V219 | F215-V217 PolarHBondContact O-N 3.33Å; V217-V219 VanDerWaalsContact C-N 3.31Å; V217-V219 PolarHBondContact O-N 3.24Å | ||
| 218 | P | 59.3 | Low | 62.6 | Low | 113 Ų | 113 | 116.1 Ų | 116.1 | 73% | 0.734 | 67% | 0.665 | S | S | * | * | trans | -62.7 | 101.6 | -179.4 | 22.5 | -30 | 0 | 0 | 0 | 107 | A216 S220 | A216-P218 WeakPolarHBondContact O-CD 3.45Å; P218-S220 PolarHBondContact O-N 3.32Å | ||
| 219 | V | 60.3 | Low | 63.7 | Low | 133 Ų | 133 | 111 Ų | 111 | 81% | 0.806 | 65% | 0.645 | S | S | * | * | trans | -74.6 | 65 | 166.8 | -176.2 | 0 | 0 | 0 | 0 | 106.2 | V217 L221 | V217-V219 VanDerWaalsContact C-N 3.31Å; V217-V219 PolarHBondContact O-N 3.24Å; V219-L221 PolarHBondContact O-N 3.42Å | ||
| 220 | S | 56.2 | Low | 64.8 | Low | 102 Ų | 102 | 107.9 Ų | 107.9 | 71% | 0.713 | 64% | 0.637 | S | S | * | * | trans | -96.5 | 56 | 173.1 | -179 | 0 | 0 | 0 | 0 | 108.6 | P218 | P218-S220 PolarHBondContact O-N 3.32Š| ||
| 221 | L | 61.7 | Low | 66.3 | Low | 147 Ų | 147 | 110.7 Ų | 110.7 | 77% | 0.77 | 65% | 0.645 | S | S | * | * | trans | -93.7 | 110.1 | 154.8 | -62.2 | 178.2 | 0 | 0 | 0 | 104.7 | V219 P223 | V219-L221 PolarHBondContact O-N 3.42Å; L221-P223 VanDerWaalsContact O-CD 3.31Å; L221-P223 WeakPolarHBondContact O-CD 3.42Å | ||
| 222 | Q | 66.1 | Low | 67.7 | Low | 171 Ų | 171 | 110.4 Ų | 110.4 | 80% | 0.799 | 65% | 0.645 | S | S | * | * | trans | -52.6 | 119.9 | 170.6 | -78.1 | -171.9 | -45.9 | 0 | 0 | 107.2 | V224 | Q222-V224 PolarHBondContact O-N 2.85Š| ||
| 223 | P | 60.8 | Low | 69.2 | Low | 112 Ų | 112 | 112.9 Ų | 112.9 | 73% | 0.727 | 65% | 0.645 | S | S | * | * | trans | -60.5 | 121.1 | -179 | 19.8 | -28 | 0 | 0 | 0 | 107.7 | L221 T225 | L221-P223 VanDerWaalsContact O-CD 3.31Å; L221-P223 WeakPolarHBondContact O-CD 3.42Å; P223-T225 VanDerWaalsContact C-N 3.33Å; P223-T225 PolarHBondContact O-N 2.88Å | ||
| 224 | V | 67.3 | Low | 70.8 | Confident | 84 Ų | 84 | 113.2 Ų | 113.2 | 51% | 0.509 | 65% | 0.649 | S | S | . | * | trans | -62 | 101.7 | 168.8 | 174.4 | 0 | 0 | 0 | 0 | 105.9 | Q222 S226 V227 S230 | Q222-V224 PolarHBondContact O-N 2.85Å; V224-S226 VanDerWaalsContact CG1-O 3.29Å; V224-S226 WeakPolarHBondContact CG1-O 3.49Å; V224-S226 PolarHBondContact O-N 3.25Å; V224-S226 VanDerWaalsContact O-N 3.11Å; V224-V227 HydrophobicContact CG1-CG2 4.46Å; V224-S230 WeakPolarHBondContact CG1-OG 3.17Å | ||
| 225 | T | 72.8 | Confident | 72.4 | Confident | 146 Ų | 146 | 112.9 Ų | 112.9 | 90% | 0.896 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -63.2 | -19.8 | -172 | 52.9 | 0 | 0 | 0 | 0 | 113 | P223 | P223-T225 VanDerWaalsContact C-N 3.33Å; P223-T225 PolarHBondContact O-N 2.88Å |
