| 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 | 25.5 | Very low | 35 | Very low | 245 Ų | 245 | 162.8 Ų | 162.8 | 100% | 1.207 | 78% | 0.78 | S | S | * | * | 0 | 155.8 | 0 | -78.2 | -173.2 | 169 | 0 | 0 | 108.7 | |||||
| 2 | E | 26.9 | Very low | 35.8 | Very low | 171 Ų | 171 | 156.7 Ų | 156.7 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | trans | -107.5 | 161.1 | -146.2 | -66.2 | 153.2 | 92.8 | 0 | 0 | 116 | ||||
| 3 | Q | 26.3 | Very low | 35.9 | Very low | 167 Ų | 167 | 148.1 Ų | 148.1 | 78% | 0.78 | 73% | 0.73 | S | S | * | * | trans | 61.9 | 123.7 | 159 | -68.9 | 176.5 | 32.4 | 0 | 0 | 119.1 | ||||
| 4 | P | 32 | Very low | 36.6 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | trans | -74 | 134.6 | 173.6 | 31.6 | -33.8 | 0 | 0 | 0 | 111.1 | K6 | P4-K6 PolarHBondContact O-N 3.08Š| ||
| 5 | R | 31.8 | Very low | 37.2 | Very low | 248 Ų | 248 | 150.1 Ų | 150.1 | 94% | 0.936 | 74% | 0.74 | S | S | * | * | trans | -75.8 | 107 | 176.8 | -67.6 | -176.3 | 178.2 | -174.1 | -0.8 | 110.3 | ||||
| 6 | K | 36.3 | Very low | 37.3 | Very low | 173 Ų | 173 | 142 Ų | 142 | 75% | 0.752 | 71% | 0.706 | S | S | * | * | trans | -55.5 | 139.8 | 176 | -68.8 | -171.1 | 171.6 | -167.7 | 0 | 111.6 | P4 T8 | P4-K6 PolarHBondContact O-N 3.08Å; K6-T8 PolarHBondContact O-N 3.45Å | ||
| 7 | T | 39 | Very low | 37.9 | Very low | 130 Ų | 130 | 143.6 Ų | 143.6 | 80% | 0.798 | 70% | 0.704 | S | S | * | * | trans | -78.3 | 99.9 | -165.2 | 50.8 | 0 | 0 | 0 | 0 | 113.4 | K9 | T7-K9 PolarHBondContact O-N 3.31Š| ||
| 8 | T | 43.2 | Very low | 37.9 | Very low | 139 Ų | 139 | 143.1 Ų | 143.1 | 85% | 0.853 | 70% | 0.699 | S | S | * | * | trans | -77.7 | 103 | 173.3 | 53 | 0 | 0 | 0 | 0 | 111.5 | K6 | K6-T8 PolarHBondContact O-N 3.45Š| ||
| 9 | K | 37.5 | Very low | 38.4 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 62% | 0.617 | 70% | 0.697 | S | S | * | * | trans | -61.4 | 136.2 | 169.7 | -67.4 | 177.3 | 178.7 | 175.3 | 0 | 110.3 | T7 | T7-K9 PolarHBondContact O-N 3.31Š| ||
| 10 | C | 41.7 | Very low | 38.8 | Very low | 19 Ų | 19 | 140.2 Ų | 140.2 | 13% | 0.128 | 69% | 0.689 | C | S | . | * | trans | -86.8 | 118 | 179.1 | 148 | 0 | 0 | 0 | 0 | 110.4 | C12 C13 G16 H18 | C10-C12 WeakPolarHBondContact CB-SG 3.46Å; C10-C12 PolarHBondContact O-N 3.21Å; C10-C12 VanDerWaalsContact O-N 3.11Å; C10-C12 WeakPolarHBondContact SG-CA 3.36Å; C10-C12 WeakPolarHBondContact SG-CB 3.22Å; C10-C12 PolarHBondContact SG-N 3.17Å; C10-C12 CovalentContact SG-SG 2.04Å; C10-C12 PolarHBondContact SG-SG 3.16Å; C10-C13 PolarHBondContact SG-N 3.38Å; C10-C13 VanDerWaalsContact SG-N 3.45Å; C10-G16 PolarHBondContact N-O 2.69Å; C10-H18 VanDerWaalsContact SG-CE1 3.58Å; C10-H18 PolarHBondContact SG-NE2 3.18Å | ||
| 11 | Y | 44.8 | Very low | 39.1 | Very low | 236 Ų | 236 | 139.6 Ų | 139.6 | 93% | 0.925 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 8.4 | 172.5 | -61.9 | -77.5 | 0 | 0 | 0 | 113.7 | ||
| 12 | C | 44.9 | Very low | 40.1 | Very low | 89 Ų | 89 | 132.4 Ų | 132.4 | 60% | 0.601 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | -11.9 | -171.9 | 23.5 | 0 | 0 | 0 | 0 | 113.6 | C10 | C10-C12 WeakPolarHBondContact CB-SG 3.46Å; C10-C12 PolarHBondContact O-N 3.21Å; C10-C12 VanDerWaalsContact O-N 3.11Å; C10-C12 WeakPolarHBondContact SG-CA 3.36Å; C10-C12 WeakPolarHBondContact SG-CB 3.22Å; C10-C12 PolarHBondContact SG-N 3.17Å; C10-C12 CovalentContact SG-SG 2.04Å; C10-C12 PolarHBondContact SG-SG 3.16Å |
| 13 | C | 36.8 | Very low | 41 | Very low | 45 Ų | 45 | 130.4 Ų | 130.4 | 30% | 0.304 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -129.2 | 139.3 | 174 | -70.3 | 0 | 0 | 0 | 0 | 109.7 | C10 Y15 G16 | C10-C13 PolarHBondContact SG-N 3.38Å; C10-C13 VanDerWaalsContact SG-N 3.45Å; C13-Y15 PolarHBondContact O-N 3.09Å; C13-G16 PolarHBondContact O-N 3.13Å |
| 14 | P | 46.4 | Very low | 42 | Very low | 127 Ų | 127 | 124.1 Ų | 124.1 | 83% | 0.825 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -13.4 | -174.5 | 25.8 | -35.1 | 0 | 0 | 0 | 114.3 | ||
| 15 | Y | 44.2 | Very low | 42.6 | Very low | 200 Ų | 200 | 123.6 Ų | 123.6 | 78% | 0.784 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 8.6 | 175.4 | -59.4 | -69.9 | 0 | 0 | 0 | 113.6 | C13 Y17 | C13-Y15 PolarHBondContact O-N 3.09Å; Y15-Y17 WeakPolarHBondContact O-CD2 3.42Å; Y15-Y17 WeakPolarHBondContact O-CE2 3.36Å; Y15-Y17 PolarHBondContact O-N 2.71Å; Y15-Y17 VanDerWaalsContact O-N 3.07Å |
| 16 | G | 40.2 | Very low | 43.5 | Very low | 20 Ų | 20 | 115.6 Ų | 115.6 | 21% | 0.206 | 57% | 0.572 | C | S | . | * | S | Bend | trans | 75.7 | -12.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 117 | C10 C13 | C10-G16 PolarHBondContact N-O 2.69Å; C13-G16 PolarHBondContact O-N 3.13Å |
| 17 | Y | 46.8 | Very low | 43.8 | Very low | 169 Ų | 169 | 109.4 Ų | 109.4 | 66% | 0.663 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -116.3 | 140.1 | -179.7 | -50.2 | -72.1 | 0 | 0 | 0 | 111.3 | Y15 | Y15-Y17 WeakPolarHBondContact O-CD2 3.42Å; Y15-Y17 WeakPolarHBondContact O-CE2 3.36Å; Y15-Y17 PolarHBondContact O-N 2.71Å; Y15-Y17 VanDerWaalsContact O-N 3.07Å |
| 18 | H | 38.4 | Very low | 44.2 | Very low | 134 Ų | 134 | 108 Ų | 108 | 62% | 0.62 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -78.4 | 124.3 | 159.6 | -75.6 | -66.2 | 0 | 0 | 0 | 108.5 | C10 | C10-H18 VanDerWaalsContact SG-CE1 3.58Å; C10-H18 PolarHBondContact SG-NE2 3.18Å |
| 19 | I | 47.9 | Very low | 44.5 | Very low | 128 Ų | 128 | 106.2 Ų | 106.2 | 66% | 0.656 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 127.7 | 159.4 | -59.9 | 175.4 | 0 | 0 | 0 | 106.2 | L21 F23 V24 | I19-L21 PolarHBondContact O-N 3.21Å; I19-F23 HydrophobicContact CG2-CD1 3.91Å; I19-V24 HydrophobicContact CG2-CG2 4.13Å |
| 20 | D | 45.4 | Very low | 44.8 | Very low | 101 Ų | 101 | 102.7 Ų | 102.7 | 54% | 0.54 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 134.7 | -179.3 | -158.5 | -38.4 | 0 | 0 | 0 | 110.7 | D22 F23 V24 | D20-D22 PolarHBondContact O-N 3.28Å; D20-D22 PolarHBondContact OD1-N 2.86Å; D20-F23 HydrophobicContact CB-CB 4.1Å; D20-F23 WeakPolarHBondContact O-CB 3.39Å; D20-F23 PolarHBondContact O-N 3.09Å; D20-F23 VanDerWaalsContact O-N 3.08Å; D20-V24 PolarHBondContact O-N 2.8Å; D20-V24 VanDerWaalsContact O-N 3.1Å |
| 21 | L | 45 | Very low | 44.8 | Very low | 127 Ų | 127 | 108 Ų | 108 | 67% | 0.665 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.3 | -28.5 | 173.9 | -90.4 | 164.9 | 0 | 0 | 0 | 111.3 | I19 V24 K25 | I19-L21 PolarHBondContact O-N 3.21Å; L21-V24 PolarHBondContact O-N 2.79Å; L21-K25 WeakPolarHBondContact O-CG 3.29Å; L21-K25 PolarHBondContact O-N 2.92Å |
| 22 | D | 45.8 | Very low | 44.6 | Very low | 95 Ų | 95 | 99.6 Ų | 99.6 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -77.4 | -24.6 | 175.5 | -68.4 | -18 | 0 | 0 | 0 | 112.3 | D20 K25 Y26 | D20-D22 PolarHBondContact O-N 3.28Å; D20-D22 PolarHBondContact OD1-N 2.86Å; D22-K25 WeakPolarHBondContact OD1-CD 3.34Å; D22-K25 WeakPolarHBondContact OD1-CE 3.11Å; D22-K25 IonicContact OD1-NZ 2.75Å; D22-K25 PolarHBondContact OD1-NZ 3.21Å; D22-Y26 VanDerWaalsContact O-CB 3.23Å; D22-Y26 WeakPolarHBondContact O-CB 3.41Å; D22-Y26 PolarHBondContact O-N 2.74Å |
| 23 | F | 46.7 | Very low | 44.1 | Very low | 129 Ų | 129 | 100.1 Ų | 100.1 | 57% | 0.566 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.5 | -37.3 | 166.4 | -177.8 | -99.1 | 0 | 0 | 0 | 111.7 | I19 D20 Y26 A27 | I19-F23 HydrophobicContact CG2-CD1 3.91Å; D20-F23 HydrophobicContact CB-CB 4.1Å; D20-F23 WeakPolarHBondContact O-CB 3.39Å; D20-F23 PolarHBondContact O-N 3.09Å; D20-F23 VanDerWaalsContact O-N 3.08Å; F23-Y26 PolarHBondContact O-N 2.88Å; F23-A27 PolarHBondContact O-N 3.5Å |
| 24 | V | 46.4 | Very low | 43.7 | Very low | 35 Ų | 35 | 103.4 Ų | 103.4 | 21% | 0.212 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -64 | -47.1 | 173.1 | 177 | 0 | 0 | 0 | 0 | 110.8 | I19 D20 L21 Y26 A27 E28 | I19-V24 HydrophobicContact CG2-CG2 4.13Å; D20-V24 PolarHBondContact O-N 2.8Å; D20-V24 VanDerWaalsContact O-N 3.1Å; L21-V24 PolarHBondContact O-N 2.79Å; V24-Y26 VanDerWaalsContact C-N 3.3Å; V24-Y26 PolarHBondContact O-N 2.95Å; V24-A27 PolarHBondContact O-N 3.48Å; V24-E28 WeakPolarHBondContact CG1-OE1 3.35Å; V24-E28 WeakPolarHBondContact O-CB 3.35Å; V24-E28 WeakPolarHBondContact O-CG 3.28Å; V24-E28 PolarHBondContact O-N 2.8Å |
| 25 | K | 45.4 | Very low | 42.7 | Very low | 110 Ų | 110 | 106.4 Ų | 106.4 | 48% | 0.478 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.3 | -36.4 | 173.5 | -67.9 | 172.2 | -158.4 | 159.1 | 0 | 112.5 | L21 D22 E28 N29 | L21-K25 WeakPolarHBondContact O-CG 3.29Å; L21-K25 PolarHBondContact O-N 2.92Å; D22-K25 WeakPolarHBondContact OD1-CD 3.34Å; D22-K25 WeakPolarHBondContact OD1-CE 3.11Å; D22-K25 IonicContact OD1-NZ 2.75Å; D22-K25 PolarHBondContact OD1-NZ 3.21Å; K25-E28 PolarHBondContact O-N 3.09Å; K25-N29 VanDerWaalsContact O-CB 3.24Å; K25-N29 WeakPolarHBondContact O-CB 3.32Å; K25-N29 VanDerWaalsContact O-CG 3.26Å; K25-N29 PolarHBondContact O-N 2.86Å |
| 26 | Y | 51 | Low | 41.9 | Very low | 80 Ų | 80 | 104.5 Ų | 104.5 | 31% | 0.314 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.5 | -46.5 | 176.9 | 177.7 | -103.2 | 0 | 0 | 0 | 111.6 | D22 F23 V24 E28 N29 N30 | D22-Y26 VanDerWaalsContact O-CB 3.23Å; D22-Y26 WeakPolarHBondContact O-CB 3.41Å; D22-Y26 PolarHBondContact O-N 2.74Å; F23-Y26 PolarHBondContact O-N 2.88Å; V24-Y26 VanDerWaalsContact C-N 3.3Å; V24-Y26 PolarHBondContact O-N 2.95Å; Y26-E28 VanDerWaalsContact C-N 3.33Å; Y26-E28 PolarHBondContact O-N 3.15Å; Y26-N29 PolarHBondContact O-N 2.86Å; Y26-N30 WeakPolarHBondContact CE1-ND2 3.46Å; Y26-N30 PolarHBondContact O-N 3.44Å; Y26-N30 PolarHBondContact OH-ND2 3.49Å; Y26-N30 VanDerWaalsContact OH-ND2 3.16Å |
| 27 | A | 42.7 | Very low | 41.1 | Very low | 42 Ų | 42 | 114.5 Ų | 114.5 | 35% | 0.347 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.8 | -37.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F23 V24 N31 | F23-A27 PolarHBondContact O-N 3.5Å; V24-A27 PolarHBondContact O-N 3.48Å; A27-N31 PolarHBondContact O-N 3.01Å; A27-N31 PolarHBondContact O-ND2 2.81Å |
| 28 | E | 47.5 | Very low | 40 | Very low | 102 Ų | 102 | 111.2 Ų | 111.2 | 48% | 0.477 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.5 | -35.7 | 175.3 | -72.9 | 169.9 | -171.5 | 0 | 0 | 111.9 | V24 K25 Y26 S32 R346 | V24-E28 WeakPolarHBondContact CG1-OE1 3.35Å; V24-E28 WeakPolarHBondContact O-CB 3.35Å; V24-E28 WeakPolarHBondContact O-CG 3.28Å; V24-E28 PolarHBondContact O-N 2.8Å; K25-E28 PolarHBondContact O-N 3.09Å; Y26-E28 VanDerWaalsContact C-N 3.33Å; Y26-E28 PolarHBondContact O-N 3.15Å; E28-S32 PolarHBondContact O-N 2.72Å; E28-R346 IonicContact OE1-NH2 3.61Å; E28-R346 PolarHBondContact OE1-NH2 2.71Å |
| 29 | N | 49.6 | Very low | 39.4 | Very low | 101 Ų | 101 | 110.8 Ų | 110.8 | 54% | 0.54 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.3 | -43 | 174.1 | -81 | -7.5 | 0 | 0 | 0 | 112.5 | K25 Y26 N31 S32 T33 | K25-N29 VanDerWaalsContact O-CB 3.24Å; K25-N29 WeakPolarHBondContact O-CB 3.32Å; K25-N29 VanDerWaalsContact O-CG 3.26Å; K25-N29 PolarHBondContact O-N 2.86Å; Y26-N29 PolarHBondContact O-N 2.86Å; N29-N31 VanDerWaalsContact C-N 3.3Å; N29-N31 PolarHBondContact O-N 2.8Å; N29-S32 CarbonylContact O-C 3.57Å; N29-S32 WeakPolarHBondContact O-CA 3.27Å; N29-S32 VanDerWaalsContact O-CB 3.3Å; N29-S32 WeakPolarHBondContact O-CB 3.45Å; N29-S32 PolarHBondContact O-N 2.74Å; N29-S32 PolarHBondContact O-OG 3.44Å; N29-T33 PolarHBondContact O-N 3.35Å; N29-T33 PolarHBondContact O-OG1 3.4Å |
| 30 | N | 42.7 | Very low | 38.4 | Very low | 68 Ų | 68 | 111 Ų | 111 | 36% | 0.364 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63 | -36.9 | 175.8 | -76.8 | 6.5 | 0 | 0 | 0 | 111.7 | Y26 S32 T33 | Y26-N30 WeakPolarHBondContact CE1-ND2 3.46Å; Y26-N30 PolarHBondContact O-N 3.44Å; Y26-N30 PolarHBondContact OH-ND2 3.49Å; Y26-N30 VanDerWaalsContact OH-ND2 3.16Å; N30-S32 VanDerWaalsContact C-N 3.27Å; N30-S32 PolarHBondContact O-N 3.32Å; N30-T33 WeakPolarHBondContact CA-OG1 3.42Å; N30-T33 PolarHBondContact O-N 3.1Å; N30-T33 PolarHBondContact O-OG1 3.25Å |
| 31 | N | 42.6 | Very low | 37.5 | Very low | 130 Ų | 130 | 114.4 Ų | 114.4 | 70% | 0.695 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.6 | -21.9 | 169.5 | -85.4 | -38.3 | 0 | 0 | 0 | 113.2 | A27 N29 | A27-N31 PolarHBondContact O-N 3.01Å; A27-N31 PolarHBondContact O-ND2 2.81Å; N29-N31 VanDerWaalsContact C-N 3.3Å; N29-N31 PolarHBondContact O-N 2.8Å |
| 32 | S | 40.4 | Very low | 36.5 | Very low | 60 Ų | 60 | 118.5 Ų | 118.5 | 42% | 0.42 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -78.6 | -30 | 174.6 | 87.8 | 0 | 0 | 0 | 0 | 113.3 | E28 N29 N30 C34 R35 | E28-S32 PolarHBondContact O-N 2.72Å; N29-S32 CarbonylContact O-C 3.57Å; N29-S32 WeakPolarHBondContact O-CA 3.27Å; N29-S32 VanDerWaalsContact O-CB 3.3Å; N29-S32 WeakPolarHBondContact O-CB 3.45Å; N29-S32 PolarHBondContact O-N 2.74Å; N29-S32 PolarHBondContact O-OG 3.44Å; N30-S32 VanDerWaalsContact C-N 3.27Å; N30-S32 PolarHBondContact O-N 3.32Å; S32-C34 PolarHBondContact O-N 2.83Å; S32-C34 VanDerWaalsContact O-N 3.14Å; S32-R35 WeakPolarHBondContact O-CB 3.49Å; S32-R35 PolarHBondContact O-N 3.16Å |
| 33 | T | 34.9 | Very low | 35.5 | Very low | 100 Ų | 100 | 122.4 Ų | 122.4 | 61% | 0.613 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -13 | 179 | 29.1 | 0 | 0 | 0 | 0 | 114.2 | N29 N30 R35 | N29-T33 PolarHBondContact O-N 3.35Å; N29-T33 PolarHBondContact O-OG1 3.4Å; N30-T33 WeakPolarHBondContact CA-OG1 3.42Å; N30-T33 PolarHBondContact O-N 3.1Å; N30-T33 PolarHBondContact O-OG1 3.25Å; T33-R35 PolarHBondContact O-N 2.78Å; T33-R35 VanDerWaalsContact O-N 3.09Å |
| 34 | C | 27.7 | Very low | 34.7 | Very low | 113 Ų | 113 | 121.6 Ų | 121.6 | 76% | 0.764 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 8.5 | 165.8 | -72 | 0 | 0 | 0 | 0 | 114.3 | S32 | S32-C34 PolarHBondContact O-N 2.83Å; S32-C34 VanDerWaalsContact O-N 3.14Å |
| 35 | R | 25.7 | Very low | 33.7 | Very low | 191 Ų | 191 | 127.9 Ų | 127.9 | 72% | 0.721 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -99.5 | 79.6 | 174.8 | -70.1 | -169.2 | 171.4 | -173 | -1.1 | 113.7 | S32 T33 | S32-R35 WeakPolarHBondContact O-CB 3.49Å; S32-R35 PolarHBondContact O-N 3.16Å; T33-R35 PolarHBondContact O-N 2.78Å; T33-R35 VanDerWaalsContact O-N 3.09Å |
| 36 | L | 26.8 | Very low | 32.7 | Very low | 159 Ų | 159 | 127.7 Ų | 127.7 | 83% | 0.832 | 67% | 0.668 | S | S | * | * | trans | 66 | 90.7 | 147.2 | -58 | 169.9 | 0 | 0 | 0 | 117.5 | S38 | L36-S38 PolarHBondContact O-N 2.84Š| ||
| 37 | Y | 23.8 | Very low | 31.4 | Very low | 231 Ų | 231 | 131.1 Ų | 131.1 | 91% | 0.906 | 69% | 0.691 | S | S | * | * | trans | -60.4 | 99.4 | 154.6 | -79 | -93.8 | 0 | 0 | 0 | 110.6 | ||||
| 38 | S | 23.8 | Very low | 30.7 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 70% | 0.699 | 72% | 0.718 | S | S | * | * | trans | -111.3 | 100 | 171.4 | -170.5 | 0 | 0 | 0 | 0 | 109.9 | L36 N40 | L36-S38 PolarHBondContact O-N 2.84Å; S38-N40 PolarHBondContact O-N 2.91Å | ||
| 39 | T | 25.8 | Very low | 29.7 | Very low | 124 Ų | 124 | 141.7 Ų | 141.7 | 76% | 0.761 | 73% | 0.733 | S | S | * | * | trans | -71 | 104.1 | -165.7 | 52 | 0 | 0 | 0 | 0 | 113.4 | L41 | T39-L41 VanDerWaalsContact C-N 3.35Å; T39-L41 PolarHBondContact O-N 3.24Å; T39-L41 VanDerWaalsContact O-N 3.14Å | ||
| 40 | N | 25.7 | Very low | 28.5 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 72% | 0.717 | 74% | 0.737 | S | S | * | * | trans | -86 | 62.7 | 175.6 | -89.6 | -71.8 | 0 | 0 | 0 | 113.5 | S38 R42 | S38-N40 PolarHBondContact O-N 2.91Å; N40-R42 VanDerWaalsContact C-N 3.25Å; N40-R42 PolarHBondContact O-N 2.59Å | ||
| 41 | L | 27 | Very low | 27.6 | Very low | 172 Ų | 172 | 148.4 Ų | 148.4 | 90% | 0.901 | 76% | 0.762 | S | S | * | * | trans | -81.5 | 70.1 | 165.1 | -80.8 | 172 | 0 | 0 | 0 | 111.1 | T39 | T39-L41 VanDerWaalsContact C-N 3.35Å; T39-L41 PolarHBondContact O-N 3.24Å; T39-L41 VanDerWaalsContact O-N 3.14Å | ||
| 42 | R | 24 | Very low | 27 | Very low | 213 Ų | 213 | 154.8 Ų | 154.8 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -91.4 | 100.7 | 169.4 | -81.2 | -171.1 | 173 | -167.7 | 0.1 | 110.9 | N40 P44 | N40-R42 VanDerWaalsContact C-N 3.25Å; N40-R42 PolarHBondContact O-N 2.59Å; R42-P44 WeakPolarHBondContact O-CD 3.27Å | ||
| 43 | H | 25.6 | Very low | 26.2 | Very low | 177 Ų | 177 | 163.6 Ų | 163.6 | 82% | 0.819 | 80% | 0.8 | S | S | * | * | trans | -78.1 | 123.1 | 167 | -148.3 | -72 | 0 | 0 | 0 | 110 | L45 | H43-L45 PolarHBondContact O-N 2.86Š| ||
| 44 | P | 28.9 | Very low | 25.6 | Very low | 112 Ų | 112 | 164 Ų | 164 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -86.9 | 114.7 | -176.1 | 32 | -32.2 | 0 | 0 | 0 | 111.7 | R42 | R42-P44 WeakPolarHBondContact O-CD 3.27Š| ||
| 45 | L | 26 | Very low | 25.6 | Very low | 167 Ų | 167 | 167.5 Ų | 167.5 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -121.4 | 129.2 | 157.1 | -75.7 | 176.6 | 0 | 0 | 0 | 109.1 | H43 | H43-L45 PolarHBondContact O-N 2.86Š| ||
| 46 | S | 24.6 | Very low | 25.7 | Very low | 106 Ų | 106 | 165.4 Ų | 165.4 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | trans | -85 | 131.9 | -164.1 | 56.8 | 0 | 0 | 0 | 0 | 113.5 | Q48 | S46-Q48 PolarHBondContact O-N 2.7Š| ||
| 47 | L | 24.5 | Very low | 25.5 | Very low | 151 Ų | 151 | 166.6 Ų | 166.6 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | trans | 21.3 | 97.3 | 135.9 | -71.1 | 161.3 | 0 | 0 | 0 | 116.4 | ||||
| 48 | Q | 28.1 | Very low | 25.5 | Very low | 197 Ų | 197 | 160.8 Ų | 160.8 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -110.3 | 146.7 | 145.1 | -77.4 | -159.6 | -3.7 | 0 | 0 | 110.5 | S46 | S46-Q48 PolarHBondContact O-N 2.7Š| ||
| 49 | H | 25.4 | Very low | 25.7 | Very low | 169 Ų | 169 | 165.5 Ų | 165.5 | 78% | 0.782 | 82% | 0.82 | S | S | * | * | trans | -92.3 | 138.1 | -157.3 | -85.3 | -77.7 | 0 | 0 | 0 | 114.9 | ||||
| 50 | A | 23.5 | Very low | 25.6 | Very low | 76 Ų | 76 | 170.9 Ų | 170.9 | 63% | 0.628 | 83% | 0.828 | S | S | * | * | trans | 67.2 | 122.9 | 131.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 51 | R | 25.3 | Very low | 25.4 | Very low | 235 Ų | 235 | 173.6 Ų | 173.6 | 89% | 0.887 | 84% | 0.836 | S | S | * | * | trans | 63.8 | 84.5 | 134.7 | -60.8 | 173.5 | -179.6 | -174.9 | 1.3 | 118.4 | ||||
| 52 | R | 29.1 | Very low | 25.4 | Very low | 263 Ų | 263 | 170.6 Ų | 170.6 | 99% | 0.992 | 83% | 0.829 | S | S | * | * | trans | -129.1 | 98.8 | 131.7 | -74.1 | -167.1 | 174.9 | 176.1 | 0.4 | 110.4 | ||||
| 53 | R | 23 | Very low | 25.6 | Very low | 245 Ų | 245 | 166.6 Ų | 166.6 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | trans | -114.7 | 144 | 177.9 | -147 | -179.8 | -165.7 | 177.4 | 6 | 108.5 | ||||
| 54 | S | 24 | Very low | 25.6 | Very low | 109 Ų | 109 | 167.1 Ų | 167.1 | 76% | 0.762 | 83% | 0.829 | S | S | * | * | trans | 70.1 | 104.4 | 175.9 | -164.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 55 | K | 27.1 | Very low | 25.3 | Very low | 187 Ų | 187 | 170.8 Ų | 170.8 | 81% | 0.813 | 84% | 0.836 | S | S | * | * | -164.4 | 167.6 | 105.6 | -98 | 163.6 | -174.2 | 178.7 | 0 | 110 | |||||
| 56 | N | 26.9 | Very low | 25.4 | Very low | 147 Ų | 147 | 168.7 Ų | 168.7 | 79% | 0.786 | 83% | 0.83 | S | S | * | * | trans | 65.9 | 60 | 170.1 | -57.9 | -5.3 | 0 | 0 | 0 | 118 | ||||
| 57 | L | 23.3 | Very low | 25.3 | Very low | 183 Ų | 183 | 168.8 Ų | 168.8 | 96% | 0.958 | 83% | 0.831 | S | S | * | * | trans | -134.4 | 67.1 | 152.5 | -145.5 | 88.2 | 0 | 0 | 0 | 110.7 | ||||
| 58 | S | 24.5 | Very low | 25.1 | Very low | 109 Ų | 109 | 173.5 Ų | 173.5 | 76% | 0.762 | 84% | 0.838 | S | S | * | * | trans | -146.1 | 45.3 | -171.4 | 67.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 59 | K | 26.5 | Very low | 24.9 | Very low | 199 Ų | 199 | 174.9 Ų | 174.9 | 87% | 0.865 | 84% | 0.835 | S | S | * | * | trans | -164.2 | 89.9 | 167.9 | -121.9 | 178.8 | -176.7 | 179 | 0 | 111.1 | ||||
| 60 | Y | 23.7 | Very low | 24.8 | Very low | 238 Ų | 238 | 176.5 Ų | 176.5 | 93% | 0.933 | 84% | 0.84 | S | S | * | * | trans | -174.4 | 63.5 | 149.9 | -99.7 | -62 | 0 | 0 | 0 | 111.5 | ||||
| 61 | H | 23.6 | Very low | 24.8 | Very low | 191 Ų | 191 | 178.7 Ų | 178.7 | 88% | 0.884 | 85% | 0.848 | S | S | * | * | trans | -118.3 | 104.7 | 162.9 | -86.9 | -64.2 | 0 | 0 | 0 | 109.3 | ||||
| 62 | S | 26.2 | Very low | 24.9 | Very low | 108 Ų | 108 | 171 Ų | 171 | 76% | 0.755 | 84% | 0.842 | S | S | * | * | trans | -155.7 | 61.2 | 168.4 | -153.1 | 0 | 0 | 0 | 0 | 111.4 | K64 | S62-K64 PolarHBondContact O-N 3.36Š| ||
| 63 | T | 28.2 | Very low | 24.6 | Very low | 129 Ų | 129 | 163.7 Ų | 163.7 | 79% | 0.791 | 83% | 0.831 | S | S | * | * | trans | -69 | 96.4 | 172.8 | 40 | 0 | 0 | 0 | 0 | 110.6 | Q65 | T63-Q65 PolarHBondContact O-N 3.13Š| ||
| 64 | K | 25.1 | Very low | 24.7 | Very low | 189 Ų | 189 | 161.1 Ų | 161.1 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | trans | -73.4 | 100.4 | 168.9 | -76.2 | -176.5 | 177.4 | 176.6 | 0 | 110 | S62 T66 | S62-K64 PolarHBondContact O-N 3.36Å; K64-T66 PolarHBondContact O-N 3.29Å | ||
| 65 | Q | 23.8 | Very low | 24.7 | Very low | 189 Ų | 189 | 163.3 Ų | 163.3 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | trans | -65.5 | 111.4 | 166.2 | -71 | 178.5 | -30.8 | 0 | 0 | 109.7 | T63 | T63-Q65 PolarHBondContact O-N 3.13Š| ||
| 66 | T | 26.4 | Very low | 24.7 | Very low | 123 Ų | 123 | 157.5 Ų | 157.5 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | trans | -81.6 | 121.7 | 165.2 | 41.7 | 0 | 0 | 0 | 0 | 109.1 | K64 W68 | K64-T66 PolarHBondContact O-N 3.29Å; T66-W68 PolarHBondContact O-N 2.82Å | ||
| 67 | S | 23.8 | Very low | 24.6 | Very low | 108 Ų | 108 | 160 Ų | 160 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | trans | -86.8 | 99.7 | -167.9 | 43 | 0 | 0 | 0 | 0 | 112.7 | R69 | S67-R69 PolarHBondContact O-N 3.15Š| ||
| 68 | W | 20.7 | Very low | 24.5 | Very low | 249 Ų | 249 | 157.3 Ų | 157.3 | 94% | 0.943 | 82% | 0.815 | S | S | * | * | trans | -62.1 | 103.5 | 162.1 | -79.4 | 87.8 | 0 | 0 | 0 | 109.6 | T66 | T66-W68 PolarHBondContact O-N 2.82Š| ||
| 69 | R | 23.7 | Very low | 24.5 | Very low | 227 Ų | 227 | 160.7 Ų | 160.7 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 129.4 | 175.6 | -73.3 | -179.3 | 171.1 | -120.9 | 2.4 | 109.4 | S67 P71 | S67-R69 PolarHBondContact O-N 3.15Å; R69-P71 WeakPolarHBondContact O-CD 3.43Å |
| 70 | K | 22 | Very low | 24.4 | Very low | 202 Ų | 202 | 157.8 Ų | 157.8 | 88% | 0.878 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 125.7 | 168.6 | -66.2 | -176.5 | 176.7 | -174.7 | 0 | 109.8 | ||
| 71 | P | 25.1 | Very low | 24.4 | Very low | 123 Ų | 123 | 157.7 Ų | 157.7 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 145.8 | 156.7 | -18.1 | 32.6 | 0 | 0 | 0 | 109.1 | R69 S73 | R69-P71 WeakPolarHBondContact O-CD 3.43Å; P71-S73 PolarHBondContact O-N 2.87Å |
| 72 | G | 25.8 | Very low | 24.4 | Very low | 74 Ų | 74 | 156.7 Ų | 156.7 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 131.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q74 | G72-Q74 VanDerWaalsContact C-N 3.32Å; G72-Q74 PolarHBondContact O-N 3.34Å |
| 73 | S | 23.6 | Very low | 24.4 | Very low | 109 Ų | 109 | 157.7 Ų | 157.7 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | trans | -72.7 | 84.5 | 169.2 | 53.3 | 0 | 0 | 0 | 0 | 110.3 | P71 E75 | P71-S73 PolarHBondContact O-N 2.87Å; S73-E75 PolarHBondContact O-N 3.45Å | ||
| 74 | Q | 25.2 | Very low | 24.4 | Very low | 191 Ų | 191 | 158.2 Ų | 158.2 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | -76.1 | 103.2 | 159.6 | -77.2 | -170.4 | -27.5 | 0 | 0 | 108.2 | G72 G76 | G72-Q74 VanDerWaalsContact C-N 3.32Å; G72-Q74 PolarHBondContact O-N 3.34Å; Q74-G76 PolarHBondContact O-N 3.02Å | ||
| 75 | E | 24.3 | Very low | 24.5 | Very low | 154 Ų | 154 | 159.1 Ų | 159.1 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | trans | -71.7 | 74.9 | 177.7 | -64 | -176.1 | 150.3 | 0 | 0 | 110.5 | S73 Y77 | S73-E75 PolarHBondContact O-N 3.45Å; E75-Y77 HydrophobicContact CB-CE2 4.46Å; E75-Y77 WeakPolarHBondContact O-CD2 3.47Å; E75-Y77 PolarHBondContact O-N 3.46Å | ||
| 76 | G | 25.7 | Very low | 24.6 | Very low | 65 Ų | 65 | 159.8 Ų | 159.8 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | trans | -70.1 | 90.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q74 C78 | Q74-G76 PolarHBondContact O-N 3.02Å; G76-C78 VanDerWaalsContact C-N 3.3Å; G76-C78 PolarHBondContact O-N 3.23Å | ||
| 77 | Y | 24.5 | Very low | 24.6 | Very low | 201 Ų | 201 | 159.7 Ų | 159.7 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | trans | -58.7 | 82.8 | 176.8 | -86.5 | -103.3 | 0 | 0 | 0 | 112.6 | E75 Q79 | E75-Y77 HydrophobicContact CB-CE2 4.46Å; E75-Y77 WeakPolarHBondContact O-CD2 3.47Å; E75-Y77 PolarHBondContact O-N 3.46Å; Y77-Q79 PolarHBondContact O-N 3.38Å | ||
| 78 | C | 21.4 | Very low | 24.7 | Very low | 125 Ų | 125 | 164.4 Ų | 164.4 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -73.7 | 96.4 | 165.7 | -72.9 | 0 | 0 | 0 | 0 | 108.9 | G76 T80 | G76-C78 VanDerWaalsContact C-N 3.3Å; G76-C78 PolarHBondContact O-N 3.23Å; C78-T80 PolarHBondContact O-N 3.4Å | ||
| 79 | Q | 26.2 | Very low | 25.2 | Very low | 180 Ų | 180 | 156.7 Ų | 156.7 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | trans | -54.8 | 131.9 | -177.9 | -65.5 | 175.3 | -6 | 0 | 0 | 111.2 | Y77 R81 | Y77-Q79 PolarHBondContact O-N 3.38Å; Q79-R81 PolarHBondContact O-N 2.97Å | ||
| 80 | T | 23.9 | Very low | 25.5 | Very low | 138 Ų | 138 | 154.7 Ų | 154.7 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | trans | -61.4 | 97.3 | 175 | 43.6 | 0 | 0 | 0 | 0 | 110.4 | C78 Q82 | C78-T80 PolarHBondContact O-N 3.4Å; T80-Q82 PolarHBondContact O-N 3.22Å | ||
| 81 | R | 22.7 | Very low | 25.9 | Very low | 236 Ų | 236 | 147.5 Ų | 147.5 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 124.9 | 163.3 | -81.5 | -175.3 | 169.4 | 179.1 | -3.1 | 107.7 | Q79 V83 | Q79-R81 PolarHBondContact O-N 2.97Å; R81-V83 PolarHBondContact O-N 3.4Å; R81-V83 VanDerWaalsContact O-N 3.13Å |
| 82 | Q | 24.3 | Very low | 26 | Very low | 170 Ų | 170 | 148.8 Ų | 148.8 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 116.4 | 171.9 | -62.7 | -177.7 | -99.6 | 0 | 0 | 107.2 | T80 D84 | T80-Q82 PolarHBondContact O-N 3.22Å; Q82-D84 PolarHBondContact O-N 3.11Å |
| 83 | V | 26.2 | Very low | 26.2 | Very low | 129 Ų | 129 | 151 Ų | 151 | 78% | 0.782 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 118.2 | 168.2 | 178.9 | 0 | 0 | 0 | 0 | 106.2 | R81 | R81-V83 PolarHBondContact O-N 3.4Å; R81-V83 VanDerWaalsContact O-N 3.13Å |
| 84 | D | 28.1 | Very low | 26.3 | Very low | 141 Ų | 141 | 154.3 Ų | 154.3 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -59 | 144.2 | -177.9 | -72.9 | -61.5 | 0 | 0 | 0 | 111.3 | Q82 Y86 | Q82-D84 PolarHBondContact O-N 3.11Å; D84-Y86 PolarHBondContact O-N 2.98Å; D84-Y86 VanDerWaalsContact O-N 3.15Å |
| 85 | K | 27.3 | Very low | 26.3 | Very low | 207 Ų | 207 | 153.7 Ų | 153.7 | 90% | 0.9 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 120.1 | -178.5 | -80.8 | -177.8 | 170.1 | -176.1 | 0 | 109.8 | D87 | K85-D87 PolarHBondContact O-N 2.82Š|
| 86 | Y | 25.1 | Very low | 26.6 | Very low | 204 Ų | 204 | 157 Ų | 157 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 126.1 | 164.4 | -94 | -108.8 | 0 | 0 | 0 | 109.7 | D84 W88 | D84-Y86 PolarHBondContact O-N 2.98Å; D84-Y86 VanDerWaalsContact O-N 3.15Å; Y86-W88 VanDerWaalsContact O-CD1 3.23Å; Y86-W88 PolarHBondContact O-N 3.35Å |
| 87 | D | 27.6 | Very low | 26.7 | Very low | 120 Ų | 120 | 164.7 Ų | 164.7 | 64% | 0.642 | 77% | 0.766 | S | S | * | * | trans | -88.5 | 105 | -177 | -159.1 | -28.5 | 0 | 0 | 0 | 109.7 | K85 T89 | K85-D87 PolarHBondContact O-N 2.82Å; D87-T89 PolarHBondContact O-N 3.09Å; D87-T89 VanDerWaalsContact O-N 3.16Å; D87-T89 WeakPolarHBondContact OD1-CG2 3.46Å; D87-T89 PolarHBondContact OD1-OG1 3.05Å | ||
| 88 | W | 25.6 | Very low | 26.9 | Very low | 208 Ų | 208 | 162.3 Ų | 162.3 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -10.8 | -169.2 | -75.9 | 79.6 | 0 | 0 | 0 | 114.1 | Y86 K90 A91 | Y86-W88 VanDerWaalsContact O-CD1 3.23Å; Y86-W88 PolarHBondContact O-N 3.35Å; W88-K90 PolarHBondContact O-N 2.77Å; W88-K90 VanDerWaalsContact O-N 3.15Å; W88-A91 WeakPolarHBondContact O-CB 3.43Å; W88-A91 PolarHBondContact O-N 3.39Å |
| 89 | T | 30 | Very low | 27 | Very low | 87 Ų | 87 | 164 Ų | 164 | 53% | 0.534 | 76% | 0.763 | S | S | . | * | H | α-helix | trans | -60.1 | -23.6 | -177.7 | 51.3 | 0 | 0 | 0 | 0 | 114.4 | D87 | D87-T89 PolarHBondContact O-N 3.09Å; D87-T89 VanDerWaalsContact O-N 3.16Å; D87-T89 WeakPolarHBondContact OD1-CG2 3.46Å; D87-T89 PolarHBondContact OD1-OG1 3.05Å |
| 90 | K | 30.8 | Very low | 26.9 | Very low | 184 Ų | 184 | 158.1 Ų | 158.1 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -76 | -18.3 | 173.7 | -76.9 | -168.9 | 174.8 | -175.8 | 0 | 114.4 | W88 | W88-K90 PolarHBondContact O-N 2.77Å; W88-K90 VanDerWaalsContact O-N 3.15Å |
| 91 | A | 30.4 | Very low | 27.2 | Very low | 52 Ų | 52 | 156.6 Ų | 156.6 | 43% | 0.43 | 74% | 0.735 | S | S | . | * | H | α-helix | trans | -78.9 | -42.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | W88 N93 F94 | W88-A91 WeakPolarHBondContact O-CB 3.43Å; W88-A91 PolarHBondContact O-N 3.39Å; A91-N93 VanDerWaalsContact C-N 3.3Å; A91-N93 PolarHBondContact O-N 2.9Å; A91-F94 PolarHBondContact O-N 3.28Å |
| 92 | E | 28.1 | Very low | 27.7 | Very low | 149 Ų | 149 | 152 Ų | 152 | 70% | 0.696 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -65.6 | -30.7 | -175.8 | -66.5 | -169.2 | 128.4 | 0 | 0 | 113.3 | F94 H95 R96 | E92-F94 VanDerWaalsContact C-N 3.28Å; E92-F94 PolarHBondContact O-N 3.49Å; E92-H95 PolarHBondContact O-N 3.02Å; E92-R96 PolarHBondContact O-N 2.81Å |
| 93 | N | 30.1 | Very low | 28 | Very low | 122 Ų | 122 | 150 Ų | 150 | 65% | 0.652 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -69.3 | -21 | 178.3 | -83.2 | -41.9 | 0 | 0 | 0 | 113.9 | A91 | A91-N93 VanDerWaalsContact C-N 3.3Å; A91-N93 PolarHBondContact O-N 2.9Å |
| 94 | F | 24.8 | Very low | 28.2 | Very low | 178 Ų | 178 | 150.1 Ų | 150.1 | 78% | 0.781 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -76.9 | -38.7 | 175.2 | -141.3 | -90.1 | 0 | 0 | 0 | 111.2 | A91 E92 R96 | A91-F94 PolarHBondContact O-N 3.28Å; E92-F94 VanDerWaalsContact C-N 3.28Å; E92-F94 PolarHBondContact O-N 3.49Å; F94-R96 VanDerWaalsContact C-N 3.29Å; F94-R96 PolarHBondContact O-N 3.19Å |
| 95 | H | 26.3 | Very low | 28.5 | Very low | 177 Ų | 177 | 146.8 Ų | 146.8 | 82% | 0.819 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -72.9 | -11.7 | 178.9 | -93.6 | -74.5 | 0 | 0 | 0 | 115.1 | E92 | E92-H95 PolarHBondContact O-N 3.02Å |
| 96 | R | 30 | Very low | 28.8 | Very low | 225 Ų | 225 | 140.5 Ų | 140.5 | 85% | 0.849 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 5.9 | 178.1 | -83.4 | -165.2 | 178.4 | -131.6 | 4.9 | 115.4 | E92 F94 | E92-R96 PolarHBondContact O-N 2.81Å; F94-R96 VanDerWaalsContact C-N 3.29Å; F94-R96 PolarHBondContact O-N 3.19Å |
| 97 | R | 28.5 | Very low | 29 | Very low | 226 Ų | 226 | 136 Ų | 136 | 85% | 0.853 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -114.3 | 2.4 | -176.7 | -110 | -177.5 | -176.3 | -177 | 2.4 | 116.8 | ||
| 98 | L | 27.3 | Very low | 29.1 | Very low | 150 Ų | 150 | 134 Ų | 134 | 79% | 0.785 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -136.3 | 81.9 | 170.8 | -72 | 175.2 | 0 | 0 | 0 | 110.2 | ||
| 99 | M | 23.1 | Very low | 29.3 | Very low | 160 Ų | 160 | 127.3 Ų | 127.3 | 79% | 0.788 | 66% | 0.663 | S | S | * | * | trans | 179.5 | 123.2 | 143.4 | -88 | -40.7 | 170 | 0 | 0 | 106.2 | ||||
| 100 | S | 24.1 | Very low | 29.3 | Very low | 57 Ų | 57 | 128.2 Ų | 128.2 | 40% | 0.399 | 66% | 0.664 | S | S | . | * | trans | -86.3 | 141.3 | 174.6 | 78.8 | 0 | 0 | 0 | 0 | 109.5 | N102 E103 | S100-N102 PolarHBondContact O-N 3.01Å; S100-E103 PolarHBondContact O-N 3.35Å; S100-E103 PolarHBondContact OG-OE2 3.03Å | ||
| 101 | P | 31.5 | Very low | 29.2 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 70% | 0.695 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -60.5 | -17.1 | -177.9 | -27.4 | 36.5 | 0 | 0 | 0 | 115.2 | L104 | P101-L104 PolarHBondContact O-N 3.39Š|
| 102 | N | 32 | Very low | 29.3 | Very low | 140 Ų | 140 | 124.5 Ų | 124.5 | 75% | 0.749 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -74.1 | -24.1 | -177.9 | -67.6 | 31.2 | 0 | 0 | 0 | 113.1 | S100 L104 | S100-N102 PolarHBondContact O-N 3.01Å; N102-L104 VanDerWaalsContact C-N 3.27Å; N102-L104 PolarHBondContact O-N 2.67Å |
| 103 | E | 31.7 | Very low | 29.3 | Very low | 128 Ų | 128 | 120.9 Ų | 120.9 | 60% | 0.598 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -79.3 | -11.5 | 177.7 | -70.6 | 158.4 | 128.7 | 0 | 0 | 112.2 | S100 A105 | S100-E103 PolarHBondContact O-N 3.35Å; S100-E103 PolarHBondContact OG-OE2 3.03Å; E103-A105 VanDerWaalsContact C-N 3.3Å; E103-A105 PolarHBondContact O-N 3.39Å |
| 104 | L | 29.8 | Very low | 29.4 | Very low | 130 Ų | 130 | 119.6 Ų | 119.6 | 68% | 0.681 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -85.3 | 5.2 | 177.2 | -102.7 | 163 | 0 | 0 | 0 | 114.3 | P101 N102 | P101-L104 PolarHBondContact O-N 3.39Å; N102-L104 VanDerWaalsContact C-N 3.27Å; N102-L104 PolarHBondContact O-N 2.67Å |
| 105 | A | 33.8 | Very low | 29.8 | Very low | 72 Ų | 72 | 119.2 Ų | 119.2 | 60% | 0.595 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -82.1 | -31.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E103 S108 | E103-A105 VanDerWaalsContact C-N 3.3Å; E103-A105 PolarHBondContact O-N 3.39Å; A105-S108 PolarHBondContact O-OG 2.94Å |
| 106 | A | 33.5 | Very low | 30.3 | Very low | 75 Ų | 75 | 113.5 Ų | 113.5 | 62% | 0.62 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -47.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S108 | A106-S108 PolarHBondContact O-N 3.06Š|
| 107 | D | 29.8 | Very low | 30.5 | Very low | 108 Ų | 108 | 106.8 Ų | 106.8 | 58% | 0.578 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 4.4 | -172.5 | -68.1 | -14.5 | 0 | 0 | 0 | 114.7 | S109 I110 | D107-S109 VanDerWaalsContact C-N 3.26Å; D107-S109 PolarHBondContact O-N 3.29Å; D107-I110 PolarHBondContact O-N 3.18Å |
| 108 | S | 30.3 | Very low | 31 | Very low | 79 Ų | 79 | 99.7 Ų | 99.7 | 55% | 0.552 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -19.2 | -177.1 | 63.7 | 0 | 0 | 0 | 0 | 114.1 | A105 A106 S112 | A105-S108 PolarHBondContact O-OG 2.94Å; A106-S108 PolarHBondContact O-N 3.06Å; S108-S112 PolarHBondContact O-OG 2.92Å |
| 109 | S | 30 | Very low | 31.3 | Very low | 67 Ų | 67 | 97.6 Ų | 97.6 | 47% | 0.469 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70 | -44 | 173.9 | 52.1 | 0 | 0 | 0 | 0 | 113.1 | D107 S111 S112 C113 | D107-S109 VanDerWaalsContact C-N 3.26Å; D107-S109 PolarHBondContact O-N 3.29Å; S109-S111 VanDerWaalsContact C-N 3.34Å; S109-S111 PolarHBondContact O-N 3.22Å; S109-S112 PolarHBondContact O-N 2.98Å; S109-S112 PolarHBondContact O-OG 3.25Å; S109-S112 VanDerWaalsContact O-OG 3.08Å; S109-C113 PolarHBondContact O-N 3.35Å; S109-C113 PolarHBondContact O-SG 3.45Å |
| 110 | I | 29.5 | Very low | 32 | Very low | 107 Ų | 107 | 95.4 Ų | 95.4 | 55% | 0.549 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70.7 | -31.4 | -173.4 | -57.8 | 179.1 | 0 | 0 | 0 | 111.3 | D107 I114 | D107-I110 PolarHBondContact O-N 3.18Å; I110-I114 HydrophobicContact CG2-CD1 3.91Å |
| 111 | S | 28.5 | Very low | 33 | Very low | 101 Ų | 101 | 97.3 Ų | 97.3 | 71% | 0.706 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -79.1 | -15.9 | 178.4 | -173.5 | 0 | 0 | 0 | 0 | 114.7 | S109 | S109-S111 VanDerWaalsContact C-N 3.34Å; S109-S111 PolarHBondContact O-N 3.22Å |
| 112 | S | 31.9 | Very low | 33.3 | Very low | 56 Ų | 56 | 97.6 Ų | 97.6 | 39% | 0.392 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -94.6 | -41.7 | -179.5 | 48.6 | 0 | 0 | 0 | 0 | 113.5 | S108 S109 S116 | S108-S112 PolarHBondContact O-OG 2.92Å; S109-S112 PolarHBondContact O-N 2.98Å; S109-S112 PolarHBondContact O-OG 3.25Å; S109-S112 VanDerWaalsContact O-OG 3.08Å; S112-S116 PolarHBondContact O-OG 3.29Å |
| 113 | C | 29.3 | Very low | 33.6 | Very low | 74 Ų | 74 | 94 Ų | 94 | 50% | 0.5 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -79.2 | -23.4 | -169.3 | -61 | 0 | 0 | 0 | 0 | 114.4 | S109 | S109-C113 PolarHBondContact O-N 3.35Å; S109-C113 PolarHBondContact O-SG 3.45Å |
| 114 | I | 31.5 | Very low | 34.1 | Very low | 95 Ų | 95 | 90.9 Ų | 90.9 | 49% | 0.487 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -30.4 | -172.7 | -62.7 | 178.2 | 0 | 0 | 0 | 113.3 | I110 S118 | I110-I114 HydrophobicContact CG2-CD1 3.91Å; I114-S118 WeakPolarHBondContact O-CB 3.44Å |
| 115 | F | 32.6 | Very low | 34.8 | Very low | 169 Ų | 169 | 89.5 Ų | 89.5 | 74% | 0.741 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | -5.3 | -171.4 | -81.3 | -74.9 | 0 | 0 | 0 | 116 | ||
| 116 | S | 36.8 | Very low | 35 | Very low | 58 Ų | 58 | 92.3 Ų | 92.3 | 41% | 0.406 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -69.8 | 171.2 | -35.7 | 0 | 0 | 0 | 0 | 107.9 | S112 S118 L119 E120 | S112-S116 PolarHBondContact O-OG 3.29Å; S116-S118 PolarHBondContact O-N 3.03Å; S116-L119 PolarHBondContact O-N 3.35Å; S116-L119 VanDerWaalsContact O-N 3.14Å; S116-E120 PolarHBondContact O-N 2.71Å |
| 117 | D | 34.1 | Very low | 35.3 | Very low | 84 Ų | 84 | 94.2 Ų | 94.2 | 45% | 0.449 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.8 | -38.4 | -166.8 | -48.1 | -8.9 | 0 | 0 | 0 | 112 | L119 N121 | D117-L119 VanDerWaalsContact C-N 3.28Å; D117-L119 PolarHBondContact O-N 3.01Å; D117-N121 WeakPolarHBondContact O-CA 3.49Å; D117-N121 WeakPolarHBondContact O-CB 3.34Å; D117-N121 PolarHBondContact O-N 3.45Å; D117-N121 PolarHBondContact O-OD1 3.32Å |