| 226 | S | 78.3 | Confident | 74.1 | Confident | 48 Ų | 48 | 110.5 Ų | 110.5 | 34% | 0.336 | 66% | 0.655 | S | S | . | * | trans | -144.9 | 108.5 | 167.4 | 174.8 | 0 | 0 | 0 | 0 | 110 | V224 E228 A229 S230 | V224-S226 VanDerWaalsContact CG1-O 3.29Å; V224-S226 WeakPolarHBondContact CG1-O 3.49Å; V224-S226 PolarHBondContact O-N 3.25Å; V224-S226 VanDerWaalsContact O-N 3.11Å; S226-E228 VanDerWaalsContact C-N 3.33Å; S226-A229 PolarHBondContact O-N 2.95Å; S226-A229 VanDerWaalsContact OG-CB 3.32Å; S226-A229 WeakPolarHBondContact OG-CB 3.37Å; S226-A229 PolarHBondContact OG-N 3.31Å; S226-A229 VanDerWaalsContact OG-N 3.13Å; S226-S230 PolarHBondContact O-N 3.34Å; S226-S230 PolarHBondContact O-OG 2.66Å | ||
| 227 | V | 83 | Confident | 75.8 | Confident | 89 Ų | 89 | 110.2 Ų | 110.2 | 54% | 0.539 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -62.8 | -43.2 | 175.8 | 175 | 0 | 0 | 0 | 0 | 110 | V224 A229 S230 I231 | V224-V227 HydrophobicContact CG1-CG2 4.46Å; V227-A229 VanDerWaalsContact C-N 3.35Å; V227-A229 PolarHBondContact O-N 2.94Å; V227-S230 PolarHBondContact O-N 2.7Å; V227-I231 HydrophobicContact CG1-CD1 3.52Å; V227-I231 HydrophobicContact CG1-CG1 4.21Å; V227-I231 WeakPolarHBondContact O-CG1 3.49Å; V227-I231 PolarHBondContact O-N 2.98Å |
| 228 | E | 83.2 | Confident | 77.3 | Confident | 165 Ų | 165 | 113.6 Ų | 113.6 | 77% | 0.771 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -59.6 | -42.9 | 178 | -62.1 | -178.5 | 173 | 0 | 0 | 111.9 | S226 S230 S232 | S226-E228 VanDerWaalsContact C-N 3.33Å; E228-S230 VanDerWaalsContact C-N 3.28Å; E228-S230 PolarHBondContact O-N 3.23Å; E228-S232 VanDerWaalsContact O-CB 3.24Å; E228-S232 WeakPolarHBondContact O-CB 3.31Å; E228-S232 PolarHBondContact O-N 2.97Å; E228-S232 PolarHBondContact O-OG 2.81Å |
| 229 | A | 82.1 | Confident | 79 | Confident | 52 Ų | 52 | 116.5 Ų | 116.5 | 43% | 0.43 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -68.8 | -26.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S226 V227 S232 | S226-A229 PolarHBondContact O-N 2.95Å; S226-A229 VanDerWaalsContact OG-CB 3.32Å; S226-A229 WeakPolarHBondContact OG-CB 3.37Å; S226-A229 PolarHBondContact OG-N 3.31Å; S226-A229 VanDerWaalsContact OG-N 3.13Å; V227-A229 VanDerWaalsContact C-N 3.35Å; V227-A229 PolarHBondContact O-N 2.94Å; A229-S232 VanDerWaalsContact CA-OG 3.31Å; A229-S232 WeakPolarHBondContact CA-OG 3.37Å; A229-S232 PolarHBondContact O-OG 2.89Å |
| 230 | S | 81.3 | Confident | 80.6 | Confident | 44 Ų | 44 | 112.1 Ų | 112.1 | 31% | 0.308 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -83.7 | -37.1 | 179.6 | -65.8 | 0 | 0 | 0 | 0 | 112.8 | V224 S226 V227 E228 | V224-S230 WeakPolarHBondContact CG1-OG 3.17Å; S226-S230 PolarHBondContact O-N 3.34Å; S226-S230 PolarHBondContact O-OG 2.66Å; V227-S230 PolarHBondContact O-N 2.7Å; E228-S230 VanDerWaalsContact C-N 3.28Å; E228-S230 PolarHBondContact O-N 3.23Å |
| 231 | I | 83.7 | Confident | 82.4 | Confident | 134 Ų | 134 | 111.6 Ų | 111.6 | 69% | 0.687 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -75.1 | -28.4 | 176.2 | -62.9 | 174 | 0 | 0 | 0 | 111.2 | V227 K233 | V227-I231 HydrophobicContact CG1-CD1 3.52Å; V227-I231 HydrophobicContact CG1-CG1 4.21Å; V227-I231 WeakPolarHBondContact O-CG1 3.49Å; V227-I231 PolarHBondContact O-N 2.98Å; I231-K233 PolarHBondContact O-N 3.34Å |