| 118 | S | 39.2 | Very low | 36.1 | Very low | 77 Ų | 77 | 93.3 Ų | 93.3 | 54% | 0.538 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.4 | -26 | 176.9 | -170 | 0 | 0 | 0 | 0 | 113.6 | I114 S116 L122 | I114-S118 WeakPolarHBondContact O-CB 3.44Å; S116-S118 PolarHBondContact O-N 3.03Å; S118-L122 VanDerWaalsContact O-CB 3.24Å; S118-L122 WeakPolarHBondContact O-CB 3.43Å; S118-L122 PolarHBondContact O-N 3.12Å; S118-L122 VanDerWaalsContact O-N 3.15Å |
| 119 | L | 33.4 | Very low | 36.6 | Very low | 105 Ų | 105 | 93.8 Ų | 93.8 | 55% | 0.55 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -91.8 | -38.4 | 177 | -173.5 | 63.4 | 0 | 0 | 0 | 111.7 | S116 D117 N121 L122 V123 | S116-L119 PolarHBondContact O-N 3.35Å; S116-L119 VanDerWaalsContact O-N 3.14Å; D117-L119 VanDerWaalsContact C-N 3.28Å; D117-L119 PolarHBondContact O-N 3.01Å; L119-N121 VanDerWaalsContact C-N 3.31Å; L119-L122 PolarHBondContact O-N 3.49Å; L119-V123 HydrophobicContact CD1-CG2 4.27Å; L119-V123 HydrophobicContact CG-CG2 4.48Å; L119-V123 VanDerWaalsContact O-CB 3.27Å; L119-V123 WeakPolarHBondContact O-CB 3.47Å; L119-V123 VanDerWaalsContact O-CG2 3.23Å; L119-V123 WeakPolarHBondContact O-CG2 3.37Å; L119-V123 PolarHBondContact O-N 3.43Å |
| 120 | E | 38 | Very low | 36.7 | Very low | 115 Ų | 115 | 94 Ų | 94 | 54% | 0.537 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.8 | -35.6 | 170.5 | -72.7 | -161.9 | 167.2 | 0 | 0 | 110.7 | S116 S124 K1172 | S116-E120 PolarHBondContact O-N 2.71Å; E120-S124 WeakPolarHBondContact O-CB 3.44Å; E120-S124 PolarHBondContact O-N 3.21Å; E120-S124 PolarHBondContact O-OG 2.87Å; E120-K1172 IonicContact OE1-NZ 3.71Å; E120-K1172 IonicContact OE2-NZ 3.43Å |
| 121 | N | 46.3 | Very low | 37.2 | Very low | 96 Ų | 96 | 92.5 Ų | 92.5 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.8 | -50 | 171.6 | -70.9 | -5.2 | 0 | 0 | 0 | 111.8 | D117 L119 V123 S124 D125 | D117-N121 WeakPolarHBondContact O-CA 3.49Å; D117-N121 WeakPolarHBondContact O-CB 3.34Å; D117-N121 PolarHBondContact O-N 3.45Å; D117-N121 PolarHBondContact O-OD1 3.32Å; L119-N121 VanDerWaalsContact C-N 3.31Å; N121-V123 PolarHBondContact O-N 2.7Å; N121-S124 CarbonylContact O-C 3.43Å; N121-S124 WeakPolarHBondContact O-CA 3.49Å; N121-S124 PolarHBondContact O-N 3.11Å; N121-D125 WeakPolarHBondContact O-CB 3.44Å; N121-D125 PolarHBondContact O-N 2.94Å |
| 122 | L | 37.6 | Very low | 37.7 | Very low | 113 Ų | 113 | 97 Ų | 97 | 59% | 0.592 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.9 | -29.3 | 179.9 | -171.8 | 141.2 | 0 | 0 | 0 | 112.5 | S118 L119 F126 | S118-L122 VanDerWaalsContact O-CB 3.24Å; S118-L122 WeakPolarHBondContact O-CB 3.43Å; S118-L122 PolarHBondContact O-N 3.12Å; S118-L122 VanDerWaalsContact O-N 3.15Å; L119-L122 PolarHBondContact O-N 3.49Å; L122-F126 WeakPolarHBondContact O-CB 3.4Å; L122-F126 PolarHBondContact O-N 2.9Å; L122-F126 VanDerWaalsContact O-N 3.13Å |
| 123 | V | 37.7 | Very low | 38 | Very low | 65 Ų | 65 | 98.7 Ų | 98.7 | 39% | 0.394 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73.4 | -37.7 | 168.8 | 171.8 | 0 | 0 | 0 | 0 | 111.6 | L119 N121 F126 E127 | L119-V123 HydrophobicContact CD1-CG2 4.27Å; L119-V123 HydrophobicContact CG-CG2 4.48Å; L119-V123 VanDerWaalsContact O-CB 3.27Å; L119-V123 WeakPolarHBondContact O-CB 3.47Å; L119-V123 VanDerWaalsContact O-CG2 3.23Å; L119-V123 WeakPolarHBondContact O-CG2 3.37Å; L119-V123 PolarHBondContact O-N 3.43Å; N121-V123 PolarHBondContact O-N 2.7Å; V123-F126 PolarHBondContact O-N 2.82Å; V123-E127 HydrophobicContact CG1-CG 4.33Å; V123-E127 WeakPolarHBondContact O-CB 3.27Å; V123-E127 WeakPolarHBondContact O-CG 3.4Å; V123-E127 PolarHBondContact O-N 3.43Å |
| 124 | S | 43.2 | Very low | 38 | Very low | 63 Ų | 63 | 99.1 Ų | 99.1 | 44% | 0.441 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.2 | -39 | 176.9 | -60.8 | 0 | 0 | 0 | 0 | 112.6 | E120 N121 F126 E127 E128 | E120-S124 WeakPolarHBondContact O-CB 3.44Å; E120-S124 PolarHBondContact O-N 3.21Å; E120-S124 PolarHBondContact O-OG 2.87Å; N121-S124 CarbonylContact O-C 3.43Å; N121-S124 WeakPolarHBondContact O-CA 3.49Å; N121-S124 PolarHBondContact O-N 3.11Å; S124-F126 VanDerWaalsContact C-N 3.32Å; S124-E127 CarbonylContact O-C 3.6Å; S124-E127 PolarHBondContact O-N 2.86Å; S124-E128 VanDerWaalsContact O-CB 3.23Å; S124-E128 WeakPolarHBondContact O-CB 3.47Å; S124-E128 PolarHBondContact O-N 2.96Å |
| 125 | D | 43.4 | Very low | 37.8 | Very low | 100 Ų | 100 | 97.5 Ų | 97.5 | 54% | 0.535 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.3 | -36.5 | 173 | -68.9 | -27.8 | 0 | 0 | 0 | 110.5 | N121 T129 | N121-D125 WeakPolarHBondContact O-CB 3.44Å; N121-D125 PolarHBondContact O-N 2.94Å; D125-T129 WeakPolarHBondContact O-CB 3.07Å; D125-T129 PolarHBondContact O-N 2.83Å; D125-T129 PolarHBondContact O-OG1 3.11Å |
| 126 | F | 38.2 | Very low | 37.5 | Very low | 131 Ų | 131 | 95.5 Ų | 95.5 | 58% | 0.575 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -72.7 | -40.4 | 174.1 | -168.6 | -104.9 | 0 | 0 | 0 | 112 | L122 V123 S124 T129 L130 | L122-F126 WeakPolarHBondContact O-CB 3.4Å; L122-F126 PolarHBondContact O-N 2.9Å; L122-F126 VanDerWaalsContact O-N 3.13Å; V123-F126 PolarHBondContact O-N 2.82Å; S124-F126 VanDerWaalsContact C-N 3.32Å; F126-T129 PolarHBondContact O-N 3.4Å; F126-L130 HydrophobicContact CD1-CD1 3.74Å; F126-L130 HydrophobicContact CD1-CG 4.4Å; F126-L130 HydrophobicContact CE1-CD1 3.55Å; F126-L130 HydrophobicContact CE1-CG 4.27Å; F126-L130 HydrophobicContact CZ-CD1 4.28Å; F126-L130 VanDerWaalsContact O-CB 3.29Å; F126-L130 WeakPolarHBondContact O-CB 3.4Å; F126-L130 VanDerWaalsContact O-CG 3.23Å; F126-L130 WeakPolarHBondContact O-CG 3.31Å; F126-L130 PolarHBondContact O-N 2.88Å |
| 127 | E | 39.9 | Very low | 36.9 | Very low | 115 Ų | 115 | 100.9 Ų | 100.9 | 54% | 0.537 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70.8 | -30.8 | 173.5 | -76.2 | -168.8 | 174.6 | 0 | 0 | 112.3 | V123 S124 S131 | V123-E127 HydrophobicContact CG1-CG 4.33Å; V123-E127 WeakPolarHBondContact O-CB 3.27Å; V123-E127 WeakPolarHBondContact O-CG 3.4Å; V123-E127 PolarHBondContact O-N 3.43Å; S124-E127 CarbonylContact O-C 3.6Å; S124-E127 PolarHBondContact O-N 2.86Å; E127-S131 VanDerWaalsContact O-CB 3.25Å; E127-S131 WeakPolarHBondContact O-CB 3.38Å; E127-S131 PolarHBondContact O-N 2.94Å; E127-S131 PolarHBondContact O-OG 3.02Å |
| 128 | E | 45.8 | Very low | 36.6 | Very low | 90 Ų | 90 | 102.5 Ų | 102.5 | 42% | 0.421 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -74.6 | -40.3 | 171.3 | -175.4 | 169.7 | 173.2 | 0 | 0 | 110.7 | S124 L130 S131 R132 | S124-E128 VanDerWaalsContact O-CB 3.23Å; S124-E128 WeakPolarHBondContact O-CB 3.47Å; S124-E128 PolarHBondContact O-N 2.96Å; E128-L130 VanDerWaalsContact C-N 3.3Å; E128-L130 PolarHBondContact O-N 3.11Å; E128-S131 PolarHBondContact O-N 3.46Å; E128-S131 VanDerWaalsContact O-N 3.12Å; E128-R132 HydrophobicContact CG-CG 4.17Å; E128-R132 WeakPolarHBondContact O-CB 3.35Å; E128-R132 VanDerWaalsContact O-CG 3.28Å; E128-R132 WeakPolarHBondContact O-CG 3.45Å; E128-R132 PolarHBondContact O-N 3.16Å; E128-R132 IonicContact OE1-CZ 2.93Å; E128-R132 IonicContact OE1-NE 2.71Å; E128-R132 PolarHBondContact OE1-NE 2.92Å; E128-R132 IonicContact OE1-NH2 2.95Å; E128-R132 PolarHBondContact OE1-NH2 3.49Å |
| 129 | T | 42.3 | Very low | 35.8 | Very low | 88 Ų | 88 | 111 Ų | 111 | 54% | 0.54 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.7 | -39.1 | 172.1 | -61.6 | 0 | 0 | 0 | 0 | 110.9 | D125 F126 S133 | D125-T129 WeakPolarHBondContact O-CB 3.07Å; D125-T129 PolarHBondContact O-N 2.83Å; D125-T129 PolarHBondContact O-OG1 3.11Å; F126-T129 PolarHBondContact O-N 3.4Å; T129-S133 WeakPolarHBondContact O-CB 3.46Å; T129-S133 PolarHBondContact O-N 3.35Å; T129-S133 PolarHBondContact O-OG 3.31Å |
| 130 | L | 31.8 | Very low | 35.5 | Very low | 73 Ų | 73 | 109.3 Ų | 109.3 | 38% | 0.382 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.7 | -36.4 | 170.8 | -75.3 | 173.6 | 0 | 0 | 0 | 112.2 | F126 E128 S133 S134 | F126-L130 HydrophobicContact CD1-CD1 3.74Å; F126-L130 HydrophobicContact CD1-CG 4.4Å; F126-L130 HydrophobicContact CE1-CD1 3.55Å; F126-L130 HydrophobicContact CE1-CG 4.27Å; F126-L130 HydrophobicContact CZ-CD1 4.28Å; F126-L130 VanDerWaalsContact O-CB 3.29Å; F126-L130 WeakPolarHBondContact O-CB 3.4Å; F126-L130 VanDerWaalsContact O-CG 3.23Å; F126-L130 WeakPolarHBondContact O-CG 3.31Å; F126-L130 PolarHBondContact O-N 2.88Å; E128-L130 VanDerWaalsContact C-N 3.3Å; E128-L130 PolarHBondContact O-N 3.11Å; L130-S133 WeakPolarHBondContact CA-OG 3.3Å; L130-S133 CarbonylContact O-C 3.51Å; L130-S133 PolarHBondContact O-N 3.01Å; L130-S133 PolarHBondContact O-OG 2.88Å; L130-S134 WeakPolarHBondContact O-CB 3.13Å; L130-S134 PolarHBondContact O-N 3.43Å; L130-S134 PolarHBondContact O-OG 3.32Å |
| 131 | S | 40.4 | Very low | 34.9 | Very low | 74 Ų | 74 | 108.4 Ų | 108.4 | 52% | 0.517 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -69.1 | -46.3 | 177.1 | -64 | 0 | 0 | 0 | 0 | 111.5 | E127 E128 S133 S134 | E127-S131 VanDerWaalsContact O-CB 3.25Å; E127-S131 WeakPolarHBondContact O-CB 3.38Å; E127-S131 PolarHBondContact O-N 2.94Å; E127-S131 PolarHBondContact O-OG 3.02Å; E128-S131 PolarHBondContact O-N 3.46Å; E128-S131 VanDerWaalsContact O-N 3.12Å; S131-S133 PolarHBondContact O-N 3.03Å; S131-S134 PolarHBondContact O-N 3.47Å; S131-S134 VanDerWaalsContact O-N 3.13Å |
| 132 | R | 38.2 | Very low | 34 | Very low | 197 Ų | 197 | 110.8 Ų | 110.8 | 74% | 0.743 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -60.4 | -27.4 | 173 | -70.3 | 176.5 | -179.3 | -153.7 | 6.9 | 112.3 | E128 | E128-R132 HydrophobicContact CG-CG 4.17Å; E128-R132 WeakPolarHBondContact O-CB 3.35Å; E128-R132 VanDerWaalsContact O-CG 3.28Å; E128-R132 WeakPolarHBondContact O-CG 3.45Å; E128-R132 PolarHBondContact O-N 3.16Å; E128-R132 IonicContact OE1-CZ 2.93Å; E128-R132 IonicContact OE1-NE 2.71Å; E128-R132 PolarHBondContact OE1-NE 2.92Å; E128-R132 IonicContact OE1-NH2 2.95Å; E128-R132 PolarHBondContact OE1-NH2 3.49Å |
| 133 | S | 38 | Very low | 33.3 | Very low | 90 Ų | 90 | 111.9 Ų | 111.9 | 63% | 0.629 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 2 | 175.5 | 60.1 | 0 | 0 | 0 | 0 | 115.4 | T129 L130 S131 | T129-S133 WeakPolarHBondContact O-CB 3.46Å; T129-S133 PolarHBondContact O-N 3.35Å; T129-S133 PolarHBondContact O-OG 3.31Å; L130-S133 WeakPolarHBondContact CA-OG 3.3Å; L130-S133 CarbonylContact O-C 3.51Å; L130-S133 PolarHBondContact O-N 3.01Å; L130-S133 PolarHBondContact O-OG 2.88Å; S131-S133 PolarHBondContact O-N 3.03Å |
| 134 | S | 30.4 | Very low | 32.7 | Very low | 84 Ų | 84 | 112.9 Ų | 112.9 | 59% | 0.587 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -120.1 | 28.8 | 176.6 | 61.4 | 0 | 0 | 0 | 0 | 113.5 | L130 S131 T136 | L130-S134 WeakPolarHBondContact O-CB 3.13Å; L130-S134 PolarHBondContact O-N 3.43Å; L130-S134 PolarHBondContact O-OG 3.32Å; S131-S134 PolarHBondContact O-N 3.47Å; S131-S134 VanDerWaalsContact O-N 3.13Å; S134-T136 PolarHBondContact O-N 3.14Å |
| 135 | G | 27.2 | Very low | 31.7 | Very low | 60 Ų | 60 | 121 Ų | 121 | 62% | 0.619 | 68% | 0.676 | S | S | * | * | trans | -54.9 | 88.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 136 | T | 25.5 | Very low | 30.8 | Very low | 128 Ų | 128 | 121.9 Ų | 121.9 | 79% | 0.785 | 68% | 0.681 | S | S | * | * | trans | 51.1 | 77.4 | 154 | 56.7 | 0 | 0 | 0 | 0 | 117.4 | S134 | S134-T136 PolarHBondContact O-N 3.14Š| ||
| 137 | L | 24.5 | Very low | 30.1 | Very low | 171 Ų | 171 | 121 Ų | 121 | 90% | 0.895 | 68% | 0.682 | S | S | * | * | trans | -79 | 119.5 | 144.6 | -77.3 | 175.7 | 0 | 0 | 0 | 109 | ||||
| 138 | P | 26.7 | Very low | 29.4 | Very low | 117 Ų | 117 | 122.8 Ų | 122.8 | 76% | 0.76 | 69% | 0.688 | S | S | * | * | trans | -69.5 | 136.2 | -179.2 | 27.8 | -33.9 | 0 | 0 | 0 | 111.1 | G140 | P138-G140 VanDerWaalsContact C-N 3.27Å; P138-G140 PolarHBondContact O-N 2.8Å | ||
| 139 | R | 23.3 | Very low | 28.5 | Very low | 255 Ų | 255 | 125 Ų | 125 | 96% | 0.962 | 70% | 0.703 | S | S | * | * | trans | -74.2 | 75.6 | 176.4 | -74.4 | -178.8 | 171.5 | 164 | -0.9 | 111.7 | ||||
| 140 | G | 28 | Very low | 27.7 | Very low | 70 Ų | 70 | 131.5 Ų | 131.5 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | trans | -63.6 | 137.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | P138 | P138-G140 VanDerWaalsContact C-N 3.27Å; P138-G140 PolarHBondContact O-N 2.8Å | ||
| 141 | A | 25.2 | Very low | 27.3 | Very low | 97 Ų | 97 | 134 Ų | 134 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | trans | -73.8 | 146.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V143 | A141-V143 PolarHBondContact O-N 3.34Š| ||
| 142 | V | 26.1 | Very low | 26.8 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 88% | 0.879 | 75% | 0.751 | S | S | * | * | trans | -73.2 | 115.1 | 175.5 | 177 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 143 | V | 24.3 | Very low | 26.5 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | trans | -131.7 | 120.4 | 157.1 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | A141 | A141-V143 PolarHBondContact O-N 3.34Š| ||
| 144 | S | 24.8 | Very low | 26.2 | Very low | 86 Ų | 86 | 135.8 Ų | 135.8 | 60% | 0.601 | 76% | 0.761 | S | S | * | * | trans | -71.5 | 141.7 | 177.4 | 171.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 145 | R | 22.2 | Very low | 26.2 | Very low | 234 Ų | 234 | 139.9 Ų | 139.9 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | -160.8 | 118.8 | 131.3 | -109.9 | 159 | -178.6 | 163.5 | 0.5 | 112.5 | ||||
| 146 | N | 23.3 | Very low | 26.4 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | 20.4 | 136.3 | 110.1 | -61.7 | 33.3 | 0 | 0 | 0 | 116.4 | |||||
| 147 | D | 24.8 | Very low | 26.6 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 59% | 0.594 | 76% | 0.756 | S | S | * | * | cis | -149.2 | 156.2 | 23.3 | -104.2 | -34.2 | 0 | 0 | 0 | 114.2 | ||||
| 148 | K | 24.5 | Very low | 27 | Very low | 154 Ų | 154 | 137 Ų | 137 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | trans | 22.3 | 134.5 | 141.2 | -49.8 | 175.7 | -166.8 | 75.9 | 0 | 119.4 | ||||
| 149 | D | 26.7 | Very low | 27.2 | Very low | 137 Ų | 137 | 140.1 Ų | 140.1 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | -162 | 168 | 96.4 | -96.8 | -22.7 | 0 | 0 | 0 | 112.3 | |||||
| 150 | Y | 26.1 | Very low | 27.6 | Very low | 223 Ų | 223 | 137.4 Ų | 137.4 | 88% | 0.875 | 74% | 0.736 | S | S | * | * | trans | 61.3 | 81.7 | 174.1 | -63.4 | -79.7 | 0 | 0 | 0 | 119 | ||||
| 151 | C | 24.4 | Very low | 27.8 | Very low | 126 Ų | 126 | 142.7 Ų | 142.7 | 85% | 0.851 | 73% | 0.734 | S | S | * | * | -157.8 | 119.2 | 122.3 | -136.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 152 | S | 28.7 | Very low | 28 | Very low | 104 Ų | 104 | 145.7 Ų | 145.7 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | -28.2 | 122.3 | -178.6 | 51.7 | 0 | 0 | 0 | 0 | 119 | N154 | S152-N154 PolarHBondContact O-N 3.47Š| ||
| 153 | D | 31.4 | Very low | 28 | Very low | 142 Ų | 142 | 141.6 Ų | 141.6 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -63.9 | 2.5 | -176.8 | -81.2 | -68.8 | 0 | 0 | 0 | 118.4 | E155 L156 | D153-E155 VanDerWaalsContact C-N 3.32Å; D153-E155 PolarHBondContact O-N 2.92Å; D153-E155 VanDerWaalsContact O-N 3.14Å; D153-L156 PolarHBondContact O-N 3.47Å |
| 154 | N | 32.9 | Very low | 28 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -72.3 | -9.7 | -163.6 | -92.5 | -1 | 0 | 0 | 0 | 116.9 | S152 | S152-N154 PolarHBondContact O-N 3.47Š|
| 155 | E | 30.4 | Very low | 28 | Very low | 171 Ų | 171 | 146.2 Ų | 146.2 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -101.6 | -17.1 | 179.5 | -62.4 | -161 | 136.2 | 0 | 0 | 114.3 | D153 | D153-E155 VanDerWaalsContact C-N 3.32Å; D153-E155 PolarHBondContact O-N 2.92Å; D153-E155 VanDerWaalsContact O-N 3.14Å |
| 156 | L | 30.4 | Very low | 28.2 | Very low | 102 Ų | 102 | 146 Ų | 146 | 53% | 0.534 | 74% | 0.735 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.1 | -21.2 | -173.8 | -152.4 | 71.6 | 0 | 0 | 0 | 114.1 | D153 A158 F159 | D153-L156 PolarHBondContact O-N 3.47Å; L156-A158 VanDerWaalsContact C-N 3.3Å; L156-A158 PolarHBondContact O-N 3.24Å; L156-F159 PolarHBondContact O-N 2.88Å |
| 157 | E | 31.1 | Very low | 28.1 | Very low | 118 Ų | 118 | 146.8 Ų | 146.8 | 55% | 0.551 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -63.8 | -34.3 | 172.1 | -98.6 | -113.3 | 134.7 | 0 | 0 | 112.1 | F159 R160 R161 | E157-F159 PolarHBondContact O-N 3.12Å; E157-R160 PolarHBondContact O-N 3.35Å; E157-R161 IonicContact OE1-NH2 3.61Å; E157-R161 IonicContact OE2-CZ 3.42Å; E157-R161 IonicContact OE2-NH1 2.7Å; E157-R161 PolarHBondContact OE2-NH1 3.14Å; E157-R161 IonicContact OE2-NH2 3.17Å; E157-R161 PolarHBondContact OE2-NH2 3Å; E157-R161 VanDerWaalsContact OE2-NH2 3.17Å |
| 158 | A | 32.5 | Very low | 28.1 | Very low | 79 Ų | 79 | 146.6 Ų | 146.6 | 65% | 0.653 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -33.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | L156 | L156-A158 VanDerWaalsContact C-N 3.3Å; L156-A158 PolarHBondContact O-N 3.24Å |
| 159 | F | 29.7 | Very low | 28 | Very low | 182 Ų | 182 | 144.3 Ų | 144.3 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -11.3 | -176.3 | -98 | -83 | 0 | 0 | 0 | 115.2 | L156 E157 | L156-F159 PolarHBondContact O-N 2.88Å; E157-F159 PolarHBondContact O-N 3.12Å |
| 160 | R | 32 | Very low | 28 | Very low | 198 Ų | 198 | 145.1 Ų | 145.1 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -11.8 | -176.3 | -71.2 | -164.1 | -174.2 | 128.6 | 2.7 | 116.2 | E157 | E157-R160 PolarHBondContact O-N 3.35Š|
| 161 | R | 32.5 | Very low | 27.9 | Very low | 180 Ų | 180 | 143.7 Ų | 143.7 | 68% | 0.679 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -82.1 | -13 | -174.9 | -78.9 | -167.7 | 175.4 | 90.6 | 10.3 | 116.1 | E157 G163 | E157-R161 IonicContact OE1-NH2 3.61Å; E157-R161 IonicContact OE2-CZ 3.42Å; E157-R161 IonicContact OE2-NH1 2.7Å; E157-R161 PolarHBondContact OE2-NH1 3.14Å; E157-R161 IonicContact OE2-NH2 3.17Å; E157-R161 PolarHBondContact OE2-NH2 3Å; E157-R161 VanDerWaalsContact OE2-NH2 3.17Å; R161-G163 PolarHBondContact O-N 3.45Å |
| 162 | N | 29.7 | Very low | 27.9 | Very low | 160 Ų | 160 | 143 Ų | 143 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -98.2 | 82.4 | 178.2 | -74.8 | -16.6 | 0 | 0 | 0 | 111.9 | ||
| 163 | G | 26.5 | Very low | 27.7 | Very low | 59 Ų | 59 | 143.4 Ų | 143.4 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | trans | -78.9 | 150.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | R161 | R161-G163 PolarHBondContact O-N 3.45Š| ||
| 164 | S | 23.3 | Very low | 27.5 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | 43.9 | 81.7 | 152.8 | 178 | 0 | 0 | 0 | 0 | 118 | ||||
| 165 | F | 25.9 | Very low | 27.3 | Very low | 209 Ų | 209 | 138 Ų | 138 | 92% | 0.917 | 76% | 0.763 | S | S | * | * | trans | -108.4 | 125 | 145 | -91.3 | -88.7 | 0 | 0 | 0 | 110.6 | ||||
| 166 | R | 24.8 | Very low | 27 | Very low | 229 Ų | 229 | 139.6 Ų | 139.6 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | -66.4 | 131.3 | -177 | -66.6 | 179 | 174.5 | -167.7 | -2.8 | 110.3 | P168 | R166-P168 WeakPolarHBondContact O-CD 3.39Š| ||
| 167 | T | 22.5 | Very low | 26.8 | Very low | 135 Ų | 135 | 141.4 Ų | 141.4 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | trans | -59.1 | 115.3 | 171.4 | 44.7 | 0 | 0 | 0 | 0 | 111.2 | A169 | T167-A169 PolarHBondContact O-N 3.03Š| ||
| 168 | P | 23.7 | Very low | 26.7 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | -74.9 | 120.2 | 171.5 | -10.5 | 28.4 | 0 | 0 | 0 | 108.7 | R166 I170 | R166-P168 WeakPolarHBondContact O-CD 3.39Å; P168-I170 VanDerWaalsContact C-N 3.3Å; P168-I170 HydrophobicContact CB-CG1 4.47Å; P168-I170 PolarHBondContact O-N 2.87Å | ||
| 169 | A | 23 | Very low | 26.4 | Very low | 106 Ų | 106 | 143.8 Ų | 143.8 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | trans | -72.5 | 81.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T167 | T167-A169 PolarHBondContact O-N 3.03Š| ||
| 170 | I | 25.8 | Very low | 26.2 | Very low | 153 Ų | 153 | 146 Ų | 146 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -93.2 | 127.7 | 172.1 | -60.7 | -179.4 | 0 | 0 | 0 | 108.5 | P168 | P168-I170 VanDerWaalsContact C-N 3.3Å; P168-I170 HydrophobicContact CB-CG1 4.47Å; P168-I170 PolarHBondContact O-N 2.87Å | ||
| 171 | K | 25.2 | Very low | 25.8 | Very low | 194 Ų | 194 | 142 Ų | 142 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -66.4 | 142.6 | -169.8 | -63 | 176 | -179.4 | 178.2 | 0 | 111.5 | S173 | K171-S173 PolarHBondContact O-N 3.03Š| ||
| 172 | A | 24.2 | Very low | 25.5 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | trans | -62.2 | 100.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 173 | S | 25.4 | Very low | 25.3 | Very low | 113 Ų | 113 | 138 Ų | 138 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -87.3 | 107.8 | 166.6 | 55.6 | 0 | 0 | 0 | 0 | 109.4 | K171 G175 | K171-S173 PolarHBondContact O-N 3.03Å; S173-G175 PolarHBondContact O-N 2.71Å | ||
| 174 | S | 25.6 | Very low | 25.1 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -27.9 | 91.3 | 173.4 | 167 | 0 | 0 | 0 | 0 | 115 | R176 | S174-R176 PolarHBondContact O-N 2.93Š| ||
| 175 | G | 28.5 | Very low | 25.2 | Very low | 73 Ų | 73 | 139.4 Ų | 139.4 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -80.9 | 98.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | S173 T177 | S173-G175 PolarHBondContact O-N 2.71Å; G175-T177 PolarHBondContact O-N 3.36Å | ||
| 176 | R | 25.3 | Very low | 25.1 | Very low | 204 Ų | 204 | 140.2 Ų | 140.2 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -70.6 | 126.8 | 169.4 | -81.6 | -178 | 170.3 | 171.8 | -4.2 | 109.2 | S174 E178 | S174-R176 PolarHBondContact O-N 2.93Å; R176-E178 PolarHBondContact O-N 3.47Å | ||
| 177 | T | 26.3 | Very low | 25 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | trans | -72.7 | 100.7 | 161.6 | 48 | 0 | 0 | 0 | 0 | 108.4 | G175 | G175-T177 PolarHBondContact O-N 3.36Š| ||
| 178 | E | 28.2 | Very low | 25.2 | Very low | 178 Ų | 178 | 136.1 Ų | 136.1 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -71.3 | 129.1 | 168.4 | -65.3 | -176.3 | 151.3 | 0 | 0 | 108.5 | R176 | R176-E178 PolarHBondContact O-N 3.47Š| ||
| 179 | G | 26.5 | Very low | 25.4 | Very low | 68 Ų | 68 | 137.3 Ų | 137.3 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | trans | -71.3 | 145.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112 | T181 | G179-T181 PolarHBondContact O-N 3.46Š| ||
| 180 | Y | 24.7 | Very low | 25.5 | Very low | 230 Ų | 230 | 139.3 Ų | 139.3 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | trans | -66.8 | 103.7 | 175 | -80.8 | -91.4 | 0 | 0 | 0 | 110.9 | ||||
| 181 | T | 25.4 | Very low | 25.5 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 69% | 0.693 | 79% | 0.791 | S | S | * | * | trans | -87.8 | 127.1 | 156.6 | 50.3 | 0 | 0 | 0 | 0 | 108.9 | G179 D183 | G179-T181 PolarHBondContact O-N 3.46Å; T181-D183 PolarHBondContact O-N 3.25Å | ||
| 182 | S | 24.8 | Very low | 25.6 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -76 | 89.6 | 179.2 | 50 | 0 | 0 | 0 | 0 | 111.2 | C184 | S182-C184 VanDerWaalsContact C-N 3.27Å; S182-C184 PolarHBondContact O-N 3.31Å | ||
| 183 | D | 25.3 | Very low | 25.7 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -69.6 | 79.9 | 173.7 | -81 | -27.5 | 0 | 0 | 0 | 111.4 | T181 A185 | T181-D183 PolarHBondContact O-N 3.25Å; D183-A185 VanDerWaalsContact C-N 3.32Å; D183-A185 PolarHBondContact O-N 2.86Å | ||
| 184 | C | 22.8 | Very low | 25.6 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | trans | -68.9 | 86.2 | 170.7 | -66.5 | 0 | 0 | 0 | 0 | 110.2 | S182 Y186 | S182-C184 VanDerWaalsContact C-N 3.27Å; S182-C184 PolarHBondContact O-N 3.31Å; C184-Y186 PolarHBondContact O-N 3.26Å | ||
| 185 | A | 26 | Very low | 25.6 | Very low | 93 Ų | 93 | 135.7 Ų | 135.7 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -68.4 | 99 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D183 L187 | D183-A185 VanDerWaalsContact C-N 3.32Å; D183-A185 PolarHBondContact O-N 2.86Å; A185-L187 PolarHBondContact O-N 3.48Å; A185-L187 VanDerWaalsContact O-N 3.15Å | ||
| 186 | Y | 23.6 | Very low | 25.3 | Very low | 226 Ų | 226 | 137.3 Ų | 137.3 | 89% | 0.886 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 117.2 | 169.9 | -99.2 | -103.8 | 0 | 0 | 0 | 111.1 | C184 P188 | C184-Y186 PolarHBondContact O-N 3.26Å; Y186-P188 WeakPolarHBondContact O-CD 3.39Å |
| 187 | L | 23.2 | Very low | 25.2 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 118.1 | 167.5 | -79.3 | 167.1 | 0 | 0 | 0 | 108.7 | A185 T189 | A185-L187 PolarHBondContact O-N 3.48Å; A185-L187 VanDerWaalsContact O-N 3.15Å; L187-T189 PolarHBondContact O-N 3.02Å |
| 188 | P | 26.1 | Very low | 25.1 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 121.7 | 176.2 | 27.2 | -33.1 | 0 | 0 | 0 | 109.4 | Y186 K190 | Y186-P188 WeakPolarHBondContact O-CD 3.39Å; P188-K190 PolarHBondContact O-N 3.19Å |
| 189 | T | 27.6 | Very low | 24.9 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 135 | 179 | 43.2 | 0 | 0 | 0 | 0 | 111 | L187 A191 | L187-T189 PolarHBondContact O-N 3.02Å; T189-A191 PolarHBondContact O-N 2.81Å |
| 190 | K | 25.3 | Very low | 24.7 | Very low | 148 Ų | 148 | 145.4 Ų | 145.4 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | trans | -56.2 | 112.6 | 170.5 | -76.2 | 179.4 | 173.5 | 179.2 | 0 | 108.5 | P188 Y192 E471 | P188-K190 PolarHBondContact O-N 3.19Å; K190-Y192 PolarHBondContact O-N 3.1Å; K190-Y192 VanDerWaalsContact O-N 3.08Å; K190-E471 IonicContact NZ-OE2 2.69Å; K190-E471 PolarHBondContact NZ-OE2 2.91Å | ||
| 191 | A | 26.3 | Very low | 24.7 | Very low | 97 Ų | 97 | 145.4 Ų | 145.4 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -59.1 | 115.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | T189 G193 | T189-A191 PolarHBondContact O-N 2.81Å; A191-G193 PolarHBondContact O-N 3.39Å; A191-G193 VanDerWaalsContact O-N 3.16Å | ||
| 192 | Y | 26.9 | Very low | 24.6 | Very low | 229 Ų | 229 | 146.9 Ų | 146.9 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | trans | -62.8 | 116.7 | 167.8 | -95.8 | -97.1 | 0 | 0 | 0 | 107.7 | K190 S194 | K190-Y192 PolarHBondContact O-N 3.1Å; K190-Y192 VanDerWaalsContact O-N 3.08Å; Y192-S194 PolarHBondContact O-N 2.96Å; Y192-S194 VanDerWaalsContact O-N 3.08Å | ||
| 193 | G | 25.1 | Very low | 24.6 | Very low | 65 Ų | 65 | 146.8 Ų | 146.8 | 67% | 0.67 | 81% | 0.806 | S | S | * | * | trans | -64.4 | 111.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | A191 A195 | A191-G193 PolarHBondContact O-N 3.39Å; A191-G193 VanDerWaalsContact O-N 3.16Å; G193-A195 WeakPolarHBondContact O-CB 3.19Å; G193-A195 PolarHBondContact O-N 3.42Å | ||
| 194 | S | 25 | Very low | 24.6 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -51.4 | 113.9 | 170 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | Y192 | Y192-S194 PolarHBondContact O-N 2.96Å; Y192-S194 VanDerWaalsContact O-N 3.08Å | ||
| 195 | A | 24.4 | Very low | 24.6 | Very low | 91 Ų | 91 | 149.1 Ų | 149.1 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -140.5 | 33.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G193 | G193-A195 WeakPolarHBondContact O-CB 3.19Å; G193-A195 PolarHBondContact O-N 3.42Å | ||
| 196 | C | 22.4 | Very low | 24.6 | Very low | 107 Ų | 107 | 149.1 Ų | 149.1 | 72% | 0.723 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -154.2 | 165.3 | 163.1 | -95.9 | 0 | 0 | 0 | 0 | 109.5 | ||
| 197 | I | 24.4 | Very low | 24.7 | Very low | 169 Ų | 169 | 143.6 Ų | 143.6 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | 67.2 | 57.3 | -178 | -38.1 | 177.7 | 0 | 0 | 0 | 113.6 | ||||
| 198 | D | 22.5 | Very low | 24.7 | Very low | 160 Ų | 160 | 140.5 Ų | 140.5 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -125 | 66.2 | 155.6 | -163.6 | 4.5 | 0 | 0 | 0 | 109.7 | ||||
| 199 | K | 24.5 | Very low | 24.7 | Very low | 185 Ų | 185 | 137.7 Ų | 137.7 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 175.8 | 85.7 | 163.6 | -102.7 | 167.9 | -176.7 | -177.5 | 0 | 111.8 | ||||
| 200 | Y | 23.4 | Very low | 24.8 | Very low | 248 Ų | 248 | 137 Ų | 137 | 97% | 0.973 | 79% | 0.789 | S | S | * | * | trans | -148.8 | 53.6 | 138.2 | -104.5 | -64.6 | 0 | 0 | 0 | 110.6 | ||||
| 201 | R | 23.1 | Very low | 24.7 | Very low | 229 Ų | 229 | 135.3 Ų | 135.3 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -103.8 | 97.7 | 170.4 | -177.2 | -178 | -174 | 160.2 | 5.6 | 109 | ||||
| 202 | N | 24.3 | Very low | 24.6 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | trans | -176.6 | 128.6 | 131.4 | -94.9 | -13.2 | 0 | 0 | 0 | 113.9 | ||||
| 203 | A | 24.6 | Very low | 24.6 | Very low | 106 Ų | 106 | 133.2 Ų | 133.2 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | trans | 43.8 | 119.5 | 137.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 204 | G | 25 | Very low | 24.4 | Very low | 74 Ų | 74 | 134.7 Ų | 134.7 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | trans | -160.7 | 50.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A206 | G204-A206 VanDerWaalsContact C-N 3.3Å; G204-A206 PolarHBondContact O-N 3.2Å | ||
| 205 | R | 24 | Very low | 24.4 | Very low | 229 Ų | 229 | 135.6 Ų | 135.6 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -70.7 | 76.1 | -173.2 | -170 | -164.3 | -165.7 | -144.3 | 7.3 | 112.4 | T207 | R205-T207 HydrophobicContact CG-CG2 4.16Å; R205-T207 PolarHBondContact O-N 2.78Å | ||
| 206 | A | 24.3 | Very low | 24.3 | Very low | 93 Ų | 93 | 138.1 Ų | 138.1 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -90.5 | 87.9 | 168 | 0 | 0 | 0 | 0 | 0 | 109.8 | G204 A208 | G204-A206 VanDerWaalsContact C-N 3.3Å; G204-A206 PolarHBondContact O-N 3.2Å; A206-A208 PolarHBondContact O-N 2.89Å | ||
| 207 | T | 26.2 | Very low | 24.4 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | trans | -73.8 | 72.7 | 171.2 | 49.7 | 0 | 0 | 0 | 0 | 110.5 | R205 G209 | R205-T207 HydrophobicContact CG-CG2 4.16Å; R205-T207 PolarHBondContact O-N 2.78Å; T207-G209 PolarHBondContact O-N 2.92Å | ||
| 208 | A | 24 | Very low | 24.5 | Very low | 93 Ų | 93 | 139.5 Ų | 139.5 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 126.3 | 153.1 | 0 | 0 | 0 | 0 | 0 | 107 | A206 | A206-A208 PolarHBondContact O-N 2.89Š|
| 209 | G | 25.1 | Very low | 24.5 | Very low | 62 Ų | 62 | 136.1 Ų | 136.1 | 64% | 0.639 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 151.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | T207 | T207-G209 PolarHBondContact O-N 2.92Š|
| 210 | P | 29.6 | Very low | 24.6 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 148.3 | 178.4 | 25.5 | -34.6 | 0 | 0 | 0 | 110.3 | ||
| 211 | P | 24.1 | Very low | 24.6 | Very low | 114 Ų | 114 | 131 Ų | 131 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 136.3 | 171.9 | 25.8 | -34.1 | 0 | 0 | 0 | 108.1 | L213 | P211-L213 PolarHBondContact O-N 3.45Š|
| 212 | P | 24.9 | Very low | 24.6 | Very low | 120 Ų | 120 | 125.8 Ų | 125.8 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -67.4 | 100.6 | -176.6 | 27.4 | -33.6 | 0 | 0 | 0 | 109.1 | S214 | P212-S214 PolarHBondContact O-N 3.25Š| ||
| 213 | L | 25.2 | Very low | 24.6 | Very low | 162 Ų | 162 | 123.1 Ų | 123.1 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | -54.3 | 100.6 | 150.6 | -84.9 | 172.7 | 0 | 0 | 0 | 105.7 | P211 T215 | P211-L213 PolarHBondContact O-N 3.45Å; L213-T215 VanDerWaalsContact C-N 3.26Å; L213-T215 PolarHBondContact O-N 3.33Å | ||
| 214 | S | 21.7 | Very low | 24.7 | Very low | 96 Ų | 96 | 127.7 Ų | 127.7 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | trans | -70.6 | 92 | 178.6 | 33.4 | 0 | 0 | 0 | 0 | 106.8 | P212 L216 | P212-S214 PolarHBondContact O-N 3.25Å; S214-L216 PolarHBondContact O-N 2.86Å | ||
| 215 | T | 25 | Very low | 24.6 | Very low | 137 Ų | 137 | 127.9 Ų | 127.9 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | -64.1 | 72.1 | 166.7 | 39.9 | 0 | 0 | 0 | 0 | 108.9 | L213 T217 | L213-T215 VanDerWaalsContact C-N 3.26Å; L213-T215 PolarHBondContact O-N 3.33Å; T215-T217 PolarHBondContact O-N 3.26Å | ||
| 216 | L | 22.8 | Very low | 24.5 | Very low | 145 Ų | 145 | 123.5 Ų | 123.5 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | -72.4 | 79 | 172 | -90.3 | 173.6 | 0 | 0 | 0 | 109.3 | S214 | S214-L216 PolarHBondContact O-N 2.86Š| ||
| 217 | T | 23.7 | Very low | 24.4 | Very low | 99 Ų | 99 | 128.6 Ų | 128.6 | 61% | 0.607 | 76% | 0.76 | S | S | * | * | trans | 60.4 | 96.9 | 144.4 | 56.8 | 0 | 0 | 0 | 0 | 115.8 | T215 S219 | T215-T217 PolarHBondContact O-N 3.26Å; T217-S219 PolarHBondContact O-N 3.1Å | ||
| 218 | E | 26 | Very low | 24.4 | Very low | 205 Ų | 205 | 128.9 Ų | 128.9 | 96% | 0.958 | 77% | 0.767 | S | S | * | * | -39.6 | 125 | 120.8 | -63.5 | -177.8 | 150.8 | 0 | 0 | 108.9 | |||||
| 219 | S | 23.1 | Very low | 24.4 | Very low | 89 Ų | 89 | 130 Ų | 130 | 62% | 0.622 | 76% | 0.759 | S | S | * | * | trans | -137.3 | 102.3 | 177.8 | 129 | 0 | 0 | 0 | 0 | 110.5 | T217 | T217-S219 PolarHBondContact O-N 3.1Š| ||
| 220 | K | 25.7 | Very low | 24.4 | Very low | 187 Ų | 187 | 134.5 Ų | 134.5 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | 68.1 | 81.6 | 156.6 | -59.1 | 170.5 | -174.1 | 170 | 0 | 116 | S222 | K220-S222 PolarHBondContact O-N 3.36Å; K220-S222 VanDerWaalsContact O-N 3.16Å | ||
| 221 | T | 23.4 | Very low | 24.1 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | -34.6 | 112.1 | 128.3 | 38.2 | 0 | 0 | 0 | 0 | 112 | A223 | T221-A223 PolarHBondContact O-N 3.05Å; T221-A223 VanDerWaalsContact O-N 3.17Å | |||
| 222 | S | 24.7 | Very low | 24.1 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | trans | -79.6 | 86.8 | 163.1 | 54.5 | 0 | 0 | 0 | 0 | 108.7 | K220 E224 | K220-S222 PolarHBondContact O-N 3.36Å; K220-S222 VanDerWaalsContact O-N 3.16Å; S222-E224 PolarHBondContact O-N 2.84Å | ||
| 223 | A | 23.2 | Very low | 24 | Very low | 90 Ų | 90 | 131.6 Ų | 131.6 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | trans | -76.2 | 104 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T221 | T221-A223 PolarHBondContact O-N 3.05Å; T221-A223 VanDerWaalsContact O-N 3.17Å | ||
| 224 | E | 26.4 | Very low | 24 | Very low | 201 Ų | 201 | 130.8 Ų | 130.8 | 94% | 0.939 | 77% | 0.77 | S | S | * | * | trans | -90.4 | 97.5 | 153.1 | -75.2 | -154.6 | 131.2 | 0 | 0 | 109.6 | S222 | S222-E224 PolarHBondContact O-N 2.84Š| ||
| 225 | A | 24.2 | Very low | 24.1 | Very low | 78 Ų | 78 | 136.9 Ų | 136.9 | 65% | 0.645 | 78% | 0.778 | S | S | * | * | trans | -85.2 | 143.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 226 | L | 21.9 | Very low | 24.7 | Very low | 138 Ų | 138 | 135 Ų | 135 | 72% | 0.723 | 77% | 0.769 | S | S | * | * | 170.9 | 113.2 | 109.9 | -87.1 | 169.5 | 0 | 0 | 0 | 113.1 | |||||
| 227 | R | 21.8 | Very low | 24.6 | Very low | 199 Ų | 199 | 132.5 Ų | 132.5 | 75% | 0.751 | 76% | 0.763 | S | S | * | * | trans | 35.6 | 116.4 | 131 | -53.2 | 175.9 | -163 | -167.9 | 3.4 | 119 | I229 | R227-I229 HydrophobicContact CB-CD1 3.97Å; R227-I229 HydrophobicContact CB-CG1 4.4Å; R227-I229 HydrophobicContact CG-CD1 4.26Å | ||
| 228 | S | 26.2 | Very low | 24.6 | Very low | 116 Ų | 116 | 136 Ų | 136 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | -153.4 | 130.2 | 101.3 | -77.2 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 229 | I | 23.3 | Very low | 24.5 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 60% | 0.595 | 77% | 0.767 | S | S | * | * | cis | 82.1 | 122 | 43.5 | -63.2 | 175 | 0 | 0 | 0 | 112.3 | R227 | R227-I229 HydrophobicContact CB-CD1 3.97Å; R227-I229 HydrophobicContact CB-CG1 4.4Å; R227-I229 HydrophobicContact CG-CD1 4.26Å | ||
| 230 | N | 25.2 | Very low | 24.6 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | trans | 65 | 127.2 | -179.2 | -53.9 | -24.5 | 0 | 0 | 0 | 114.5 | ||||
| 231 | G | 22.7 | Very low | 24.5 | Very low | 82 Ų | 82 | 130.1 Ų | 130.1 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | cis | 119.9 | 104.3 | 9.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 232 | G | 25.6 | Very low | 24.5 | Very low | 81 Ų | 81 | 132.6 Ų | 132.6 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | -170 | 78.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 233 | E | 21.9 | Very low | 24.5 | Very low | 126 Ų | 126 | 132 Ų | 132 | 59% | 0.589 | 76% | 0.764 | S | S | * | * | trans | -89.2 | 132.2 | 170.8 | -72.2 | 172.2 | -155.1 | 0 | 0 | 110.6 | R1242 | E233-R1242 IonicContact OE1-CZ 3.28Å; E233-R1242 IonicContact OE1-NH1 2.67Å; E233-R1242 PolarHBondContact OE1-NH1 2.91Å; E233-R1242 IonicContact OE1-NH2 3.55Å; E233-R1242 PolarHBondContact OE1-NH2 3.32Å; E233-R1242 IonicContact OE2-CZ 2.93Å; E233-R1242 IonicContact OE2-NE 3.91Å; E233-R1242 IonicContact OE2-NH1 3.86Å; E233-R1242 PolarHBondContact OE2-NH1 3.5Å; E233-R1242 IonicContact OE2-NH2 3.57Å; E233-R1242 PolarHBondContact OE2-NH2 3.47Å; E233-R1242 VanDerWaalsContact OE2-NH2 3.13Å | ||
| 234 | T | 24.3 | Very low | 24.4 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | trans | -159.6 | 123.1 | 139 | -1.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 235 | R | 24.1 | Very low | 24.3 | Very low | 224 Ų | 224 | 130.2 Ų | 130.2 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | trans | -80.8 | 175.5 | 152.6 | -105.4 | -175.6 | 168.1 | -179.6 | -2.8 | 108.3 | ||||
| 236 | P | 37.9 | Very low | 24.1 | Very low | 99 Ų | 99 | 132 Ų | 132 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | cis | -142.3 | -174.9 | -25.1 | 34.4 | -13.3 | 0 | 0 | 0 | 114.6 | ||||
| 237 | S | 21.8 | Very low | 24.2 | Very low | 92 Ų | 92 | 134.8 Ų | 134.8 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | trans | 68.5 | 121.6 | 137.1 | 66 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 238 | L | 22.6 | Very low | 24.2 | Very low | 171 Ų | 171 | 128.7 Ų | 128.7 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | 51.2 | 124.4 | 123.5 | -58.6 | 169.1 | 0 | 0 | 0 | 120.8 | |||||