| 232 | S | 86.9 | Confident | 84 | Confident | 91 Ų | 91 | 108.4 Ų | 108.4 | 64% | 0.636 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -0.8 | 176.3 | 55.4 | 0 | 0 | 0 | 0 | 114.6 | E228 A229 | E228-S232 VanDerWaalsContact O-CB 3.24Å; E228-S232 WeakPolarHBondContact O-CB 3.31Å; E228-S232 PolarHBondContact O-N 2.97Å; E228-S232 PolarHBondContact O-OG 2.81Å; A229-S232 VanDerWaalsContact CA-OG 3.31Å; A229-S232 WeakPolarHBondContact CA-OG 3.37Å; A229-S232 PolarHBondContact O-OG 2.89Å |
| 233 | K | 86.2 | Confident | 85.4 | Confident | 136 Ų | 136 | 107.6 Ų | 107.6 | 59% | 0.591 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -62.9 | 142.9 | 173.2 | -70.7 | 175.1 | -177.3 | 168.1 | 0 | 110.1 | I231 | I231-K233 PolarHBondContact O-N 3.34Š|
| 234 | P | 88.4 | Confident | 87.1 | Confident | 117 Ų | 117 | 107.3 Ų | 107.3 | 76% | 0.76 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 141 | 177.4 | 24.2 | -33.1 | 0 | 0 | 0 | 110.3 | ||
| 235 | P | 88.3 | Confident | 88.5 | Confident | 121 Ų | 121 | 108.5 Ų | 108.5 | 79% | 0.786 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 158.4 | 178.1 | 27.2 | -34.7 | 0 | 0 | 0 | 110.9 | S237 | P235-S237 PolarHBondContact O-N 3.26Š|
| 236 | L | 90.3 | Very high | 89.6 | Confident | 127 Ų | 127 | 108 Ų | 108 | 67% | 0.665 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 135.5 | 173.3 | -73.8 | 171.5 | 0 | 0 | 0 | 110.3 | L241 | L236-L241 HydrophobicContact CD1-CD2 4.5Š|
| 237 | S | 93.3 | Very high | 90.5 | Very high | 61 Ų | 61 | 109.7 Ų | 109.7 | 43% | 0.427 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 144.1 | -178.3 | 86.4 | 0 | 0 | 0 | 0 | 111 | P235 R239 S240 L241 | P235-S237 PolarHBondContact O-N 3.26Å; S237-R239 PolarHBondContact O-N 2.95Å; S237-S240 WeakPolarHBondContact O-CB 3.39Å; S237-S240 PolarHBondContact O-N 3.33Å; S237-S240 PolarHBondContact OG-N 3.02Å; S237-S240 PolarHBondContact OG-OG 3.4Å; S237-L241 PolarHBondContact O-N 3.26Å |
| 238 | R | 94.3 | Very high | 91.2 | Very high | 192 Ų | 192 | 108.1 Ų | 108.1 | 73% | 0.725 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -56 | -36.4 | 178.1 | -154.5 | -173.2 | 81.9 | 167.4 | 6 | 112.2 | S240 L241 E242 | R238-S240 VanDerWaalsContact C-N 3.31Å; R238-S240 PolarHBondContact O-N 3.18Å; R238-L241 PolarHBondContact O-N 2.96Å; R238-E242 IonicContact CZ-OE1 3.18Å; R238-E242 IonicContact NE-OE1 2.78Å; R238-E242 PolarHBondContact NE-OE1 2.9Å; R238-E242 IonicContact NH2-OE1 2.85Å; R238-E242 PolarHBondContact NH2-OE1 3.46Å; R238-E242 WeakPolarHBondContact O-CG 3.34Å; R238-E242 PolarHBondContact O-N 2.83Å |
| 239 | R | 94.6 | Very high | 91.8 | Very high | 174 Ų | 174 | 103.5 Ų | 103.5 | 66% | 0.657 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.5 | -35.5 | 175.9 | -167 | 179.5 | -161.7 | 143.9 | 2.5 | 112.7 | S237 R243 | S237-R239 PolarHBondContact O-N 2.95Å; R239-R243 WeakPolarHBondContact O-CG 3.3Å; R239-R243 PolarHBondContact O-N 2.99Å; R239-R243 VanDerWaalsContact O-N 3.16Å |