| 239 | S | 24.5 | Very low | 24 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | -170.9 | 176.9 | 128.5 | 60.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 240 | S | 25.1 | Very low | 24.1 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | 71.4 | 92.4 | 166.4 | -54.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 241 | I | 23.9 | Very low | 24 | Very low | 152 Ų | 152 | 125.6 Ų | 125.6 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | cis | 71.8 | 117.5 | 44.1 | -47.8 | 159.8 | 0 | 0 | 0 | 114 | ||||
| 242 | K | 24.1 | Very low | 24.1 | Very low | 191 Ų | 191 | 129.9 Ų | 129.9 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | trans | -171 | 164.8 | 136.7 | -106 | 155.6 | -173 | 172.5 | 0 | 112.9 | ||||
| 243 | S | 23.4 | Very low | 24 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | trans | 48.4 | 99.8 | 177 | 47.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 244 | V | 22.1 | Very low | 24.2 | Very low | 127 Ų | 127 | 132 Ų | 132 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | cis | 60.9 | 101.3 | 34.8 | -166.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 245 | S | 23.1 | Very low | 25.1 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | -143.9 | 127.7 | 149.3 | -175.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 246 | T | 21.1 | Very low | 25 | Very low | 116 Ų | 116 | 125.3 Ų | 125.3 | 71% | 0.712 | 74% | 0.744 | S | S | * | * | trans | -132 | 135.4 | -170.1 | 48.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 247 | K | 22.7 | Very low | 24.3 | Very low | 196 Ų | 196 | 131.4 Ų | 131.4 | 85% | 0.852 | 76% | 0.755 | S | S | * | * | trans | -173 | 117.3 | 163.6 | -104.4 | 160.1 | -178 | -176.5 | 0 | 107.6 | ||||
| 248 | S | 21.9 | Very low | 24.4 | Very low | 71 Ų | 71 | 135.2 Ų | 135.2 | 50% | 0.497 | 77% | 0.767 | S | S | . | * | 68.7 | 139.3 | 86.2 | 74 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 249 | H | 23.5 | Very low | 24.4 | Very low | 150 Ų | 150 | 131.9 Ų | 131.9 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | cis | -163.2 | 120.3 | -5.1 | -111 | -55.2 | 0 | 0 | 0 | 105.9 | ||||
| 250 | S | 24.1 | Very low | 24.4 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | 64.7 | 109.9 | 104.2 | 70.1 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 251 | G | 24.2 | Very low | 24.2 | Very low | 68 Ų | 68 | 129.6 Ų | 129.6 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | -167.1 | 121.3 | 154.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 252 | K | 24.2 | Very low | 24.2 | Very low | 172 Ų | 172 | 127.4 Ų | 127.4 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | 69.5 | 131.1 | 58.6 | -73 | 178.4 | 156.1 | -83.2 | 0 | 112 | |||||
| 253 | E | 23.1 | Very low | 24.2 | Very low | 159 Ų | 159 | 123.6 Ų | 123.6 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | cis | -152.3 | -178.5 | -1.7 | -143.8 | 134.2 | -146.8 | 0 | 0 | 111.4 | ||||
| 254 | A | 27.5 | Very low | 24 | Very low | 91 Ų | 91 | 126.3 Ų | 126.3 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | -111.2 | -135.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 255 | P | 43.2 | Very low | 24.2 | Very low | 115 Ų | 115 | 125.2 Ų | 125.2 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | -122.6 | 153.9 | -124.6 | 37.1 | -19.6 | 0 | 0 | 0 | 116.9 | |||||
| 256 | S | 22.2 | Very low | 24.3 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -113 | 125.6 | 160.1 | 53 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 257 | R | 22.1 | Very low | 24.5 | Very low | 228 Ų | 228 | 128.9 Ų | 128.9 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | cis | 63.6 | 74.3 | 35.1 | -68.8 | -168.4 | 167.9 | -162.1 | 0.6 | 115.5 | ||||
| 258 | L | 23.4 | Very low | 24.7 | Very low | 171 Ų | 171 | 127.3 Ų | 127.3 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | trans | -131.3 | 127.7 | 139.6 | -65.5 | 174.3 | 0 | 0 | 0 | 106.3 | ||||
| 259 | A | 23.1 | Very low | 24.9 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | cis | 83.6 | 63 | 21 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 260 | G | 24.4 | Very low | 25.1 | Very low | 82 Ų | 82 | 131.6 Ų | 131.6 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | -169.5 | 150.3 | 162 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 261 | G | 22 | Very low | 25.4 | Very low | 75 Ų | 75 | 132.5 Ų | 132.5 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | cis | 149 | 100 | -6.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 262 | A | 22.9 | Very low | 26.3 | Very low | 106 Ų | 106 | 131.5 Ų | 131.5 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | trans | 63.7 | 166.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 263 | S | 24 | Very low | 26.9 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | cis | -135.6 | 163.3 | 1 | 62.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 264 | M | 20.2 | Very low | 27.6 | Very low | 166 Ų | 166 | 127 Ų | 127 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 130.9 | 174.3 | -77.8 | -168.1 | 70.2 | 0 | 0 | 111.9 | ||
| 265 | P | 24.8 | Very low | 28 | Very low | 104 Ų | 104 | 124.4 Ų | 124.4 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 124.9 | 154.8 | 32.5 | -28.4 | 0 | 0 | 0 | 109.9 | ||
| 266 | V | 25.3 | Very low | 28.3 | Very low | 127 Ų | 127 | 122.7 Ų | 122.7 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -85 | 116.2 | 171.6 | 175.9 | 0 | 0 | 0 | 0 | 108.8 | ||
| 267 | F | 26.5 | Very low | 29.4 | Very low | 190 Ų | 190 | 121.8 Ų | 121.8 | 83% | 0.833 | 73% | 0.733 | S | S | * | * | trans | -135.2 | 157.9 | 166.7 | -96.8 | -82.3 | 0 | 0 | 0 | 111.9 | ||||
| 268 | L | 26.7 | Very low | 30.1 | Very low | 163 Ų | 163 | 116 Ų | 116 | 85% | 0.853 | 72% | 0.719 | S | S | * | * | trans | -76.3 | 155.6 | -158.9 | -70.1 | 156.6 | 0 | 0 | 0 | 114 | L270 | L268-L270 PolarHBondContact O-N 2.95Š| ||
| 269 | N | 26.4 | Very low | 31.3 | Very low | 168 Ų | 168 | 113.3 Ų | 113.3 | 90% | 0.898 | 70% | 0.701 | S | S | * | * | trans | -58.2 | 104.6 | -177.5 | -73.1 | -39.5 | 0 | 0 | 0 | 113 | ||||
| 270 | L | 27.7 | Very low | 32.6 | Very low | 144 Ų | 144 | 113 Ų | 113 | 75% | 0.754 | 69% | 0.685 | S | S | * | * | trans | -113.1 | 115.6 | 156.6 | -76.3 | 168.9 | 0 | 0 | 0 | 108.4 | L268 A275 | L268-L270 PolarHBondContact O-N 2.95Å; L270-A275 HydrophobicContact CB-CB 4.46Å; L270-A275 WeakPolarHBondContact O-CB 3.41Å | ||
| 271 | S | 29.1 | Very low | 33.2 | Very low | 127 Ų | 127 | 113.9 Ų | 113.9 | 89% | 0.888 | 67% | 0.67 | S | S | * | * | trans | -106.2 | 113.2 | -177.2 | 58.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 272 | G | 43.2 | Very low | 34.1 | Very low | 47 Ų | 47 | 113 Ų | 113 | 49% | 0.485 | 65% | 0.652 | S | S | . | * | S | Bend | trans | 158.3 | 176 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V274 A275 | G272-V274 PolarHBondContact O-N 3.24Å; G272-A275 PolarHBondContact O-N 3.43Å |
| 273 | E | 37.5 | Very low | 35 | Very low | 126 Ų | 126 | 111.3 Ų | 111.3 | 59% | 0.589 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -53.2 | -37.1 | 179.1 | -71.6 | -176 | 117 | 0 | 0 | 112 | A275 T276 D277 K1189 | E273-A275 PolarHBondContact O-N 3.28Å; E273-T276 WeakPolarHBondContact CA-OG1 3.46Å; E273-T276 PolarHBondContact O-N 3.36Å; E273-T276 PolarHBondContact O-OG1 3.35Å; E273-D277 PolarHBondContact O-N 3.19Å; E273-K1189 IonicContact OE1-NZ 2.62Å; E273-K1189 PolarHBondContact OE1-NZ 3.37Å |
| 274 | V | 36.5 | Very low | 35.8 | Very low | 109 Ų | 109 | 109.4 Ų | 109.4 | 66% | 0.661 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -56.8 | -34.9 | 177.9 | -174.4 | 0 | 0 | 0 | 0 | 112.9 | G272 L278 | G272-V274 PolarHBondContact O-N 3.24Å; V274-L278 HydrophobicContact CG1-CD1 4.32Å; V274-L278 WeakPolarHBondContact O-CB 3.46Å; V274-L278 PolarHBondContact O-N 3.1Å |
| 275 | A | 36.1 | Very low | 36.1 | Very low | 37 Ų | 37 | 107.1 Ų | 107.1 | 31% | 0.306 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -76.2 | -35.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L270 G272 E273 H279 | L270-A275 HydrophobicContact CB-CB 4.46Å; L270-A275 WeakPolarHBondContact O-CB 3.41Å; G272-A275 PolarHBondContact O-N 3.43Å; E273-A275 PolarHBondContact O-N 3.28Å; A275-H279 WeakPolarHBondContact O-CB 3.45Å; A275-H279 PolarHBondContact O-N 3.05Å |
| 276 | T | 49.8 | Very low | 36.6 | Very low | 79 Ų | 79 | 111 Ų | 111 | 49% | 0.485 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.2 | -37 | 171 | 40.7 | 0 | 0 | 0 | 0 | 111.7 | E273 H279 N280 | E273-T276 WeakPolarHBondContact CA-OG1 3.46Å; E273-T276 PolarHBondContact O-N 3.36Å; E273-T276 PolarHBondContact O-OG1 3.35Å; T276-H279 PolarHBondContact O-N 2.82Å; T276-N280 WeakPolarHBondContact O-CB 3.48Å; T276-N280 PolarHBondContact O-N 3.1Å; T276-N280 PolarHBondContact O-ND2 2.8Å; T276-N280 VanDerWaalsContact O-ND2 3.11Å |
| 277 | D | 45.6 | Very low | 37.2 | Very low | 96 Ų | 96 | 109.2 Ų | 109.2 | 51% | 0.513 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -72.2 | -39.3 | 179.7 | -67.1 | -24.1 | 0 | 0 | 0 | 112 | E273 H279 N280 L281 | E273-D277 PolarHBondContact O-N 3.19Å; D277-H279 VanDerWaalsContact C-N 3.33Å; D277-H279 PolarHBondContact O-N 2.97Å; D277-N280 PolarHBondContact O-N 3.48Å; D277-L281 WeakPolarHBondContact O-CB 3.46Å; D277-L281 PolarHBondContact O-N 3.02Å |
| 278 | L | 37.6 | Very low | 37.4 | Very low | 106 Ų | 106 | 104.3 Ų | 104.3 | 56% | 0.555 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.5 | -37.5 | 169.1 | -85.6 | 165.2 | 0 | 0 | 0 | 112.6 | V274 L281 S282 | V274-L278 HydrophobicContact CG1-CD1 4.32Å; V274-L278 WeakPolarHBondContact O-CB 3.46Å; V274-L278 PolarHBondContact O-N 3.1Å; L278-L281 PolarHBondContact O-N 3.24Å; L278-S282 WeakPolarHBondContact O-CB 3.46Å; L278-S282 PolarHBondContact O-N 3.25Å |
| 279 | H | 48.4 | Very low | 37.4 | Very low | 115 Ų | 115 | 104.6 Ų | 104.6 | 53% | 0.532 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.5 | -41.7 | 175 | -171.5 | 56.1 | 0 | 0 | 0 | 111.9 | A275 T276 D277 L281 S282 N283 | A275-H279 WeakPolarHBondContact O-CB 3.45Å; A275-H279 PolarHBondContact O-N 3.05Å; T276-H279 PolarHBondContact O-N 2.82Å; D277-H279 VanDerWaalsContact C-N 3.33Å; D277-H279 PolarHBondContact O-N 2.97Å; H279-L281 PolarHBondContact O-N 3.45Å; H279-S282 PolarHBondContact O-N 3.07Å; H279-N283 PolarHBondContact CD2-ND2 3.43Å; H279-N283 VanDerWaalsContact CD2-ND2 3.32Å; H279-N283 PolarHBondContact CE1-ND2 3.49Å; H279-N283 PolarHBondContact CE1-OD1 3.19Å; H279-N283 PolarHBondContact NE2-ND2 2.9Å; H279-N283 WeakPolarHBondContact O-CB 3.45Å; H279-N283 PolarHBondContact O-N 3.02Å; H279-N283 PolarHBondContact O-ND2 3.04Å |
| 280 | N | 49.1 | Very low | 37.5 | Very low | 94 Ų | 94 | 100.7 Ų | 100.7 | 50% | 0.503 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.2 | -43.8 | 173.5 | -69.6 | -29.6 | 0 | 0 | 0 | 111.5 | T276 D277 N283 S284 | T276-N280 WeakPolarHBondContact O-CB 3.48Å; T276-N280 PolarHBondContact O-N 3.1Å; T276-N280 PolarHBondContact O-ND2 2.8Å; T276-N280 VanDerWaalsContact O-ND2 3.11Å; D277-N280 PolarHBondContact O-N 3.48Å; N280-N283 PolarHBondContact O-N 2.97Å; N280-S284 WeakPolarHBondContact O-CB 3.39Å; N280-S284 PolarHBondContact O-N 3.36Å |
| 281 | L | 38.9 | Very low | 37.4 | Very low | 102 Ų | 102 | 99.8 Ų | 99.8 | 53% | 0.534 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.9 | -43.1 | 177 | -169.4 | 66.9 | 0 | 0 | 0 | 111.8 | D277 L278 H279 S284 M285 | D277-L281 WeakPolarHBondContact O-CB 3.46Å; D277-L281 PolarHBondContact O-N 3.02Å; L278-L281 PolarHBondContact O-N 3.24Å; H279-L281 PolarHBondContact O-N 3.45Å; L281-S284 WeakPolarHBondContact O-CB 3.4Å; L281-S284 PolarHBondContact O-N 2.82Å; L281-M285 WeakPolarHBondContact O-CG 3.46Å; L281-M285 PolarHBondContact O-N 3.2Å |
| 282 | S | 40.1 | Very low | 37.3 | Very low | 56 Ų | 56 | 99.2 Ų | 99.2 | 39% | 0.392 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.9 | -39.9 | 175.6 | -172.1 | 0 | 0 | 0 | 0 | 112.5 | L278 H279 S284 M285 R286 | L278-S282 WeakPolarHBondContact O-CB 3.46Å; L278-S282 PolarHBondContact O-N 3.25Å; H279-S282 PolarHBondContact O-N 3.07Å; S282-S284 VanDerWaalsContact C-N 3.35Å; S282-M285 PolarHBondContact O-N 3.44Å; S282-R286 WeakPolarHBondContact O-CG 3.34Å; S282-R286 PolarHBondContact O-N 3.26Å |
| 283 | N | 41.5 | Very low | 36.3 | Very low | 71 Ų | 71 | 102.2 Ų | 102.2 | 38% | 0.38 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.3 | -34.6 | 174.1 | -68.1 | -21.4 | 0 | 0 | 0 | 111.7 | H279 N280 R286 S287 | H279-N283 PolarHBondContact CD2-ND2 3.43Å; H279-N283 VanDerWaalsContact CD2-ND2 3.32Å; H279-N283 PolarHBondContact CE1-ND2 3.49Å; H279-N283 PolarHBondContact CE1-OD1 3.19Å; H279-N283 PolarHBondContact NE2-ND2 2.9Å; H279-N283 WeakPolarHBondContact O-CB 3.45Å; H279-N283 PolarHBondContact O-N 3.02Å; H279-N283 PolarHBondContact O-ND2 3.04Å; N280-N283 PolarHBondContact O-N 2.97Å; N283-R286 PolarHBondContact O-N 3.16Å; N283-S287 WeakPolarHBondContact O-CB 3.34Å; N283-S287 PolarHBondContact O-N 3.17Å; N283-S287 VanDerWaalsContact O-N 3.09Å |
| 284 | S | 40.3 | Very low | 35.7 | Very low | 71 Ų | 71 | 103.8 Ų | 103.8 | 50% | 0.497 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.3 | -47.5 | 173.3 | -164.3 | 0 | 0 | 0 | 0 | 111.4 | N280 L281 S282 R286 S287 S288 | N280-S284 WeakPolarHBondContact O-CB 3.39Å; N280-S284 PolarHBondContact O-N 3.36Å; L281-S284 WeakPolarHBondContact O-CB 3.4Å; L281-S284 PolarHBondContact O-N 2.82Å; S282-S284 VanDerWaalsContact C-N 3.35Å; S284-R286 VanDerWaalsContact C-N 3.32Å; S284-R286 PolarHBondContact O-N 2.95Å; S284-S287 PolarHBondContact O-N 3.47Å; S284-S287 PolarHBondContact O-OG 3.46Å; S284-S288 PolarHBondContact O-N 2.71Å |
| 285 | M | 27 | Very low | 35 | Very low | 118 Ų | 118 | 104.1 Ų | 104.1 | 58% | 0.581 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -57 | -43.6 | 174.4 | -69.1 | -77.6 | -159 | 0 | 0 | 111.9 | L281 S282 S287 S288 | L281-M285 WeakPolarHBondContact O-CG 3.46Å; L281-M285 PolarHBondContact O-N 3.2Å; S282-M285 PolarHBondContact O-N 3.44Å; M285-S287 PolarHBondContact O-N 2.97Å; M285-S288 PolarHBondContact O-N 3.34Å; M285-S288 PolarHBondContact O-OG 2.73Å |
| 286 | R | 35.3 | Very low | 34.5 | Very low | 184 Ų | 184 | 107.1 Ų | 107.1 | 69% | 0.694 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.2 | -14.1 | 175.7 | -72.9 | 178.5 | 176.4 | -79.4 | -0.9 | 114.2 | S282 N283 S284 | S282-R286 WeakPolarHBondContact O-CG 3.34Å; S282-R286 PolarHBondContact O-N 3.26Å; N283-R286 PolarHBondContact O-N 3.16Å; S284-R286 VanDerWaalsContact C-N 3.32Å; S284-R286 PolarHBondContact O-N 2.95Å |
| 287 | S | 38.6 | Very low | 33.4 | Very low | 91 Ų | 91 | 110.7 Ų | 110.7 | 64% | 0.636 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -91.4 | -9.7 | 178.9 | 73.8 | 0 | 0 | 0 | 0 | 114.2 | N283 S284 M285 | N283-S287 WeakPolarHBondContact O-CB 3.34Å; N283-S287 PolarHBondContact O-N 3.17Å; N283-S287 VanDerWaalsContact O-N 3.09Å; S284-S287 PolarHBondContact O-N 3.47Å; S284-S287 PolarHBondContact O-OG 3.46Å; M285-S287 PolarHBondContact O-N 2.97Å |
| 288 | S | 29.9 | Very low | 32.6 | Very low | 87 Ų | 87 | 111.7 Ų | 111.7 | 61% | 0.608 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -90.2 | -14.6 | 175.4 | 32.7 | 0 | 0 | 0 | 0 | 114.6 | S284 M285 S290 | S284-S288 PolarHBondContact O-N 2.71Å; M285-S288 PolarHBondContact O-N 3.34Å; M285-S288 PolarHBondContact O-OG 2.73Å; S288-S290 PolarHBondContact O-N 2.77Å |
| 289 | E | 26.7 | Very low | 32 | Very low | 168 Ų | 168 | 113 Ų | 113 | 79% | 0.785 | 66% | 0.657 | S | S | * | * | trans | -80.7 | 68.2 | 172.7 | -70.5 | -179.4 | 175.1 | 0 | 0 | 111 | ||||
| 290 | S | 27.6 | Very low | 31 | Very low | 86 Ų | 86 | 115.6 Ų | 115.6 | 60% | 0.601 | 67% | 0.674 | S | S | * | * | trans | -67.2 | 127.8 | 167.6 | 55.8 | 0 | 0 | 0 | 0 | 109.9 | S288 V292 | S288-S290 PolarHBondContact O-N 2.77Å; S290-V292 PolarHBondContact O-N 3.2Å | ||
| 291 | P | 26.1 | Very low | 30.1 | Very low | 126 Ų | 126 | 115 Ų | 115 | 82% | 0.818 | 68% | 0.683 | S | S | * | * | trans | -72.7 | 97.8 | -174 | 28.7 | -34.9 | 0 | 0 | 0 | 111.3 | S293 | P291-S293 PolarHBondContact O-N 2.96Å; P291-S293 VanDerWaalsContact O-N 3.11Å | ||
| 292 | V | 27 | Very low | 29.7 | Very low | 114 Ų | 114 | 116.6 Ų | 116.6 | 69% | 0.691 | 70% | 0.697 | S | S | * | * | trans | -73.4 | 102.3 | 174.3 | -169.7 | 0 | 0 | 0 | 0 | 108.9 | S290 L294 | S290-V292 PolarHBondContact O-N 3.2Å; V292-L294 VanDerWaalsContact C-N 3.31Å; V292-L294 HydrophobicContact CG1-CD2 4.31Å; V292-L294 HydrophobicContact CG1-CG 4.03Å; V292-L294 PolarHBondContact O-N 3Å | ||
| 293 | S | 22.3 | Very low | 29.4 | Very low | 110 Ų | 110 | 118.9 Ų | 118.9 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | trans | -80.2 | 75 | 177.8 | 39.8 | 0 | 0 | 0 | 0 | 111.1 | P291 T295 | P291-S293 PolarHBondContact O-N 2.96Å; P291-S293 VanDerWaalsContact O-N 3.11Å; S293-T295 PolarHBondContact O-N 3.15Å | ||
| 294 | L | 25.1 | Very low | 29.2 | Very low | 160 Ų | 160 | 121.1 Ų | 121.1 | 84% | 0.838 | 73% | 0.725 | S | S | * | * | trans | -73 | 93.9 | 166.9 | -68.4 | 179.8 | 0 | 0 | 0 | 109.9 | V292 | V292-L294 VanDerWaalsContact C-N 3.31Å; V292-L294 HydrophobicContact CG1-CD2 4.31Å; V292-L294 HydrophobicContact CG1-CG 4.03Å; V292-L294 PolarHBondContact O-N 3Å | ||
| 295 | T | 23.1 | Very low | 29.3 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 71% | 0.712 | 74% | 0.742 | S | S | * | * | trans | -72.7 | 135.9 | 159.9 | 50 | 0 | 0 | 0 | 0 | 109.6 | S293 | S293-T295 PolarHBondContact O-N 3.15Š| ||
| 296 | S | 25 | Very low | 30.2 | Very low | 100 Ų | 100 | 120.7 Ų | 120.7 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | trans | 53.2 | 117.4 | 168.5 | 44.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 297 | D | 26.6 | Very low | 30.9 | Very low | 154 Ų | 154 | 115.8 Ų | 115.8 | 82% | 0.824 | 73% | 0.727 | S | S | * | * | cis | -148.5 | 176 | 39.6 | -85.5 | -45.9 | 0 | 0 | 0 | 114.7 | C299 | D297-C299 PolarHBondContact O-N 3.38Š| ||
| 298 | S | 27.4 | Very low | 31.2 | Very low | 116 Ų | 116 | 117.1 Ų | 117.1 | 81% | 0.811 | 73% | 0.727 | S | S | * | * | trans | -69.5 | 120.6 | -176 | 56.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 299 | C | 26.7 | Very low | 32.5 | Very low | 133 Ų | 133 | 115.3 Ų | 115.3 | 90% | 0.899 | 72% | 0.722 | S | S | * | * | trans | -147.9 | 163.1 | 155.5 | -120.9 | 0 | 0 | 0 | 0 | 111.2 | D297 | D297-C299 PolarHBondContact O-N 3.38Š| ||
| 300 | L | 26.8 | Very low | 34.2 | Very low | 170 Ų | 170 | 113.6 Ų | 113.6 | 89% | 0.89 | 71% | 0.714 | S | S | * | * | trans | -97.2 | 152.5 | -158.6 | -72.6 | 161 | 0 | 0 | 0 | 115.4 | ||||
| 301 | A | 29.1 | Very low | 35.8 | Very low | 83 Ų | 83 | 115.4 Ų | 115.4 | 69% | 0.686 | 71% | 0.713 | S | S | * | * | trans | 56.3 | 93.8 | 144.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 302 | T | 30.6 | Very low | 37.6 | Very low | 135 Ų | 135 | 112.8 Ų | 112.8 | 83% | 0.828 | 69% | 0.694 | S | S | * | * | 32.6 | 113.6 | 123.6 | 57.7 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 303 | S | 33.8 | Very low | 39.5 | Very low | 104 Ų | 104 | 110.4 Ų | 110.4 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | 177.3 | 42.4 | 121.1 | 63.7 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 304 | D | 37.8 | Very low | 42.2 | Very low | 117 Ų | 117 | 111.4 Ų | 111.4 | 63% | 0.626 | 67% | 0.673 | S | S | * | * | trans | -107 | 5.2 | -174.4 | -79.3 | -71.5 | 0 | 0 | 0 | 117.9 | S306 N307 | D304-S306 PolarHBondContact O-N 3.2Å; D304-N307 PolarHBondContact O-N 2.8Å; D304-N307 VanDerWaalsContact O-N 3.15Å; D304-N307 PolarHBondContact OD1-ND2 3.06Å | ||