| 240 | S | 92.8 | Very high | 92.5 | Very high | 42 Ų | 42 | 106.8 Ų | 106.8 | 29% | 0.294 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.9 | -42.6 | 176.6 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | S237 R238 R243 L244 | S237-S240 WeakPolarHBondContact O-CB 3.39Å; S237-S240 PolarHBondContact O-N 3.33Å; S237-S240 PolarHBondContact OG-N 3.02Å; S237-S240 PolarHBondContact OG-OG 3.4Å; R238-S240 VanDerWaalsContact C-N 3.31Å; R238-S240 PolarHBondContact O-N 3.18Å; S240-R243 PolarHBondContact O-N 3.47Å; S240-L244 PolarHBondContact O-N 3.13Å |
| 241 | L | 94.3 | Very high | 93.1 | Very high | 90 Ų | 90 | 109.2 Ų | 109.2 | 47% | 0.471 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64 | -45.2 | 176.6 | -66.8 | 172.6 | 0 | 0 | 0 | 111.6 | L236 S237 R238 R243 L244 D245 | L236-L241 HydrophobicContact CD1-CD2 4.5Å; S237-L241 PolarHBondContact O-N 3.26Å; R238-L241 PolarHBondContact O-N 2.96Å; L241-R243 PolarHBondContact O-N 2.85Å; L241-L244 PolarHBondContact O-N 2.91Å; L241-D245 WeakPolarHBondContact O-CB 3.5Å; L241-D245 PolarHBondContact O-N 3.25Å |
| 242 | E | 96.7 | Very high | 93.7 | Very high | 80 Ų | 80 | 111.1 Ų | 111.1 | 37% | 0.374 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.4 | -30.9 | 175.1 | -71.4 | 168.8 | -167.4 | 0 | 0 | 112.7 | R238 K246 | R238-E242 IonicContact CZ-OE1 3.18Å; R238-E242 IonicContact NE-OE1 2.78Å; R238-E242 PolarHBondContact NE-OE1 2.9Å; R238-E242 IonicContact NH2-OE1 2.85Å; R238-E242 PolarHBondContact NH2-OE1 3.46Å; R238-E242 WeakPolarHBondContact O-CG 3.34Å; R238-E242 PolarHBondContact O-N 2.83Å; E242-K246 VanDerWaalsContact O-CG 3.3Å; E242-K246 WeakPolarHBondContact O-CG 3.22Å; E242-K246 PolarHBondContact O-N 3.16Å |
| 243 | R | 95.3 | Very high | 94.1 | Very high | 155 Ų | 155 | 111.4 Ų | 111.4 | 59% | 0.585 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -73.8 | -42.5 | 174.2 | -76.2 | 175.2 | -174.4 | 168.1 | -0 | 112.3 | R239 S240 L241 D245 K246 L247 | R239-R243 WeakPolarHBondContact O-CG 3.3Å; R239-R243 PolarHBondContact O-N 2.99Å; R239-R243 VanDerWaalsContact O-N 3.16Å; S240-R243 PolarHBondContact O-N 3.47Å; L241-R243 PolarHBondContact O-N 2.85Å; R243-D245 VanDerWaalsContact C-N 3.31Å; R243-K246 PolarHBondContact O-N 2.91Å; R243-L247 WeakPolarHBondContact O-CB 3.31Å; R243-L247 PolarHBondContact O-N 3.27Å |
| 244 | L | 95.6 | Very high | 94.5 | Very high | 105 Ų | 105 | 108.4 Ų | 108.4 | 55% | 0.55 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 177.7 | -76.1 | 170.6 | 0 | 0 | 0 | 111.2 | S240 L241 L247 A248 | S240-L244 PolarHBondContact O-N 3.13Å; L241-L244 PolarHBondContact O-N 2.91Å; L244-L247 PolarHBondContact O-N 3.24Å; L244-A248 WeakPolarHBondContact O-CB 3.08Å; L244-A248 PolarHBondContact O-N 3.49Å |