| 305 | A | 41.7 | Very low | 44.3 | Very low | 103 Ų | 103 | 107 Ų | 107 | 85% | 0.851 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -10.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 306 | S | 46.2 | Very low | 46.5 | Very low | 77 Ų | 77 | 105.5 Ų | 105.5 | 54% | 0.538 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.9 | -28.6 | 175.9 | 47.4 | 0 | 0 | 0 | 0 | 114.2 | D304 | D304-S306 PolarHBondContact O-N 3.2Š|
| 307 | N | 50.1 | Low | 49.1 | Very low | 81 Ų | 81 | 104 Ų | 104 | 43% | 0.433 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -75.9 | -42.2 | -165.4 | -63.9 | -19.5 | 0 | 0 | 0 | 111.8 | D304 G309 Q310 E311 | D304-N307 PolarHBondContact O-N 2.8Å; D304-N307 VanDerWaalsContact O-N 3.15Å; D304-N307 PolarHBondContact OD1-ND2 3.06Å; N307-G309 PolarHBondContact O-N 3.16Å; N307-Q310 PolarHBondContact O-N 2.9Å; N307-E311 PolarHBondContact O-N 3.38Å |
| 308 | L | 46.2 | Very low | 51.6 | Low | 119 Ų | 119 | 102 Ų | 102 | 62% | 0.623 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -58 | -35.2 | 177.1 | -169.9 | 67.9 | 0 | 0 | 0 | 112.5 | E311 V312 | L308-E311 PolarHBondContact O-N 3.49Å; L308-V312 WeakPolarHBondContact O-CB 3.26Å; L308-V312 VanDerWaalsContact O-CG2 3.32Å; L308-V312 WeakPolarHBondContact O-CG2 3.36Å; L308-V312 PolarHBondContact O-N 3.13Å |
| 309 | G | 56 | Low | 53.5 | Low | 49 Ų | 49 | 102.1 Ų | 102.1 | 51% | 0.505 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.3 | -39.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | N307 S313 | N307-G309 PolarHBondContact O-N 3.16Å; G309-S313 WeakPolarHBondContact O-CB 3.32Å; G309-S313 PolarHBondContact O-N 2.83Å; G309-S313 PolarHBondContact O-OG 2.87Å |
| 310 | Q | 62.4 | Low | 55.6 | Low | 132 Ų | 132 | 101.9 Ų | 101.9 | 62% | 0.617 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69 | -43 | 174.3 | -70.9 | -164 | 0.4 | 0 | 0 | 111.5 | N307 S313 K314 | N307-Q310 PolarHBondContact O-N 2.9Å; Q310-S313 PolarHBondContact O-N 3.08Å; Q310-S313 PolarHBondContact O-OG 3.4Å; Q310-K314 PolarHBondContact O-N 3.3Å |
| 311 | E | 61.6 | Low | 58.2 | Low | 124 Ų | 124 | 99.5 Ų | 99.5 | 58% | 0.579 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.8 | -43.8 | -177.8 | -166.1 | 162.8 | -121.1 | 0 | 0 | 112.7 | N307 L308 S313 K314 S315 | N307-E311 PolarHBondContact O-N 3.38Å; L308-E311 PolarHBondContact O-N 3.49Å; E311-S313 PolarHBondContact O-N 2.92Å; E311-K314 PolarHBondContact O-N 2.88Å; E311-S315 WeakPolarHBondContact O-CB 3.22Å; E311-S315 PolarHBondContact O-N 3.23Å; E311-S315 PolarHBondContact O-OG 3.47Å |
| 312 | V | 64 | Low | 60.2 | Low | 71 Ų | 71 | 97.6 Ų | 97.6 | 43% | 0.43 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.5 | -41 | 172.3 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | L308 S315 V316 | L308-V312 WeakPolarHBondContact O-CB 3.26Å; L308-V312 VanDerWaalsContact O-CG2 3.32Å; L308-V312 WeakPolarHBondContact O-CG2 3.36Å; L308-V312 PolarHBondContact O-N 3.13Å; V312-S315 PolarHBondContact O-N 2.86Å; V312-V316 WeakPolarHBondContact O-CG2 3.39Å; V312-V316 PolarHBondContact O-N 3.27Å |
| 313 | S | 67.6 | Low | 62 | Low | 65 Ų | 65 | 95.6 Ų | 95.6 | 46% | 0.455 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.8 | -34.7 | 178.2 | 75.7 | 0 | 0 | 0 | 0 | 113.1 | G309 Q310 E311 S317 | G309-S313 WeakPolarHBondContact O-CB 3.32Å; G309-S313 PolarHBondContact O-N 2.83Å; G309-S313 PolarHBondContact O-OG 2.87Å; Q310-S313 PolarHBondContact O-N 3.08Å; Q310-S313 PolarHBondContact O-OG 3.4Å; E311-S313 PolarHBondContact O-N 2.92Å; S313-S317 WeakPolarHBondContact O-CB 3.27Å; S313-S317 PolarHBondContact O-N 2.84Å; S313-S317 PolarHBondContact O-OG 2.89Å |
| 314 | K | 77.4 | Confident | 64 | Low | 131 Ų | 131 | 96.8 Ų | 96.8 | 57% | 0.57 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.3 | -53.3 | 169.8 | -84.9 | -178 | 171.4 | -179.2 | 0 | 110.7 | Q310 E311 V316 S317 E318 | Q310-K314 PolarHBondContact O-N 3.3Å; E311-K314 PolarHBondContact O-N 2.88Å; K314-V316 VanDerWaalsContact C-N 3.29Å; K314-V316 PolarHBondContact O-N 3.34Å; K314-S317 CarbonylContact O-C 3.57Å; K314-S317 WeakPolarHBondContact O-CA 3.49Å; K314-S317 WeakPolarHBondContact O-CB 3.43Å; K314-S317 PolarHBondContact O-N 3.42Å; K314-E318 WeakPolarHBondContact O-CG 3.48Å; K314-E318 PolarHBondContact O-N 3.46Å |
| 315 | S | 69 | Low | 66 | Low | 68 Ų | 68 | 98.8 Ų | 98.8 | 48% | 0.476 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -56.3 | -41.8 | -177.7 | -56.6 | 0 | 0 | 0 | 0 | 112.5 | E311 V312 L319 | E311-S315 WeakPolarHBondContact O-CB 3.22Å; E311-S315 PolarHBondContact O-N 3.23Å; E311-S315 PolarHBondContact O-OG 3.47Å; V312-S315 PolarHBondContact O-N 2.86Å; S315-L319 WeakPolarHBondContact O-CB 3.44Å; S315-L319 PolarHBondContact O-N 3.19Å; S315-L319 VanDerWaalsContact O-N 3.1Å |
| 316 | V | 71.1 | Confident | 67.3 | Low | 84 Ų | 84 | 100.3 Ų | 100.3 | 51% | 0.509 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.8 | -38 | 174.5 | 171.4 | 0 | 0 | 0 | 0 | 111.8 | V312 K314 L320 | V312-V316 WeakPolarHBondContact O-CG2 3.39Å; V312-V316 PolarHBondContact O-N 3.27Å; K314-V316 VanDerWaalsContact C-N 3.29Å; K314-V316 PolarHBondContact O-N 3.34Å; V316-L320 PolarHBondContact O-N 3Å |
| 317 | S | 78.3 | Confident | 68.2 | Low | 67 Ų | 67 | 101.9 Ų | 101.9 | 47% | 0.469 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.8 | -45.5 | 178.8 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | S313 K314 L319 L320 E321 | S313-S317 WeakPolarHBondContact O-CB 3.27Å; S313-S317 PolarHBondContact O-N 2.84Å; S313-S317 PolarHBondContact O-OG 2.89Å; K314-S317 CarbonylContact O-C 3.57Å; K314-S317 WeakPolarHBondContact O-CA 3.49Å; K314-S317 WeakPolarHBondContact O-CB 3.43Å; K314-S317 PolarHBondContact O-N 3.42Å; S317-L319 VanDerWaalsContact C-N 3.32Å; S317-L319 PolarHBondContact O-N 2.98Å; S317-L320 WeakPolarHBondContact O-CB 3.45Å; S317-L320 PolarHBondContact O-N 2.92Å; S317-L320 VanDerWaalsContact O-N 3.13Å; S317-E321 PolarHBondContact O-N 3.41Å |
| 318 | E | 80.5 | Confident | 69.5 | Low | 114 Ų | 114 | 104.4 Ų | 104.4 | 53% | 0.533 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 177.2 | -72.1 | 169.6 | -163.8 | 0 | 0 | 111.4 | K314 E321 A322 | K314-E318 WeakPolarHBondContact O-CG 3.48Å; K314-E318 PolarHBondContact O-N 3.46Å; E318-E321 PolarHBondContact O-N 3.31Å; E318-A322 WeakPolarHBondContact O-CB 3.49Å; E318-A322 PolarHBondContact O-N 2.7Å |
| 319 | L | 65.7 | Low | 70.7 | Confident | 117 Ų | 117 | 105 Ų | 105 | 61% | 0.613 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.4 | -42.1 | 173.1 | -172.7 | 69.7 | 0 | 0 | 0 | 111.8 | S315 S317 A322 V323 | S315-L319 WeakPolarHBondContact O-CB 3.44Å; S315-L319 PolarHBondContact O-N 3.19Å; S315-L319 VanDerWaalsContact O-N 3.1Å; S317-L319 VanDerWaalsContact C-N 3.32Å; S317-L319 PolarHBondContact O-N 2.98Å; L319-A322 PolarHBondContact O-N 3.18Å; L319-V323 WeakPolarHBondContact O-CG2 3.23Å; L319-V323 PolarHBondContact O-N 2.98Å |
| 320 | L | 71.1 | Confident | 71 | Confident | 128 Ų | 128 | 105 Ų | 105 | 67% | 0.67 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62 | -43.6 | 176 | -133.8 | 83.6 | 0 | 0 | 0 | 111.5 | V316 S317 V323 H324 | V316-L320 PolarHBondContact O-N 3Å; S317-L320 WeakPolarHBondContact O-CB 3.45Å; S317-L320 PolarHBondContact O-N 2.92Å; S317-L320 VanDerWaalsContact O-N 3.13Å; L320-V323 PolarHBondContact O-N 2.86Å; L320-H324 VanDerWaalsContact O-CB 3.31Å; L320-H324 WeakPolarHBondContact O-CB 3.48Å; L320-H324 PolarHBondContact O-N 2.87Å |
| 321 | E | 82.2 | Confident | 71.3 | Confident | 120 Ų | 120 | 103.7 Ų | 103.7 | 56% | 0.561 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.6 | -33.9 | 176.7 | -73.9 | -170.2 | 170.9 | 0 | 0 | 113.1 | S317 E318 R325 | S317-E321 PolarHBondContact O-N 3.41Å; E318-E321 PolarHBondContact O-N 3.31Å; E321-R325 WeakPolarHBondContact O-CB 3.47Å; E321-R325 WeakPolarHBondContact O-CG 3.08Å; E321-R325 PolarHBondContact O-N 3.15Å; E321-R325 PolarHBondContact O-NE 3.19Å; E321-R325 VanDerWaalsContact O-NE 3.13Å |
| 322 | A | 71.2 | Confident | 71.9 | Confident | 43 Ų | 43 | 101.8 Ų | 101.8 | 36% | 0.355 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66 | -46.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E318 L319 H324 R325 H326 | E318-A322 WeakPolarHBondContact O-CB 3.49Å; E318-A322 PolarHBondContact O-N 2.7Å; L319-A322 PolarHBondContact O-N 3.18Å; A322-H324 VanDerWaalsContact C-N 3.35Å; A322-H324 PolarHBondContact O-N 3.43Å; A322-R325 PolarHBondContact O-N 2.69Å; A322-H326 PolarHBondContact O-N 2.62Å |
| 323 | V | 68.3 | Low | 71.9 | Confident | 94 Ų | 94 | 103.2 Ų | 103.2 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.4 | -43.3 | 174.3 | 172.4 | 0 | 0 | 0 | 0 | 111 | L319 L320 H326 M327 | L319-V323 WeakPolarHBondContact O-CG2 3.23Å; L319-V323 PolarHBondContact O-N 2.98Å; L320-V323 PolarHBondContact O-N 2.86Å; V323-H326 PolarHBondContact O-N 3.11Å; V323-M327 WeakPolarHBondContact O-CB 3.25Å; V323-M327 PolarHBondContact O-N 3.18Å |
| 324 | H | 76.4 | Confident | 71.1 | Confident | 129 Ų | 129 | 104.4 Ų | 104.4 | 60% | 0.597 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.8 | -37.6 | 179.5 | -163.7 | -171.4 | 0 | 0 | 0 | 112.2 | L320 A322 K328 | L320-H324 VanDerWaalsContact O-CB 3.31Å; L320-H324 WeakPolarHBondContact O-CB 3.48Å; L320-H324 PolarHBondContact O-N 2.87Å; A322-H324 VanDerWaalsContact C-N 3.35Å; A322-H324 PolarHBondContact O-N 3.43Å; H324-K328 WeakPolarHBondContact O-CB 3.21Å; H324-K328 PolarHBondContact O-N 3.03Å |
| 325 | R | 79.6 | Confident | 70.7 | Confident | 159 Ų | 159 | 103.6 Ų | 103.6 | 60% | 0.6 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61 | -49.4 | 171.1 | -83.9 | 177.2 | -84 | 162.9 | -13.2 | 111.9 | E321 A322 M327 K328 H329 | E321-R325 WeakPolarHBondContact O-CB 3.47Å; E321-R325 WeakPolarHBondContact O-CG 3.08Å; E321-R325 PolarHBondContact O-N 3.15Å; E321-R325 PolarHBondContact O-NE 3.19Å; E321-R325 VanDerWaalsContact O-NE 3.13Å; A322-R325 PolarHBondContact O-N 2.69Å; R325-M327 PolarHBondContact O-N 3.46Å; R325-K328 PolarHBondContact O-N 2.94Å; R325-H329 PolarHBondContact O-N 3.11Å |
| 326 | H | 68.4 | Low | 70.4 | Confident | 135 Ų | 135 | 105.1 Ų | 105.1 | 63% | 0.625 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.5 | -44.5 | 179.2 | -167.5 | -49.3 | 0 | 0 | 0 | 111.6 | A322 V323 K328 H329 S330 | A322-H326 PolarHBondContact O-N 2.62Å; V323-H326 PolarHBondContact O-N 3.11Å; H326-K328 VanDerWaalsContact C-N 3.3Å; H326-K328 PolarHBondContact O-N 3.15Å; H326-H329 WeakPolarHBondContact O-CB 3.27Å; H326-H329 PolarHBondContact O-N 3.24Å; H326-H329 VanDerWaalsContact O-N 3.15Å; H326-S330 PolarHBondContact ND1-OG 3.08Å; H326-S330 PolarHBondContact O-N 2.85Å; H326-S330 PolarHBondContact O-OG 3.11Å; H326-S330 VanDerWaalsContact O-OG 3.1Å |
| 327 | M | 64.4 | Low | 69.2 | Low | 109 Ų | 109 | 104.9 Ų | 104.9 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64 | -36.3 | 178.5 | -165.1 | 172.4 | 73.9 | 0 | 0 | 111.9 | V323 R325 S330 L331 | V323-M327 WeakPolarHBondContact O-CB 3.25Å; V323-M327 PolarHBondContact O-N 3.18Å; R325-M327 PolarHBondContact O-N 3.46Å; M327-S330 PolarHBondContact O-N 3.17Å; M327-L331 WeakPolarHBondContact O-CG 2.98Å; M327-L331 PolarHBondContact O-N 3.4Å |
| 328 | K | 78.3 | Confident | 67.7 | Low | 134 Ų | 134 | 105.8 Ų | 105.8 | 58% | 0.583 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.7 | -38.9 | 172.5 | -170.6 | 174.7 | -176.9 | 178.9 | 0 | 112.3 | H324 R325 H326 L331 N332 | H324-K328 WeakPolarHBondContact O-CB 3.21Å; H324-K328 PolarHBondContact O-N 3.03Å; R325-K328 PolarHBondContact O-N 2.94Å; H326-K328 VanDerWaalsContact C-N 3.3Å; H326-K328 PolarHBondContact O-N 3.15Å; K328-L331 PolarHBondContact O-N 3.43Å; K328-N332 WeakPolarHBondContact O-CB 3.46Å; K328-N332 VanDerWaalsContact O-CG 3.25Å; K328-N332 PolarHBondContact O-N 3.04Å; K328-N332 PolarHBondContact O-OD1 3.1Å |
| 329 | H | 70.9 | Confident | 66.3 | Low | 133 Ų | 133 | 103.2 Ų | 103.2 | 62% | 0.616 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.5 | -43.2 | 174.9 | -155.1 | -94 | 0 | 0 | 0 | 111.6 | R325 H326 L331 N332 H333 | R325-H329 PolarHBondContact O-N 3.11Å; H326-H329 WeakPolarHBondContact O-CB 3.27Å; H326-H329 PolarHBondContact O-N 3.24Å; H326-H329 VanDerWaalsContact O-N 3.15Å; H329-L331 PolarHBondContact O-N 3.5Å; H329-N332 PolarHBondContact O-N 3.47Å; H329-H333 PolarHBondContact O-N 3.38Å |
| 330 | S | 62.9 | Low | 65.3 | Low | 49 Ų | 49 | 105.3 Ų | 105.3 | 34% | 0.343 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 174.6 | -55.6 | 0 | 0 | 0 | 0 | 112.5 | H326 M327 H333 I334 | H326-S330 PolarHBondContact ND1-OG 3.08Å; H326-S330 PolarHBondContact O-N 2.85Å; H326-S330 PolarHBondContact O-OG 3.11Å; H326-S330 VanDerWaalsContact O-OG 3.1Å; M327-S330 PolarHBondContact O-N 3.17Å; S330-H333 PolarHBondContact O-N 2.92Å; S330-I334 VanDerWaalsContact O-CG1 3.32Å; S330-I334 WeakPolarHBondContact O-CG1 3.45Å; S330-I334 PolarHBondContact O-N 3.3Å |
| 331 | L | 68.4 | Low | 63.9 | Low | 103 Ų | 103 | 104 Ų | 104 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 175.8 | -73.3 | 169 | 0 | 0 | 0 | 112.2 | M327 K328 H329 H333 I334 E335 | M327-L331 WeakPolarHBondContact O-CG 2.98Å; M327-L331 PolarHBondContact O-N 3.4Å; K328-L331 PolarHBondContact O-N 3.43Å; H329-L331 PolarHBondContact O-N 3.5Å; L331-H333 VanDerWaalsContact C-N 3.27Å; L331-H333 PolarHBondContact O-N 3.31Å; L331-I334 PolarHBondContact O-N 3.14Å; L331-E335 WeakPolarHBondContact O-CB 3.24Å; L331-E335 PolarHBondContact O-N 2.88Å |
| 332 | N | 73.9 | Confident | 61.9 | Low | 84 Ų | 84 | 105.2 Ų | 105.2 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.5 | -37.8 | 174.9 | -72 | 7.7 | 0 | 0 | 0 | 112 | K328 H329 E335 H336 | K328-N332 WeakPolarHBondContact O-CB 3.46Å; K328-N332 VanDerWaalsContact O-CG 3.25Å; K328-N332 PolarHBondContact O-N 3.04Å; K328-N332 PolarHBondContact O-OD1 3.1Å; H329-N332 PolarHBondContact O-N 3.47Å; N332-E335 PolarHBondContact O-N 3.3Å; N332-H336 WeakPolarHBondContact O-CB 3.26Å; N332-H336 PolarHBondContact O-N 3.08Å |
| 333 | H | 63.3 | Low | 60.3 | Low | 102 Ų | 102 | 110 Ų | 110 | 47% | 0.472 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.2 | -40.9 | 177.4 | -172.6 | -122.2 | 0 | 0 | 0 | 111.9 | H329 S330 L331 H336 L337 | H329-H333 PolarHBondContact O-N 3.38Å; S330-H333 PolarHBondContact O-N 2.92Å; L331-H333 VanDerWaalsContact C-N 3.27Å; L331-H333 PolarHBondContact O-N 3.31Å; H333-H336 PolarHBondContact O-N 2.95Å; H333-L337 WeakPolarHBondContact O-CG 3.45Å; H333-L337 PolarHBondContact O-N 3.11Å |
| 334 | I | 52.8 | Low | 59.1 | Low | 89 Ų | 89 | 107 Ų | 107 | 46% | 0.456 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 173 | -67.1 | 162.6 | 0 | 0 | 0 | 110.6 | S330 L331 H336 L337 E338 | S330-I334 VanDerWaalsContact O-CG1 3.32Å; S330-I334 WeakPolarHBondContact O-CG1 3.45Å; S330-I334 PolarHBondContact O-N 3.3Å; L331-I334 PolarHBondContact O-N 3.14Å; I334-H336 VanDerWaalsContact C-N 3.34Å; I334-H336 PolarHBondContact O-N 3.46Å; I334-L337 PolarHBondContact O-N 2.97Å; I334-E338 PolarHBondContact O-N 3.48Å |
| 335 | E | 67.9 | Low | 57.6 | Low | 114 Ų | 114 | 106 Ų | 106 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 175.8 | -178.8 | 172.8 | -165.7 | 0 | 0 | 112.1 | L331 N332 E338 N339 | L331-E335 WeakPolarHBondContact O-CB 3.24Å; L331-E335 PolarHBondContact O-N 2.88Å; N332-E335 PolarHBondContact O-N 3.3Å; E335-E338 PolarHBondContact O-N 3.19Å; E335-N339 WeakPolarHBondContact CG-ND2 3.28Å; E335-N339 VanDerWaalsContact O-CB 3.25Å; E335-N339 WeakPolarHBondContact O-CB 3.46Å; E335-N339 VanDerWaalsContact O-CG 3.25Å; E335-N339 PolarHBondContact O-N 3.21Å; E335-N339 PolarHBondContact O-ND2 2.98Å; E335-N339 VanDerWaalsContact O-ND2 3.16Å |
| 336 | H | 62.8 | Low | 56 | Low | 100 Ų | 100 | 106 Ų | 106 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 173.7 | -178.1 | 73.4 | 0 | 0 | 0 | 112.2 | N332 H333 I334 N339 R340 | N332-H336 WeakPolarHBondContact O-CB 3.26Å; N332-H336 PolarHBondContact O-N 3.08Å; H333-H336 PolarHBondContact O-N 2.95Å; I334-H336 VanDerWaalsContact C-N 3.34Å; I334-H336 PolarHBondContact O-N 3.46Å; H336-N339 PolarHBondContact O-N 2.86Å; H336-R340 WeakPolarHBondContact NE2-CD 3.21Å; H336-R340 WeakPolarHBondContact O-CB 3.47Å; H336-R340 WeakPolarHBondContact O-CG 3.23Å; H336-R340 PolarHBondContact O-N 3.39Å |
| 337 | L | 46.4 | Very low | 54.8 | Low | 79 Ų | 79 | 104.5 Ų | 104.5 | 41% | 0.414 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.9 | -46.6 | 175 | -69.8 | 170.1 | 0 | 0 | 0 | 111.7 | H333 I334 N339 R340 I341 | H333-L337 WeakPolarHBondContact O-CG 3.45Å; H333-L337 PolarHBondContact O-N 3.11Å; I334-L337 PolarHBondContact O-N 2.97Å; L337-N339 VanDerWaalsContact C-N 3.29Å; L337-N339 PolarHBondContact O-N 3.32Å; L337-R340 PolarHBondContact O-N 3Å; L337-I341 WeakPolarHBondContact O-CD1 3.48Å; L337-I341 VanDerWaalsContact O-CG1 3.29Å; L337-I341 WeakPolarHBondContact O-CG1 3.49Å; L337-I341 PolarHBondContact O-N 3.42Å |
| 338 | E | 46.5 | Very low | 54.3 | Low | 86 Ų | 86 | 102 Ų | 102 | 40% | 0.402 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.2 | -42.7 | 173.3 | -78.5 | -164.5 | -166.4 | 0 | 0 | 111.8 | I334 E335 I341 R342 | I334-E338 PolarHBondContact O-N 3.48Å; E335-E338 PolarHBondContact O-N 3.19Å; E338-I341 PolarHBondContact O-N 2.89Å; E338-R342 WeakPolarHBondContact O-CB 3.22Å; E338-R342 WeakPolarHBondContact O-CG 3.33Å; E338-R342 PolarHBondContact O-N 3.5Å; E338-R342 IonicContact OE2-CZ 3.2Å; E338-R342 IonicContact OE2-NH1 3.3Å; E338-R342 PolarHBondContact OE2-NH1 3.02Å; E338-R342 IonicContact OE2-NH2 3.72Å; E338-R342 PolarHBondContact OE2-NH2 2.95Å |
| 339 | N | 50 | Low | 53.4 | Low | 60 Ų | 60 | 103 Ų | 103 | 32% | 0.321 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.9 | -35.9 | 179.2 | -73 | -30.8 | 0 | 0 | 0 | 112.2 | E335 H336 L337 I341 R342 L343 | E335-N339 WeakPolarHBondContact CG-ND2 3.28Å; E335-N339 VanDerWaalsContact O-CB 3.25Å; E335-N339 WeakPolarHBondContact O-CB 3.46Å; E335-N339 VanDerWaalsContact O-CG 3.25Å; E335-N339 PolarHBondContact O-N 3.21Å; E335-N339 PolarHBondContact O-ND2 2.98Å; E335-N339 VanDerWaalsContact O-ND2 3.16Å; H336-N339 PolarHBondContact O-N 2.86Å; L337-N339 VanDerWaalsContact C-N 3.29Å; L337-N339 PolarHBondContact O-N 3.32Å; N339-I341 VanDerWaalsContact C-N 3.3Å; N339-I341 PolarHBondContact O-N 3.12Å; N339-R342 PolarHBondContact O-N 3.48Å; N339-L343 HydrophobicContact CB-CD1 4.46Å; N339-L343 WeakPolarHBondContact O-CB 3.43Å; N339-L343 WeakPolarHBondContact O-CD1 3.45Å; N339-L343 WeakPolarHBondContact O-CG 3.37Å; N339-L343 PolarHBondContact O-N 3.4Å |