| 245 | D | 97.1 | Very high | 94.7 | Very high | 109 Ų | 109 | 108.5 Ų | 108.5 | 58% | 0.583 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61 | -49.7 | 175.6 | -172.3 | 60.8 | 0 | 0 | 0 | 111.4 | L241 R243 L247 A248 T249 | L241-D245 WeakPolarHBondContact O-CB 3.5Å; L241-D245 PolarHBondContact O-N 3.25Å; R243-D245 VanDerWaalsContact C-N 3.31Å; D245-L247 VanDerWaalsContact C-N 3.33Å; D245-L247 PolarHBondContact O-N 3.41Å; D245-A248 WeakPolarHBondContact O-CB 3.34Å; D245-A248 PolarHBondContact O-N 2.85Å; D245-A248 VanDerWaalsContact O-N 3.15Å; D245-T249 PolarHBondContact O-N 2.78Å; D245-T249 PolarHBondContact O-OG1 3.05Å |
| 246 | K | 96.8 | Very high | 95 | Very high | 137 Ų | 137 | 105.8 Ų | 105.8 | 60% | 0.596 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.1 | -42.5 | 174.8 | -74.7 | 176.5 | -178.8 | -174.2 | 0 | 113 | E242 R243 T249 Q250 | E242-K246 VanDerWaalsContact O-CG 3.3Å; E242-K246 WeakPolarHBondContact O-CG 3.22Å; E242-K246 PolarHBondContact O-N 3.16Å; R243-K246 PolarHBondContact O-N 2.91Å; K246-T249 PolarHBondContact O-N 3.27Å; K246-Q250 WeakPolarHBondContact O-CB 3.32Å; K246-Q250 VanDerWaalsContact O-CG 3.25Å; K246-Q250 WeakPolarHBondContact O-CG 3.36Å; K246-Q250 PolarHBondContact O-N 2.98Å |
| 247 | L | 96.5 | Very high | 95.1 | Very high | 83 Ų | 83 | 106.4 Ų | 106.4 | 44% | 0.435 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 177.2 | -179.3 | 65.5 | 0 | 0 | 0 | 110.8 | R243 L244 D245 Q250 M251 | R243-L247 WeakPolarHBondContact O-CB 3.31Å; R243-L247 PolarHBondContact O-N 3.27Å; L244-L247 PolarHBondContact O-N 3.24Å; D245-L247 VanDerWaalsContact C-N 3.33Å; D245-L247 PolarHBondContact O-N 3.41Å; L247-Q250 PolarHBondContact O-N 3.17Å; L247-M251 HydrophobicContact CG-SD 4.3Å; L247-M251 VanDerWaalsContact O-CG 3.3Å; L247-M251 WeakPolarHBondContact O-CG 3.12Å; L247-M251 PolarHBondContact O-N 2.93Å |
| 248 | A | 96.7 | Very high | 94.9 | Very high | 56 Ų | 56 | 109 Ų | 109 | 46% | 0.463 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L244 D245 M251 Y252 | L244-A248 WeakPolarHBondContact O-CB 3.08Å; L244-A248 PolarHBondContact O-N 3.49Å; D245-A248 WeakPolarHBondContact O-CB 3.34Å; D245-A248 PolarHBondContact O-N 2.85Å; D245-A248 VanDerWaalsContact O-N 3.15Å; A248-M251 PolarHBondContact O-N 3.44Å; A248-Y252 WeakPolarHBondContact O-CB 3.29Å; A248-Y252 PolarHBondContact O-N 2.87Å |
| 249 | T | 96.7 | Very high | 94.7 | Very high | 68 Ų | 68 | 106.3 Ų | 106.3 | 42% | 0.417 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 174.1 | -46.8 | 0 | 0 | 0 | 0 | 111.4 | D245 K246 M251 Y252 D253 | D245-T249 PolarHBondContact O-N 2.78Å; D245-T249 PolarHBondContact O-OG1 3.05Å; K246-T249 PolarHBondContact O-N 3.27Å; T249-M251 VanDerWaalsContact C-N 3.33Å; T249-M251 PolarHBondContact O-N 2.76Å; T249-Y252 WeakPolarHBondContact O-CB 3.4Å; T249-Y252 PolarHBondContact O-N 3.32Å; T249-Y252 VanDerWaalsContact O-N 3.15Å; T249-D253 VanDerWaalsContact O-CG 3.29Å; T249-D253 PolarHBondContact O-N 2.87Å |
| 250 | Q | 95.9 | Very high | 94.5 | Very high | 121 Ų | 121 | 104.8 Ų | 104.8 | 57% | 0.565 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.2 | -41.4 | 177.5 | -76 | 175.6 | -21.1 | 0 | 0 | 112.6 | K246 L247 D253 T254 | K246-Q250 WeakPolarHBondContact O-CB 3.32Å; K246-Q250 VanDerWaalsContact O-CG 3.25Å; K246-Q250 WeakPolarHBondContact O-CG 3.36Å; K246-Q250 PolarHBondContact O-N 2.98Å; L247-Q250 PolarHBondContact O-N 3.17Å; Q250-D253 PolarHBondContact O-N 3.39Å; Q250-T254 WeakPolarHBondContact O-CB 3.32Å; Q250-T254 PolarHBondContact O-N 2.8Å; Q250-T254 PolarHBondContact O-OG1 2.97Å |
| 251 | M | 95.2 | Very high | 94.3 | Very high | 95 Ų | 95 | 108.6 Ų | 108.6 | 47% | 0.468 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 175.3 | -72 | 177.4 | 73.3 | 0 | 0 | 111.2 | L247 A248 T249 T254 F255 | L247-M251 HydrophobicContact CG-SD 4.3Å; L247-M251 VanDerWaalsContact O-CG 3.3Å; L247-M251 WeakPolarHBondContact O-CG 3.12Å; L247-M251 PolarHBondContact O-N 2.93Å; A248-M251 PolarHBondContact O-N 3.44Å; T249-M251 VanDerWaalsContact C-N 3.33Å; T249-M251 PolarHBondContact O-N 2.76Å; M251-T254 WeakPolarHBondContact O-CB 3.31Å; M251-T254 PolarHBondContact O-N 2.75Å; M251-F255 HydrophobicContact CB-CE2 4.39Å; M251-F255 HydrophobicContact CE-CE2 4.42Å; M251-F255 WeakPolarHBondContact O-CD2 3.31Å; M251-F255 WeakPolarHBondContact O-CG 3.36Å; M251-F255 PolarHBondContact O-N 3.37Å |
| 252 | Y | 95.9 | Very high | 94 | Very high | 174 Ų | 174 | 109.7 Ų | 109.7 | 68% | 0.682 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.6 | -45.2 | 177.2 | -173.5 | -95 | 0 | 0 | 0 | 112 | A248 T249 T254 F255 A256 | A248-Y252 WeakPolarHBondContact O-CB 3.29Å; A248-Y252 PolarHBondContact O-N 2.87Å; T249-Y252 WeakPolarHBondContact O-CB 3.4Å; T249-Y252 PolarHBondContact O-N 3.32Å; T249-Y252 VanDerWaalsContact O-N 3.15Å; Y252-T254 VanDerWaalsContact C-N 3.3Å; Y252-T254 PolarHBondContact O-N 3.18Å; Y252-F255 PolarHBondContact O-N 3.05Å; Y252-A256 PolarHBondContact O-N 3.23Å |
| 253 | D | 95.4 | Very high | 93.5 | Very high | 97 Ų | 97 | 112 Ų | 112 | 52% | 0.519 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.8 | -39.1 | 175.9 | -65.5 | -22.1 | 0 | 0 | 0 | 111.3 | T249 Q250 A256 E257 | T249-D253 VanDerWaalsContact O-CG 3.29Å; T249-D253 PolarHBondContact O-N 2.87Å; Q250-D253 PolarHBondContact O-N 3.39Å; D253-A256 PolarHBondContact O-N 3.21Å; D253-E257 PolarHBondContact O-N 3.39Å |
| 254 | T | 94.5 | Very high | 93.1 | Very high | 73 Ų | 73 | 110.4 Ų | 110.4 | 45% | 0.448 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.4 | -41.4 | 176.5 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | Q250 M251 Y252 A256 E257 M258 | Q250-T254 WeakPolarHBondContact O-CB 3.32Å; Q250-T254 PolarHBondContact O-N 2.8Å; Q250-T254 PolarHBondContact O-OG1 2.97Å; M251-T254 WeakPolarHBondContact O-CB 3.31Å; M251-T254 PolarHBondContact O-N 2.75Å; Y252-T254 VanDerWaalsContact C-N 3.3Å; Y252-T254 PolarHBondContact O-N 3.18Å; T254-A256 VanDerWaalsContact C-N 3.31Å; T254-A256 PolarHBondContact O-N 3.2Å; T254-E257 PolarHBondContact O-N 3.05Å; T254-M258 HydrophobicContact CG2-CE 4.43Å; T254-M258 PolarHBondContact O-N 3.35Å |