| 340 | R | 46.5 | Very low | 52.7 | Low | 162 Ų | 162 | 99.5 Ų | 99.5 | 61% | 0.611 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.4 | -35.8 | 170.3 | -81.5 | -176.5 | 66.6 | 162 | 1 | 112.5 | H336 L337 | H336-R340 WeakPolarHBondContact NE2-CD 3.21Å; H336-R340 WeakPolarHBondContact O-CB 3.47Å; H336-R340 WeakPolarHBondContact O-CG 3.23Å; H336-R340 PolarHBondContact O-N 3.39Å; L337-R340 PolarHBondContact O-N 3Å |
| 341 | I | 40.8 | Very low | 52.1 | Low | 99 Ų | 99 | 103 Ų | 103 | 51% | 0.508 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69 | -42 | 174.6 | -66.8 | 163 | 0 | 0 | 0 | 110.8 | L337 E338 N339 | L337-I341 WeakPolarHBondContact O-CD1 3.48Å; L337-I341 VanDerWaalsContact O-CG1 3.29Å; L337-I341 WeakPolarHBondContact O-CG1 3.49Å; L337-I341 PolarHBondContact O-N 3.42Å; E338-I341 PolarHBondContact O-N 2.89Å; N339-I341 VanDerWaalsContact C-N 3.3Å; N339-I341 PolarHBondContact O-N 3.12Å |
| 342 | R | 41.3 | Very low | 51.8 | Low | 147 Ų | 147 | 101.2 Ų | 101.2 | 56% | 0.555 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -74 | -29.2 | 178.7 | -71.6 | 176.1 | -176 | 130.9 | 12.4 | 114.6 | E338 N339 S344 T348 | E338-R342 WeakPolarHBondContact O-CB 3.22Å; E338-R342 WeakPolarHBondContact O-CG 3.33Å; E338-R342 PolarHBondContact O-N 3.5Å; E338-R342 IonicContact OE2-CZ 3.2Å; E338-R342 IonicContact OE2-NH1 3.3Å; E338-R342 PolarHBondContact OE2-NH1 3.02Å; E338-R342 IonicContact OE2-NH2 3.72Å; E338-R342 PolarHBondContact OE2-NH2 2.95Å; N339-R342 PolarHBondContact O-N 3.48Å; R342-S344 PolarHBondContact O-N 3.43Å; R342-S344 VanDerWaalsContact O-N 3.17Å; R342-T348 PolarHBondContact O-OG1 2.69Å |
| 343 | L | 35.9 | Very low | 52 | Low | 142 Ų | 142 | 102.1 Ų | 102.1 | 74% | 0.743 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 4.9 | -171.7 | -81.5 | 168.2 | 0 | 0 | 0 | 115.1 | N339 P345 | N339-L343 HydrophobicContact CB-CD1 4.46Å; N339-L343 WeakPolarHBondContact O-CB 3.43Å; N339-L343 WeakPolarHBondContact O-CD1 3.45Å; N339-L343 WeakPolarHBondContact O-CG 3.37Å; N339-L343 PolarHBondContact O-N 3.4Å; L343-P345 WeakPolarHBondContact O-CD 3.41Å |
| 344 | S | 44.3 | Very low | 52.1 | Low | 33 Ų | 33 | 102 Ų | 102 | 23% | 0.231 | 49% | 0.487 | C | S | . | . | trans | -103.4 | 109.6 | 162.4 | 123.9 | 0 | 0 | 0 | 0 | 109.5 | R342 R346 M347 T348 | R342-S344 PolarHBondContact O-N 3.43Å; R342-S344 VanDerWaalsContact O-N 3.17Å; S344-R346 PolarHBondContact O-N 3.29Å; S344-M347 VanDerWaalsContact OG-CB 3.23Å; S344-M347 WeakPolarHBondContact OG-CB 3.5Å; S344-M347 VanDerWaalsContact OG-CG 3.32Å; S344-M347 WeakPolarHBondContact OG-CG 3.34Å; S344-M347 PolarHBondContact OG-N 3.44Å; S344-T348 PolarHBondContact O-N 2.72Å; S344-T348 VanDerWaalsContact O-N 3.13Å; S344-T348 PolarHBondContact O-OG1 2.99Å | ||
| 345 | P | 44.8 | Very low | 53.1 | Low | 106 Ų | 106 | 103.4 Ų | 103.4 | 69% | 0.688 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.2 | -31.9 | 172.7 | -26.6 | 35.7 | 0 | 0 | 0 | 112.5 | L343 T348 Y349 | L343-P345 WeakPolarHBondContact O-CD 3.41Å; P345-T348 PolarHBondContact O-N 2.93Å; P345-Y349 VanDerWaalsContact O-CB 3.31Å; P345-Y349 WeakPolarHBondContact O-CB 3.33Å; P345-Y349 PolarHBondContact O-N 3.22Å |
| 346 | R | 45.5 | Very low | 53.7 | Low | 160 Ų | 160 | 102.3 Ų | 102.3 | 60% | 0.604 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.6 | -47.1 | -178.2 | -156 | 174.6 | -171.3 | -179.6 | 2.4 | 112.4 | E28 S344 T348 Y349 E350 | E28-R346 IonicContact OE1-NH2 3.61Å; E28-R346 PolarHBondContact OE1-NH2 2.71Å; S344-R346 PolarHBondContact O-N 3.29Å; R346-T348 VanDerWaalsContact C-N 3.34Å; R346-T348 PolarHBondContact O-N 2.73Å; R346-Y349 PolarHBondContact O-N 3.42Å; R346-E350 PolarHBondContact O-N 3.49Å |
| 347 | M | 44.2 | Very low | 54.6 | Low | 104 Ų | 104 | 101.5 Ų | 101.5 | 51% | 0.512 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66 | -35.5 | 171.9 | -66.9 | -168.7 | -64.8 | 0 | 0 | 112.3 | S344 Y349 E350 M351 | S344-M347 VanDerWaalsContact OG-CB 3.23Å; S344-M347 WeakPolarHBondContact OG-CB 3.5Å; S344-M347 VanDerWaalsContact OG-CG 3.32Å; S344-M347 WeakPolarHBondContact OG-CG 3.34Å; S344-M347 PolarHBondContact OG-N 3.44Å; M347-Y349 VanDerWaalsContact C-N 3.35Å; M347-E350 PolarHBondContact O-N 2.84Å; M347-M351 WeakPolarHBondContact O-CB 3.46Å; M347-M351 WeakPolarHBondContact O-CG 3.37Å; M347-M351 PolarHBondContact O-N 3.24Å |
| 348 | T | 52.7 | Low | 56.1 | Low | 57 Ų | 57 | 104.8 Ų | 104.8 | 35% | 0.35 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 177.6 | -53.5 | 0 | 0 | 0 | 0 | 111.1 | R342 S344 P345 R346 C352 | R342-T348 PolarHBondContact O-OG1 2.69Å; S344-T348 PolarHBondContact O-N 2.72Å; S344-T348 VanDerWaalsContact O-N 3.13Å; S344-T348 PolarHBondContact O-OG1 2.99Å; P345-T348 PolarHBondContact O-N 2.93Å; R346-T348 VanDerWaalsContact C-N 3.34Å; R346-T348 PolarHBondContact O-N 2.73Å; T348-C352 PolarHBondContact O-N 3.32Å; T348-C352 PolarHBondContact O-SG 3.08Å; T348-C352 VanDerWaalsContact O-SG 3.38Å |
| 349 | Y | 59.9 | Low | 57.8 | Low | 155 Ų | 155 | 104 Ų | 104 | 61% | 0.608 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.5 | -48.6 | 172.8 | -178.8 | -95.6 | 0 | 0 | 0 | 111.9 | P345 R346 M347 M351 C352 R353 | P345-Y349 VanDerWaalsContact O-CB 3.31Å; P345-Y349 WeakPolarHBondContact O-CB 3.33Å; P345-Y349 PolarHBondContact O-N 3.22Å; R346-Y349 PolarHBondContact O-N 3.42Å; M347-Y349 VanDerWaalsContact C-N 3.35Å; Y349-M351 PolarHBondContact O-N 2.92Å; Y349-C352 WeakPolarHBondContact O-CB 3.43Å; Y349-C352 PolarHBondContact O-N 3.33Å; Y349-R353 WeakPolarHBondContact O-CB 3.33Å; Y349-R353 PolarHBondContact O-N 2.9Å |
| 350 | E | 55.2 | Low | 59.4 | Low | 59 Ų | 59 | 103.6 Ų | 103.6 | 28% | 0.276 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 177.7 | -74.3 | -58.5 | 140.5 | 0 | 0 | 112.9 | R346 M347 C352 R353 I354 | R346-E350 PolarHBondContact O-N 3.49Å; M347-E350 PolarHBondContact O-N 2.84Å; E350-C352 VanDerWaalsContact C-N 3.33Å; E350-C352 PolarHBondContact O-N 2.98Å; E350-R353 PolarHBondContact O-N 2.97Å; E350-R353 IonicContact OE1-CZ 3.72Å; E350-R353 IonicContact OE1-NE 3.23Å; E350-R353 PolarHBondContact OE1-NE 3.39Å; E350-R353 IonicContact OE1-NH2 3.7Å; E350-R353 PolarHBondContact OE1-NH2 2.94Å; E350-R353 IonicContact OE2-CZ 3.32Å; E350-R353 IonicContact OE2-NE 3.24Å; E350-R353 PolarHBondContact OE2-NE 3.42Å; E350-R353 IonicContact OE2-NH2 2.71Å; E350-R353 PolarHBondContact OE2-NH2 3.35Å; E350-I354 WeakPolarHBondContact O-CB 3.43Å; E350-I354 VanDerWaalsContact O-CG1 3.25Å; E350-I354 WeakPolarHBondContact O-CG1 3.16Å; E350-I354 PolarHBondContact O-N 2.96Å |
| 351 | M | 51.1 | Low | 60.8 | Low | 121 Ų | 121 | 101.3 Ų | 101.3 | 60% | 0.596 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.8 | -39.7 | 173 | -78.9 | 175.2 | 55.6 | 0 | 0 | 112.1 | M347 Y349 K355 | M347-M351 WeakPolarHBondContact O-CB 3.46Å; M347-M351 WeakPolarHBondContact O-CG 3.37Å; M347-M351 PolarHBondContact O-N 3.24Å; Y349-M351 PolarHBondContact O-N 2.92Å; M351-K355 WeakPolarHBondContact O-CB 3.41Å; M351-K355 PolarHBondContact O-N 3.25Å |
| 352 | C | 61.4 | Low | 62.4 | Low | 66 Ų | 66 | 98.9 Ų | 98.9 | 45% | 0.446 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 172.1 | -73.7 | 0 | 0 | 0 | 0 | 111.5 | T348 Y349 E350 I354 K355 D356 | T348-C352 PolarHBondContact O-N 3.32Å; T348-C352 PolarHBondContact O-SG 3.08Å; T348-C352 VanDerWaalsContact O-SG 3.38Å; Y349-C352 WeakPolarHBondContact O-CB 3.43Å; Y349-C352 PolarHBondContact O-N 3.33Å; E350-C352 VanDerWaalsContact C-N 3.33Å; E350-C352 PolarHBondContact O-N 2.98Å; C352-I354 PolarHBondContact O-N 3.49Å; C352-K355 WeakPolarHBondContact O-CB 3.44Å; C352-K355 PolarHBondContact O-N 3.21Å; C352-D356 WeakPolarHBondContact O-CB 3.11Å; C352-D356 PolarHBondContact O-N 3.44Å |
| 353 | R | 79.2 | Confident | 64.6 | Low | 104 Ų | 104 | 99.3 Ų | 99.3 | 39% | 0.392 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.4 | -49.2 | 178.9 | -170.3 | 172.1 | 72.8 | 99.5 | -11.3 | 112.1 | Y349 E350 K355 D356 E357 | Y349-R353 WeakPolarHBondContact O-CB 3.33Å; Y349-R353 PolarHBondContact O-N 2.9Å; E350-R353 PolarHBondContact O-N 2.97Å; E350-R353 IonicContact OE1-CZ 3.72Å; E350-R353 IonicContact OE1-NE 3.23Å; E350-R353 PolarHBondContact OE1-NE 3.39Å; E350-R353 IonicContact OE1-NH2 3.7Å; E350-R353 PolarHBondContact OE1-NH2 2.94Å; E350-R353 IonicContact OE2-CZ 3.32Å; E350-R353 IonicContact OE2-NE 3.24Å; E350-R353 PolarHBondContact OE2-NE 3.42Å; E350-R353 IonicContact OE2-NH2 2.71Å; E350-R353 PolarHBondContact OE2-NH2 3.35Å; R353-K355 VanDerWaalsContact C-N 3.31Å; R353-K355 PolarHBondContact O-N 3.37Å; R353-D356 PolarHBondContact O-N 3.3Å; R353-E357 IonicContact NH1-OE1 3.18Å; R353-E357 PolarHBondContact NH1-OE1 3.36Å; R353-E357 WeakPolarHBondContact O-CB 3.5Å; R353-E357 WeakPolarHBondContact O-CG 3.28Å; R353-E357 PolarHBondContact O-N 3.19Å |
| 354 | I | 64.2 | Low | 66.9 | Low | 100 Ų | 100 | 98.2 Ų | 98.2 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.3 | -37.4 | 177 | -67.3 | 165.2 | 0 | 0 | 0 | 110.9 | E350 C352 K358 | E350-I354 WeakPolarHBondContact O-CB 3.43Å; E350-I354 VanDerWaalsContact O-CG1 3.25Å; E350-I354 WeakPolarHBondContact O-CG1 3.16Å; E350-I354 PolarHBondContact O-N 2.96Å; C352-I354 PolarHBondContact O-N 3.49Å; I354-K358 VanDerWaalsContact O-CB 3.27Å; I354-K358 WeakPolarHBondContact O-CB 3.45Å; I354-K358 PolarHBondContact O-N 3.16Å |
| 355 | K | 74.2 | Confident | 68.2 | Low | 117 Ų | 117 | 107 Ų | 107 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.2 | -44.4 | 174.9 | -174.9 | -168.2 | 171.7 | -136.8 | 0 | 111.7 | M351 C352 R353 K358 E359 | M351-K355 WeakPolarHBondContact O-CB 3.41Å; M351-K355 PolarHBondContact O-N 3.25Å; C352-K355 WeakPolarHBondContact O-CB 3.44Å; C352-K355 PolarHBondContact O-N 3.21Å; R353-K355 VanDerWaalsContact C-N 3.31Å; R353-K355 PolarHBondContact O-N 3.37Å; K355-K358 PolarHBondContact O-N 3.48Å; K355-E359 WeakPolarHBondContact CE-OE1 3.18Å; K355-E359 IonicContact NZ-OE1 2.84Å; K355-E359 PolarHBondContact NZ-OE1 3.41Å; K355-E359 PolarHBondContact O-N 3.29Å |
| 356 | D | 81.5 | Confident | 69.8 | Low | 91 Ų | 91 | 107.2 Ų | 107.2 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.2 | -35.9 | 179.7 | -73.2 | -24.5 | 0 | 0 | 0 | 112.1 | C352 R353 E359 S360 | C352-D356 WeakPolarHBondContact O-CB 3.11Å; C352-D356 PolarHBondContact O-N 3.44Å; R353-D356 PolarHBondContact O-N 3.3Å; D356-E359 PolarHBondContact O-N 2.91Å; D356-S360 VanDerWaalsContact O-CB 3.23Å; D356-S360 WeakPolarHBondContact O-CB 3.47Å; D356-S360 PolarHBondContact O-N 3.21Å |
| 357 | E | 81.8 | Confident | 71.5 | Confident | 84 Ų | 84 | 102 Ų | 102 | 39% | 0.393 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61 | -45 | 168.3 | -75.2 | -174.5 | -170.3 | 0 | 0 | 111 | R353 S360 L361 | R353-E357 IonicContact NH1-OE1 3.18Å; R353-E357 PolarHBondContact NH1-OE1 3.36Å; R353-E357 WeakPolarHBondContact O-CB 3.5Å; R353-E357 WeakPolarHBondContact O-CG 3.28Å; R353-E357 PolarHBondContact O-N 3.19Å; E357-S360 WeakPolarHBondContact O-CB 3.22Å; E357-S360 PolarHBondContact O-N 2.94Å; E357-L361 WeakPolarHBondContact O-CG 3.45Å; E357-L361 PolarHBondContact O-N 2.85Å |
| 358 | K | 76.9 | Confident | 73.1 | Confident | 147 Ų | 147 | 99.7 Ų | 99.7 | 64% | 0.639 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.9 | -40.4 | 176.9 | -171.8 | 173 | -176.1 | 172.9 | 0 | 112.7 | I354 K355 A362 | I354-K358 VanDerWaalsContact O-CB 3.27Å; I354-K358 WeakPolarHBondContact O-CB 3.45Å; I354-K358 PolarHBondContact O-N 3.16Å; K355-K358 PolarHBondContact O-N 3.48Å; K358-A362 WeakPolarHBondContact O-CB 3.01Å; K358-A362 PolarHBondContact O-N 3.16Å |
| 359 | E | 83.2 | Confident | 74.1 | Confident | 70 Ų | 70 | 99.5 Ų | 99.5 | 33% | 0.327 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.8 | -38.6 | 173 | -76.7 | -163.2 | -147.9 | 0 | 0 | 111.9 | K355 D356 A362 R363 | K355-E359 WeakPolarHBondContact CE-OE1 3.18Å; K355-E359 IonicContact NZ-OE1 2.84Å; K355-E359 PolarHBondContact NZ-OE1 3.41Å; K355-E359 PolarHBondContact O-N 3.29Å; D356-E359 PolarHBondContact O-N 2.91Å; E359-A362 PolarHBondContact O-N 3.19Å; E359-R363 WeakPolarHBondContact O-CB 3.48Å; E359-R363 WeakPolarHBondContact O-CG 3.14Å; E359-R363 PolarHBondContact O-N 3.2Å; E359-R363 IonicContact OE2-CZ 2.71Å; E359-R363 IonicContact OE2-NE 2.65Å; E359-R363 IonicContact OE2-NH2 3.96Å; E359-R363 PolarHBondContact OE2-NH2 2.94Å |
| 360 | S | 82.5 | Confident | 74.9 | Confident | 52 Ų | 52 | 95.5 Ų | 95.5 | 36% | 0.364 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.3 | -49.3 | 174.2 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | D356 E357 A362 R363 Q364 | D356-S360 VanDerWaalsContact O-CB 3.23Å; D356-S360 WeakPolarHBondContact O-CB 3.47Å; D356-S360 PolarHBondContact O-N 3.21Å; E357-S360 WeakPolarHBondContact O-CB 3.22Å; E357-S360 PolarHBondContact O-N 2.94Å; S360-A362 PolarHBondContact O-N 2.9Å; S360-R363 PolarHBondContact O-N 3.1Å; S360-Q364 VanDerWaalsContact O-CG 3.32Å; S360-Q364 WeakPolarHBondContact O-CG 3.41Å; S360-Q364 PolarHBondContact O-N 3.46Å; S360-Q364 PolarHBondContact OG-NE2 2.78Å; S360-Q364 VanDerWaalsContact OG-NE2 3.17Å |
| 361 | L | 75.3 | Confident | 75.8 | Confident | 114 Ų | 114 | 100.1 Ų | 100.1 | 60% | 0.597 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.7 | -44.1 | 175.6 | -71.6 | 168.7 | 0 | 0 | 0 | 111.5 | E357 R363 Q364 W365 | E357-L361 WeakPolarHBondContact O-CG 3.45Å; E357-L361 PolarHBondContact O-N 2.85Å; L361-R363 PolarHBondContact O-N 3.43Å; L361-Q364 PolarHBondContact O-N 2.83Å; L361-W365 PolarHBondContact O-N 3.27Å |
| 362 | A | 76.1 | Confident | 76.6 | Confident | 48 Ų | 48 | 99 Ų | 99 | 40% | 0.397 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K358 E359 S360 N366 | K358-A362 WeakPolarHBondContact O-CB 3.01Å; K358-A362 PolarHBondContact O-N 3.16Å; E359-A362 PolarHBondContact O-N 3.19Å; S360-A362 PolarHBondContact O-N 2.9Å; A362-N366 WeakPolarHBondContact O-CB 3.37Å; A362-N366 PolarHBondContact O-N 2.93Å; A362-N366 PolarHBondContact O-ND2 3.46Å |
| 363 | R | 87.7 | Confident | 76.4 | Confident | 156 Ų | 156 | 101.4 Ų | 101.4 | 59% | 0.589 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.2 | -41.9 | 174.4 | -68.5 | 165.2 | -159.2 | -179 | 9.5 | 111.1 | E359 S360 L361 N366 A367 | E359-R363 WeakPolarHBondContact O-CB 3.48Å; E359-R363 WeakPolarHBondContact O-CG 3.14Å; E359-R363 PolarHBondContact O-N 3.2Å; E359-R363 IonicContact OE2-CZ 2.71Å; E359-R363 IonicContact OE2-NE 2.65Å; E359-R363 IonicContact OE2-NH2 3.96Å; E359-R363 PolarHBondContact OE2-NH2 2.94Å; S360-R363 PolarHBondContact O-N 3.1Å; L361-R363 PolarHBondContact O-N 3.43Å; R363-N366 PolarHBondContact O-N 3.17Å; R363-A367 VanDerWaalsContact O-CB 3.32Å; R363-A367 WeakPolarHBondContact O-CB 3.37Å; R363-A367 PolarHBondContact O-N 3.2Å |
| 364 | Q | 83.8 | Confident | 75.5 | Confident | 119 Ų | 119 | 99.5 Ų | 99.5 | 56% | 0.556 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.1 | -44.6 | 176.1 | -71.3 | 176.6 | 56.3 | 0 | 0 | 112.3 | S360 L361 A367 A368 | S360-Q364 VanDerWaalsContact O-CG 3.32Å; S360-Q364 WeakPolarHBondContact O-CG 3.41Å; S360-Q364 PolarHBondContact O-N 3.46Å; S360-Q364 PolarHBondContact OG-NE2 2.78Å; S360-Q364 VanDerWaalsContact OG-NE2 3.17Å; L361-Q364 PolarHBondContact O-N 2.83Å; Q364-A367 PolarHBondContact O-N 3.47Å; Q364-A368 WeakPolarHBondContact O-CB 3.31Å; Q364-A368 PolarHBondContact O-N 3.22Å |
| 365 | W | 70.8 | Confident | 75.1 | Confident | 218 Ų | 218 | 98.2 Ų | 98.2 | 83% | 0.826 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.5 | -44.5 | 177.9 | -130 | 37.7 | 0 | 0 | 0 | 111.7 | L361 A367 A368 A369 | L361-W365 PolarHBondContact O-N 3.27Å; W365-A367 VanDerWaalsContact C-N 3.33Å; W365-A367 PolarHBondContact O-N 2.94Å; W365-A368 PolarHBondContact O-N 3.07Å; W365-A369 WeakPolarHBondContact O-CB 3.44Å; W365-A369 PolarHBondContact O-N 2.98Å |
| 366 | N | 78.7 | Confident | 73.8 | Confident | 109 Ų | 109 | 99.2 Ų | 99.2 | 58% | 0.583 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.9 | -36.2 | 174.1 | -78.9 | -65 | 0 | 0 | 0 | 112.6 | A362 R363 S370 | A362-N366 WeakPolarHBondContact O-CB 3.37Å; A362-N366 PolarHBondContact O-N 2.93Å; A362-N366 PolarHBondContact O-ND2 3.46Å; R363-N366 PolarHBondContact O-N 3.17Å; N366-S370 VanDerWaalsContact O-CB 3.22Å; N366-S370 WeakPolarHBondContact O-CB 3.4Å; N366-S370 PolarHBondContact O-N 3.47Å; N366-S370 PolarHBondContact O-OG 3.42Å |
| 367 | A | 81.7 | Confident | 72.2 | Confident | 51 Ų | 51 | 105.2 Ų | 105.2 | 42% | 0.421 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.2 | -37.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R363 Q364 W365 S370 K371 | R363-A367 VanDerWaalsContact O-CB 3.32Å; R363-A367 WeakPolarHBondContact O-CB 3.37Å; R363-A367 PolarHBondContact O-N 3.2Å; Q364-A367 PolarHBondContact O-N 3.47Å; W365-A367 VanDerWaalsContact C-N 3.33Å; W365-A367 PolarHBondContact O-N 2.94Å; A367-S370 PolarHBondContact O-N 3.3Å; A367-K371 WeakPolarHBondContact O-CB 3.4Å; A367-K371 WeakPolarHBondContact O-CG 3.32Å; A367-K371 PolarHBondContact O-N 3.45Å |
| 368 | A | 78.2 | Confident | 70.4 | Confident | 56 Ų | 56 | 110.1 Ų | 110.1 | 46% | 0.463 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.4 | -49.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q364 W365 S370 K371 E372 | Q364-A368 WeakPolarHBondContact O-CB 3.31Å; Q364-A368 PolarHBondContact O-N 3.22Å; W365-A368 PolarHBondContact O-N 3.07Å; A368-S370 VanDerWaalsContact C-N 3.29Å; A368-S370 PolarHBondContact O-N 3.44Å; A368-K371 WeakPolarHBondContact O-CB 2.99Å; A368-K371 PolarHBondContact O-N 3.41Å; A368-K371 VanDerWaalsContact O-N 3.15Å; A368-E372 PolarHBondContact O-N 3.19Å |
| 369 | A | 73.3 | Confident | 68.7 | Low | 52 Ų | 52 | 106 Ų | 106 | 43% | 0.43 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -58.8 | -40.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W365 E372 L373 | W365-A369 WeakPolarHBondContact O-CB 3.44Å; W365-A369 PolarHBondContact O-N 2.98Å; A369-E372 PolarHBondContact O-N 3.17Å; A369-L373 WeakPolarHBondContact O-CB 3.25Å; A369-L373 WeakPolarHBondContact O-CG 3.41Å; A369-L373 PolarHBondContact O-N 3.34Å |
| 370 | S | 76.5 | Confident | 66.2 | Low | 71 Ų | 71 | 112.1 Ų | 112.1 | 50% | 0.497 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.2 | -39.5 | 175.4 | -62.4 | 0 | 0 | 0 | 0 | 112.6 | N366 A367 A368 L373 S374 | N366-S370 VanDerWaalsContact O-CB 3.22Å; N366-S370 WeakPolarHBondContact O-CB 3.4Å; N366-S370 PolarHBondContact O-N 3.47Å; N366-S370 PolarHBondContact O-OG 3.42Å; A367-S370 PolarHBondContact O-N 3.3Å; A368-S370 VanDerWaalsContact C-N 3.29Å; A368-S370 PolarHBondContact O-N 3.44Å; S370-L373 PolarHBondContact O-N 2.96Å; S370-S374 WeakPolarHBondContact O-CB 3.42Å; S370-S374 PolarHBondContact O-N 3.18Å |