| 255 | F | 93.4 | Very high | 92.5 | Very high | 118 Ų | 118 | 112.4 Ų | 112.4 | 52% | 0.518 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.9 | -32.1 | 175.2 | -70.8 | -51.6 | 0 | 0 | 0 | 112.4 | M251 Y252 E257 M258 | M251-F255 HydrophobicContact CB-CE2 4.39Å; M251-F255 HydrophobicContact CE-CE2 4.42Å; M251-F255 WeakPolarHBondContact O-CD2 3.31Å; M251-F255 WeakPolarHBondContact O-CG 3.36Å; M251-F255 PolarHBondContact O-N 3.37Å; Y252-F255 PolarHBondContact O-N 3.05Å; F255-E257 VanDerWaalsContact C-N 3.26Å; F255-E257 PolarHBondContact O-N 2.9Å; F255-M258 HydrophobicContact CD1-CE 4.3Å; F255-M258 HydrophobicContact CD1-SD 3.93Å; F255-M258 HydrophobicContact CE1-CE 4.48Å; F255-M258 HydrophobicContact CE1-SD 4.43Å; F255-M258 PolarHBondContact O-N 3.02Å |
| 256 | A | 93.2 | Very high | 92.1 | Very high | 64 Ų | 64 | 115.1 Ų | 115.1 | 53% | 0.529 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.2 | -25.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y252 D253 T254 | Y252-A256 PolarHBondContact O-N 3.23Å; D253-A256 PolarHBondContact O-N 3.21Å; T254-A256 VanDerWaalsContact C-N 3.31Å; T254-A256 PolarHBondContact O-N 3.2Å |
| 257 | E | 93.1 | Very high | 91.6 | Very high | 141 Ų | 141 | 113.2 Ų | 113.2 | 66% | 0.659 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -77.5 | -20.1 | 173.9 | -162.9 | -178.2 | 164.7 | 0 | 0 | 112.8 | D253 T254 F255 K259 | D253-E257 PolarHBondContact O-N 3.39Å; T254-E257 PolarHBondContact O-N 3.05Å; F255-E257 VanDerWaalsContact C-N 3.26Å; F255-E257 PolarHBondContact O-N 2.9Å; E257-K259 PolarHBondContact O-N 3.11Å |
| 258 | M | 89.5 | Confident | 91.1 | Very high | 116 Ų | 116 | 113.9 Ų | 113.9 | 57% | 0.571 | 61% | 0.612 | S | S | * | * | trans | -75 | 74.4 | 175.3 | -64.6 | -175.6 | -176.8 | 0 | 0 | 111.1 | T254 F255 | T254-M258 HydrophobicContact CG2-CE 4.43Å; T254-M258 PolarHBondContact O-N 3.35Å; F255-M258 HydrophobicContact CD1-CE 4.3Å; F255-M258 HydrophobicContact CD1-SD 3.93Å; F255-M258 HydrophobicContact CE1-CE 4.48Å; F255-M258 HydrophobicContact CE1-SD 4.43Å; F255-M258 PolarHBondContact O-N 3.02Å | ||
| 259 | K | 90.3 | Very high | 90.7 | Very high | 135 Ų | 135 | 118.9 Ų | 118.9 | 59% | 0.587 | 63% | 0.625 | S | S | * | * | trans | -129.6 | 149.9 | 174.6 | 67.5 | -172 | -170.7 | 176.7 | 0 | 110.4 | E257 E261 | E257-K259 PolarHBondContact O-N 3.11Å; K259-E261 WeakPolarHBondContact CE-OE1 3.24Å; K259-E261 IonicContact NZ-OE1 3.37Å; K259-E261 PolarHBondContact NZ-OE1 3.13Å; K259-E261 PolarHBondContact O-N 2.91Å | ||
| 260 | V | 90.4 | Very high | 90.3 | Very high | 142 Ų | 142 | 124.6 Ų | 124.6 | 86% | 0.861 | 65% | 0.645 | S | S | * | * | trans | -78.8 | 111.9 | 173.6 | 180 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 261 | E | 88.1 | Confident | 89.3 | Confident | 121 Ų | 121 | 130 Ų | 130 | 57% | 0.565 | 68% | 0.678 | S | S | * | * | trans | -71.1 | 122.2 | 172.9 | -69.3 | -66.9 | 167.6 | 0 | 0 | 109.2 | K259 V263 | K259-E261 WeakPolarHBondContact CE-OE1 3.24Å; K259-E261 IonicContact NZ-OE1 3.37Å; K259-E261 PolarHBondContact NZ-OE1 3.13Å; K259-E261 PolarHBondContact O-N 2.91Å; E261-V263 PolarHBondContact O-N 3.45Å; E261-V263 VanDerWaalsContact O-N 3.08Å | ||
| 262 | P | 87.7 | Confident | 89 | Confident | 114 Ų | 114 | 131.8 Ų | 131.8 | 74% | 0.74 | 69% | 0.688 | S | S | * | * | trans | -71.8 | 105.9 | 179.4 | 28.8 | -32.4 | 0 | 0 | 0 | 109.5 | ||||
| 263 | V | 86.7 | Confident | 88.6 | Confident | 127 Ų | 127 | 129.6 Ų | 129.6 | 77% | 0.77 | 69% | 0.689 | S | S | * | * | trans | -77.1 | -42.3 | 176.5 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | E261 | E261-V263 PolarHBondContact O-N 3.45Å; E261-V263 VanDerWaalsContact O-N 3.08Å | ||
| 264 | D | 87.6 | Confident | 88.3 | Confident | 122 Ų | 122 | 131.4 Ų | 131.4 | 65% | 0.652 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -132.4 | 155.5 | -175.4 | -68.7 | -51.5 | 0 | 0 | 0 | 111.6 | L266 | D264-L266 PolarHBondContact O-N 2.68Š|
| 265 | N | 82.9 | Confident | 87.9 | Confident | 148 Ų | 148 | 134.8 Ų | 134.8 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | trans | -71.5 | 97.6 | 169.8 | -119.7 | -38.3 | 0 | 0 | 0 | 108.7 | V267 | N265-V267 PolarHBondContact O-N 3.41Š| ||
| 266 | L | 86.9 | Confident | 87.5 | Confident | 165 Ų | 165 | 135.9 Ų | 135.9 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | trans | -68.4 | -12.5 | -178.8 | -61.7 | 179.1 | 0 | 0 | 0 | 113.5 | D264 | D264-L266 PolarHBondContact O-N 2.68Š| ||
| 267 | V | 88.3 | Confident | 87.2 | Confident | 97 Ų | 97 | 140.7 Ų | 140.7 | 59% | 0.588 | 74% | 0.738 | S | S | * | * | trans | -114.8 | 107.8 | 179.5 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | N265 | N265-V267 PolarHBondContact O-N 3.41Š| ||
| 268 | V | 85.6 | Confident | 86.7 | Confident | 97 Ų | 97 | 140.6 Ų | 140.6 | 59% | 0.588 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -95 | 121.7 | 170.9 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | F270 | V268-F270 HydrophobicContact CB-CZ 4.41Å; V268-F270 HydrophobicContact CG1-CE1 4.14Å; V268-F270 HydrophobicContact CG1-CZ 4.19Å |
| 269 | H | 88.3 | Confident | 86.5 | Confident | 161 Ų | 161 | 142.5 Ų | 142.5 | 75% | 0.745 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 121.9 | 171.4 | -66.6 | 76.9 | 0 | 0 | 0 | 108.7 | ||
| 270 | F | 86.7 | Confident | 86.2 | Confident | 188 Ų | 188 | 143.2 Ų | 143.2 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 117.8 | 172 | -59.3 | -78.6 | 0 | 0 | 0 | 108.6 | V268 | V268-F270 HydrophobicContact CB-CZ 4.41Å; V268-F270 HydrophobicContact CG1-CE1 4.14Å; V268-F270 HydrophobicContact CG1-CZ 4.19Å |
| 271 | N | 75.5 | Confident | 85.8 | Confident | 236 Ų | 236 | 143.3 Ų | 143.3 | 100% | 1.262 | 76% | 0.763 | S | S | * | * | trans | -94.3 | 0 | 166.2 | -81.4 | -16.2 | 0 | 0 | 0 | 110.1 |
Retrieved 271 of 271 residues in 392.8 ms
(Link to these results)