| 371 | K | 74 | Confident | 63.8 | Low | 156 Ų | 156 | 114.5 Ų | 114.5 | 68% | 0.678 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -60.4 | -46 | 172.7 | -84.6 | 179.7 | 177.2 | 175.6 | 0 | 111 | A367 A368 S374 S375 | A367-K371 WeakPolarHBondContact O-CB 3.4Å; A367-K371 WeakPolarHBondContact O-CG 3.32Å; A367-K371 PolarHBondContact O-N 3.45Å; A368-K371 WeakPolarHBondContact O-CB 2.99Å; A368-K371 PolarHBondContact O-N 3.41Å; A368-K371 VanDerWaalsContact O-N 3.15Å; K371-S374 PolarHBondContact O-N 2.88Å; K371-S374 PolarHBondContact O-OG 3.31Å; K371-S375 PolarHBondContact O-N 3.18Å |
| 372 | E | 67.5 | Low | 61.8 | Low | 99 Ų | 99 | 113.6 Ų | 113.6 | 46% | 0.463 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.5 | -39.3 | 178.9 | -169.2 | 173 | 155.9 | 0 | 0 | 113 | A368 A369 S374 S375 R376 | A368-E372 PolarHBondContact O-N 3.19Å; A369-E372 PolarHBondContact O-N 3.17Å; E372-S374 PolarHBondContact O-N 2.76Å; E372-S375 PolarHBondContact O-N 3.46Å; E372-S375 PolarHBondContact O-OG 3.26Å; E372-R376 HydrophobicContact CG-CG 4.41Å; E372-R376 WeakPolarHBondContact O-CB 3.49Å; E372-R376 WeakPolarHBondContact O-CG 3.25Å; E372-R376 PolarHBondContact O-N 3.1Å; E372-R376 IonicContact OE1-CZ 3.37Å; E372-R376 IonicContact OE1-NE 3.19Å; E372-R376 PolarHBondContact OE1-NE 3.15Å; E372-R376 IonicContact OE1-NH2 2.91Å; E372-R376 PolarHBondContact OE1-NH2 3.2Å |
| 373 | L | 56.9 | Low | 59.6 | Low | 116 Ų | 116 | 121 Ų | 121 | 61% | 0.607 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -61 | -35.2 | 171.4 | -74.8 | 167.5 | 0 | 0 | 0 | 112 | A369 S370 R377 | A369-L373 WeakPolarHBondContact O-CB 3.25Å; A369-L373 WeakPolarHBondContact O-CG 3.41Å; A369-L373 PolarHBondContact O-N 3.34Å; S370-L373 PolarHBondContact O-N 2.96Å; L373-R377 PolarHBondContact O-N 2.82Å |
| 374 | S | 60.6 | Low | 56.8 | Low | 64 Ų | 64 | 118.2 Ų | 118.2 | 45% | 0.448 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -71.5 | -37.9 | 176.3 | 83.7 | 0 | 0 | 0 | 0 | 113.1 | S370 K371 E372 R377 K378 | S370-S374 WeakPolarHBondContact O-CB 3.42Å; S370-S374 PolarHBondContact O-N 3.18Å; K371-S374 PolarHBondContact O-N 2.88Å; K371-S374 PolarHBondContact O-OG 3.31Å; E372-S374 PolarHBondContact O-N 2.76Å; S374-R377 PolarHBondContact O-N 3.07Å; S374-K378 PolarHBondContact O-N 3.03Å; S374-K378 VanDerWaalsContact O-N 3.09Å |
| 375 | S | 55.3 | Low | 54 | Low | 72 Ų | 72 | 116.3 Ų | 116.3 | 50% | 0.503 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -69.3 | -42.5 | 176.6 | 68.3 | 0 | 0 | 0 | 0 | 110.7 | K371 E372 R377 K378 G379 | K371-S375 PolarHBondContact O-N 3.18Å; E372-S375 PolarHBondContact O-N 3.46Å; E372-S375 PolarHBondContact O-OG 3.26Å; S375-R377 VanDerWaalsContact C-N 3.34Å; S375-R377 PolarHBondContact O-N 3Å; S375-K378 PolarHBondContact O-N 3.22Å; S375-G379 PolarHBondContact O-N 3.1Å |
| 376 | R | 48.4 | Very low | 52 | Low | 139 Ų | 139 | 112.9 Ų | 112.9 | 53% | 0.525 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -60 | -39.6 | 172.4 | -70.5 | 176.5 | -179.7 | -122.9 | 4.2 | 112.1 | E372 G379 | E372-R376 HydrophobicContact CG-CG 4.41Å; E372-R376 WeakPolarHBondContact O-CB 3.49Å; E372-R376 WeakPolarHBondContact O-CG 3.25Å; E372-R376 PolarHBondContact O-N 3.1Å; E372-R376 IonicContact OE1-CZ 3.37Å; E372-R376 IonicContact OE1-NE 3.19Å; E372-R376 PolarHBondContact OE1-NE 3.15Å; E372-R376 IonicContact OE1-NH2 2.91Å; E372-R376 PolarHBondContact OE1-NH2 3.2Å; R376-G379 PolarHBondContact O-N 2.76Å |
| 377 | R | 46.7 | Very low | 49.7 | Very low | 216 Ų | 216 | 116.5 Ų | 116.5 | 82% | 0.815 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65.8 | -36.1 | 174 | -84.3 | -168.6 | 177.4 | -166.9 | 1.6 | 113.6 | L373 S374 S375 G379 F380 | L373-R377 PolarHBondContact O-N 2.82Å; S374-R377 PolarHBondContact O-N 3.07Å; S375-R377 VanDerWaalsContact C-N 3.34Å; S375-R377 PolarHBondContact O-N 3Å; R377-G379 PolarHBondContact O-N 3.25Å; R377-F380 PolarHBondContact O-N 3.33Å |
| 378 | K | 45.5 | Very low | 46.8 | Very low | 188 Ų | 188 | 123 Ų | 123 | 82% | 0.817 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -69.1 | -10.9 | 176 | -76.6 | -173.8 | 175.1 | -178.1 | 0 | 113.9 | S374 S375 | S374-K378 PolarHBondContact O-N 3.03Å; S374-K378 VanDerWaalsContact O-N 3.09Å; S375-K378 PolarHBondContact O-N 3.22Å |
| 379 | G | 40.6 | Very low | 44.2 | Very low | 61 Ų | 61 | 128.9 Ų | 128.9 | 63% | 0.629 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -13.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | S375 R376 R377 | S375-G379 PolarHBondContact O-N 3.1Å; R376-G379 PolarHBondContact O-N 2.76Å; R377-G379 PolarHBondContact O-N 3.25Å |
| 380 | F | 31.4 | Very low | 42.1 | Very low | 197 Ų | 197 | 134.5 Ų | 134.5 | 86% | 0.864 | 70% | 0.701 | S | S | * | * | trans | -113.9 | 78.7 | -175 | -77.6 | -83.9 | 0 | 0 | 0 | 112.5 | R377 | R377-F380 PolarHBondContact O-N 3.33Š| ||
| 381 | S | 30.7 | Very low | 39.5 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 72% | 0.72 | 71% | 0.714 | S | S | * | * | trans | -141.1 | 125.4 | 169.4 | -172.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 382 | S | 33.3 | Very low | 37.1 | Very low | 94 Ų | 94 | 133.9 Ų | 133.9 | 66% | 0.657 | 71% | 0.712 | S | S | * | * | trans | 70.9 | 140.2 | 170.3 | 84.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 383 | K | 29.7 | Very low | 34.9 | Very low | 203 Ų | 203 | 139.3 Ų | 139.3 | 88% | 0.883 | 73% | 0.728 | S | S | * | * | trans | 65.8 | 125.8 | 160.6 | -59.7 | 170.2 | -174.8 | 176.9 | 0 | 116.4 | ||||
| 384 | A | 28.7 | Very low | 33.3 | Very low | 98 Ų | 98 | 144.8 Ų | 144.8 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | cis | -152.8 | 154.4 | 1.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 385 | A | 25.8 | Very low | 31.6 | Very low | 79 Ų | 79 | 145.3 Ų | 145.3 | 65% | 0.653 | 76% | 0.756 | S | S | * | * | trans | -81.7 | -179.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 386 | D | 28.7 | Very low | 30 | Very low | 147 Ų | 147 | 151.8 Ų | 151.8 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | 62 | 86.1 | 162.8 | -49.7 | -35.2 | 0 | 0 | 0 | 117.6 | ||||
| 387 | H | 29.7 | Very low | 29.1 | Very low | 184 Ų | 184 | 149 Ų | 149 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | -160.8 | 129.6 | 91.8 | -123.7 | -88.1 | 0 | 0 | 0 | 113.4 | |||||
| 388 | F | 21.4 | Very low | 28 | Very low | 189 Ų | 189 | 148.5 Ų | 148.5 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | -98.7 | 153.1 | 169.2 | -129.6 | -93.5 | 0 | 0 | 0 | 109.8 | ||||
| 389 | K | 24.4 | Very low | 27.2 | Very low | 178 Ų | 178 | 147.6 Ų | 147.6 | 77% | 0.774 | 80% | 0.798 | S | S | * | * | trans | 64.5 | 115.3 | 176.5 | -50.4 | 173.7 | -175.8 | 171.6 | 0 | 113.6 | ||||
| 390 | N | 28.4 | Very low | 26.9 | Very low | 171 Ų | 171 | 149.9 Ų | 149.9 | 91% | 0.914 | 80% | 0.802 | S | S | * | * | -140.7 | 163.9 | 83.4 | -101.4 | -29.4 | 0 | 0 | 0 | 114.3 | |||||
| 391 | S | 22.4 | Very low | 26.4 | Very low | 109 Ų | 109 | 145.3 Ų | 145.3 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -132.5 | -169.8 | -178.6 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 392 | V | 23.3 | Very low | 26 | Very low | 104 Ų | 104 | 145.6 Ų | 145.6 | 63% | 0.63 | 80% | 0.796 | S | S | * | * | trans | 90.8 | 96.9 | 161.5 | -170.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 393 | R | 21.6 | Very low | 25.8 | Very low | 213 Ų | 213 | 148.3 Ų | 148.3 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | 73.6 | 163.7 | 145.5 | -63.3 | 171.9 | -173.9 | 163.6 | -0.9 | 116 | ||||
| 394 | R | 22.9 | Very low | 25.4 | Very low | 232 Ų | 232 | 143.8 Ų | 143.8 | 88% | 0.875 | 80% | 0.803 | S | S | * | * | cis | -156.5 | 165.2 | 9.6 | -141.9 | 165.5 | -166.9 | 173.3 | 0.6 | 110.7 | ||||
| 395 | G | 24.1 | Very low | 25.4 | Very low | 75 Ų | 75 | 147.1 Ų | 147.1 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | 109.4 | 114.5 | 150.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 396 | H | 22.7 | Very low | 25.2 | Very low | 207 Ų | 207 | 151.3 Ų | 151.3 | 96% | 0.958 | 82% | 0.815 | S | S | * | * | trans | -94.6 | 153.1 | 159.8 | -85.5 | -87.5 | 0 | 0 | 0 | 110.1 | ||||
| 397 | G | 28.6 | Very low | 25 | Very low | 80 Ų | 80 | 151.1 Ų | 151.1 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -148.6 | 132.6 | 162 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 398 | K | 24.3 | Very low | 24.6 | Very low | 207 Ų | 207 | 152.1 Ų | 152.1 | 90% | 0.9 | 82% | 0.819 | S | S | * | * | trans | -118.7 | 136.5 | 170.6 | -74.3 | -176.9 | 176.4 | -177.3 | 0 | 108.3 | ||||
| 399 | I | 27.7 | Very low | 24.9 | Very low | 168 Ų | 168 | 149.3 Ų | 149.3 | 86% | 0.862 | 82% | 0.817 | S | S | * | * | trans | -139.8 | 145 | 156.6 | -61.5 | -174.3 | 0 | 0 | 0 | 107.5 | ||||
| 400 | P | 36.2 | Very low | 24.8 | Very low | 110 Ų | 110 | 146.3 Ų | 146.3 | 71% | 0.714 | 82% | 0.819 | S | S | * | * | trans | -122.7 | -167 | -168.4 | 42.8 | -28.2 | 0 | 0 | 0 | 115.1 | ||||
| 401 | S | 21 | Very low | 24.4 | Very low | 101 Ų | 101 | 143.7 Ų | 143.7 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | trans | 78 | 122.8 | 149.1 | 53.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 402 | S | 22 | Very low | 24.4 | Very low | 108 Ų | 108 | 147.6 Ų | 147.6 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | trans | 61.8 | 122.3 | 136.5 | 62.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 403 | T | 29.3 | Very low | 24.4 | Very low | 151 Ų | 151 | 148.4 Ų | 148.4 | 93% | 0.926 | 82% | 0.821 | S | S | * | * | -152.7 | 150.6 | 124.5 | 2.9 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 404 | S | 21.2 | Very low | 24.6 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | trans | -119.7 | 155.5 | -179.1 | 53.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 405 | L | 28.1 | Very low | 24.5 | Very low | 169 Ų | 169 | 138.4 Ų | 138.4 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | trans | -161.5 | 144.6 | 149 | -107.7 | 153.4 | 0 | 0 | 0 | 109.7 | ||||
| 406 | M | 21.1 | Very low | 24.6 | Very low | 166 Ų | 166 | 138.7 Ų | 138.7 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -97.7 | 162.3 | 169 | -74 | 176.3 | 151 | 0 | 0 | 109.2 | ||||
| 407 | D | 24.8 | Very low | 24.6 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | 178.5 | 100.9 | 120.8 | -88.7 | -12.3 | 0 | 0 | 0 | 109.8 | |||||
| 408 | E | 21.4 | Very low | 24.4 | Very low | 204 Ų | 204 | 137 Ų | 137 | 95% | 0.953 | 79% | 0.786 | S | S | * | * | trans | -83.9 | 122.3 | 160.5 | -71.4 | -164.1 | 157.7 | 0 | 0 | 108.6 | ||||
| 409 | T | 27.6 | Very low | 24.3 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | trans | -111.7 | 123.6 | -178.5 | 41.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 410 | S | 21.6 | Very low | 24 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -76.3 | 136.1 | -176.7 | 58.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 411 | C | 19.8 | Very low | 23.5 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | -151.9 | 102.9 | 155.6 | -105.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 412 | K | 22.8 | Very low | 23.6 | Very low | 190 Ų | 190 | 130.1 Ų | 130.1 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | trans | 52.4 | 99 | 133.1 | -64.8 | 178.1 | 178.6 | 175.8 | 0 | 120 | ||||
| 413 | V | 24.5 | Very low | 23.9 | Very low | 121 Ų | 121 | 134 Ų | 134 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | trans | -23.7 | 138.6 | 136.5 | 178.9 | 0 | 0 | 0 | 0 | 114.6 | C415 | V413-C415 HydrophobicContact CG1-CB 4.05Š| ||
| 414 | P | 25.2 | Very low | 23.6 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | -130.7 | 100.4 | 126.3 | 34.5 | -24.3 | 0 | 0 | 0 | 112.6 | G416 | P414-G416 PolarHBondContact O-N 3.45Š| |||
| 415 | C | 21.4 | Very low | 24 | Very low | 108 Ų | 108 | 139 Ų | 139 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | trans | -81.9 | 103.9 | 173.8 | -81.2 | 0 | 0 | 0 | 0 | 111.3 | V413 V417 | V413-C415 HydrophobicContact CG1-CB 4.05Å; C415-V417 VanDerWaalsContact C-N 3.35Å; C415-V417 PolarHBondContact O-N 3.09Å; C415-V417 VanDerWaalsContact O-N 3.11Å | ||
| 416 | G | 25 | Very low | 23.8 | Very low | 81 Ų | 81 | 135.5 Ų | 135.5 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | trans | -81.9 | 66.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | P414 | P414-G416 PolarHBondContact O-N 3.45Š| ||
| 417 | V | 24.1 | Very low | 24 | Very low | 73 Ų | 73 | 130.9 Ų | 130.9 | 44% | 0.442 | 75% | 0.75 | S | S | . | * | trans | -60.9 | 140.3 | 176.1 | 170.1 | 0 | 0 | 0 | 0 | 111.7 | C415 I419 R610 | C415-V417 VanDerWaalsContact C-N 3.35Å; C415-V417 PolarHBondContact O-N 3.09Å; C415-V417 VanDerWaalsContact O-N 3.11Å; V417-I419 HydrophobicContact CG1-CD1 3.78Å; V417-I419 HydrophobicContact CG1-CG1 3.63Å; V417-R610 PolarHBondContact O-NE 2.85Å; V417-R610 PolarHBondContact O-NH1 2.76Å; V417-R610 VanDerWaalsContact O-NH1 3.1Å; V417-R610 PolarHBondContact O-NH2 3.47Å; V417-R610 VanDerWaalsContact O-NH2 3.07Å | ||
| 418 | R | 23.1 | Very low | 24.3 | Very low | 180 Ų | 180 | 134.1 Ų | 134.1 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | trans | -131.4 | 158 | 150.7 | -72 | -166.2 | 177.5 | -174.9 | 0.7 | 108.6 | R610 | R418-R610 HydrophobicContact CB-CG 4.38Å; R418-R610 HydrophobicContact CG-CG 4.41Å | ||
| 419 | I | 22.9 | Very low | 24.3 | Very low | 64 Ų | 64 | 129 Ų | 129 | 33% | 0.328 | 74% | 0.735 | S | S | . | * | trans | -133.4 | 148.6 | -162.3 | -72.3 | 164.8 | 0 | 0 | 0 | 109.8 | V417 R610 H611 T612 | V417-I419 HydrophobicContact CG1-CD1 3.78Å; V417-I419 HydrophobicContact CG1-CG1 3.63Å; I419-R610 HydrophobicContact CB-CG 4.43Å; I419-H611 WeakPolarHBondContact CB-O 3.36Å; I419-H611 WeakPolarHBondContact CG2-O 3.46Å; I419-T612 HydrophobicContact CD1-CG2 3.61Å | ||
| 420 | S | 22 | Very low | 24.4 | Very low | 85 Ų | 85 | 133.8 Ų | 133.8 | 59% | 0.594 | 74% | 0.738 | S | S | * | * | trans | -8.5 | 134.1 | 174.8 | 60.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 421 | E | 24.7 | Very low | 24.6 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 81% | 0.808 | 74% | 0.737 | S | S | * | * | trans | -125.1 | 148.7 | 131.9 | -94.4 | 143.8 | -153.1 | 0 | 0 | 107.1 | ||||
| 422 | V | 23.9 | Very low | 24.9 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 72% | 0.715 | 74% | 0.742 | S | S | * | * | trans | -132.6 | 123.6 | 178.7 | 174.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 423 | E | 27 | Very low | 25.1 | Very low | 189 Ų | 189 | 138 Ų | 138 | 88% | 0.883 | 74% | 0.738 | S | S | * | * | trans | -133.3 | 125.5 | 166 | -69.5 | -166.4 | 141.7 | 0 | 0 | 108.4 | ||||
| 424 | D | 24.3 | Very low | 25 | Very low | 147 Ų | 147 | 138 Ų | 138 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | trans | -76.9 | 133.8 | 178.6 | -58.4 | -72.6 | 0 | 0 | 0 | 110.8 | ||||
| 425 | F | 28.5 | Very low | 25.1 | Very low | 217 Ų | 217 | 137.4 Ų | 137.4 | 95% | 0.952 | 74% | 0.738 | S | S | * | * | trans | -141.5 | 126.5 | 159.1 | -111.7 | -79.7 | 0 | 0 | 0 | 111.5 | ||||
| 426 | A | 24.6 | Very low | 25.3 | Very low | 97 Ų | 97 | 137.2 Ų | 137.2 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | trans | -90.9 | 154.9 | -164.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 427 | G | 25.8 | Very low | 25.4 | Very low | 68 Ų | 68 | 141.5 Ų | 141.5 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | trans | 50 | 97.4 | 141.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 428 | K | 30.5 | Very low | 25.3 | Very low | 213 Ų | 213 | 142.4 Ų | 142.4 | 93% | 0.926 | 75% | 0.75 | S | S | * | * | trans | -147.5 | 96.4 | 148 | -120.3 | 162.8 | -169.9 | 168.6 | 0 | 112.2 | ||||
| 429 | M | 21.7 | Very low | 25.4 | Very low | 95 Ų | 95 | 139.3 Ų | 139.3 | 47% | 0.468 | 76% | 0.756 | S | S | . | * | trans | -77.9 | 133.7 | -179.8 | -68.9 | 169.6 | -178.6 | 0 | 0 | 110.5 | L1110 N1111 | M429-L1110 HydrophobicContact CB-CD2 4.01Å; M429-L1110 HydrophobicContact CB-CG 4.13Å; M429-L1110 HydrophobicContact CG-CD2 4.41Å; M429-L1110 HydrophobicContact CG-CG 3.97Å; M429-L1110 VanDerWaalsContact SD-CA 3.56Å; M429-L1110 HydrophobicContact SD-CB 3.84Å; M429-L1110 HydrophobicContact SD-CD2 4.42Å; M429-L1110 HydrophobicContact SD-CG 3.78Å; M429-N1111 HydrophobicContact CE-CB 4.2Å; M429-N1111 VanDerWaalsContact CE-N 3.31Å; M429-N1111 VanDerWaalsContact CE-O 3.25Å; M429-N1111 WeakPolarHBondContact CE-O 3.41Å | ||
| 430 | R | 28.2 | Very low | 25.7 | Very low | 231 Ų | 231 | 140.9 Ų | 140.9 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | -111.7 | 111.4 | -176.2 | -168.8 | 173.9 | -173.6 | 168.4 | 1.6 | 108.7 | ||||
| 431 | K | 27.4 | Very low | 25.7 | Very low | 181 Ų | 181 | 148.4 Ų | 148.4 | 79% | 0.787 | 80% | 0.796 | S | S | * | * | trans | -56.2 | 149.5 | 174.3 | -84.1 | -173.3 | 172.9 | -177.9 | 0 | 110.7 | N433 | K431-N433 PolarHBondContact O-N 2.92Š| ||
| 432 | Q | 26.2 | Very low | 25.8 | Very low | 188 Ų | 188 | 144.3 Ų | 144.3 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -67.8 | 119.5 | -179.9 | -66.3 | 164.5 | -21.6 | 0 | 0 | 109.8 | ||||
| 433 | N | 26.9 | Very low | 25.9 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | -92.2 | 115.8 | 164.8 | -83.5 | 19.7 | 0 | 0 | 0 | 108.6 | K431 T435 | K431-N433 PolarHBondContact O-N 2.92Å; N433-T435 VanDerWaalsContact C-N 3.33Å; N433-T435 PolarHBondContact O-N 2.84Å | ||
| 434 | S | 21.8 | Very low | 25.8 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -70.6 | 85.2 | 165.8 | 49.5 | 0 | 0 | 0 | 0 | 110.1 | S436 | S434-S436 PolarHBondContact O-N 3.28Å; S434-S436 VanDerWaalsContact O-N 3.14Å | ||
| 435 | T | 28.3 | Very low | 25.7 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | -75.4 | 98.7 | 169.5 | 44.6 | 0 | 0 | 0 | 0 | 110 | N433 L437 | N433-T435 VanDerWaalsContact C-N 3.33Å; N433-T435 PolarHBondContact O-N 2.84Å; T435-L437 PolarHBondContact O-N 3.41Å | ||
| 436 | S | 23.7 | Very low | 25.7 | Very low | 104 Ų | 104 | 143.6 Ų | 143.6 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -55 | 119.2 | 166.4 | 50.9 | 0 | 0 | 0 | 0 | 110.9 | S434 S438 | S434-S436 PolarHBondContact O-N 3.28Å; S434-S436 VanDerWaalsContact O-N 3.14Å; S436-S438 PolarHBondContact O-N 2.98Å | ||
| 437 | L | 28.1 | Very low | 25.8 | Very low | 172 Ų | 172 | 144.6 Ų | 144.6 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | trans | -98.5 | 71.8 | 173.8 | -78.5 | 170.5 | 0 | 0 | 0 | 110.8 | T435 | T435-L437 PolarHBondContact O-N 3.41Š| ||
| 438 | S | 22.3 | Very low | 25.8 | Very low | 91 Ų | 91 | 152.8 Ų | 152.8 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | trans | -77 | 160.4 | 158.5 | 56.1 | 0 | 0 | 0 | 0 | 110.7 | S436 | S436-S438 PolarHBondContact O-N 2.98Š| ||
| 439 | S | 25.7 | Very low | 25.6 | Very low | 115 Ų | 115 | 147.7 Ų | 147.7 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 54.3 | 88.9 | 169.9 | 58.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 440 | A | 27.5 | Very low | 25.7 | Very low | 98 Ų | 98 | 145.3 Ų | 145.3 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -136.7 | 33.4 | 156.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A442 | A440-A442 PolarHBondContact O-N 3.13Š| ||
| 441 | Y | 22 | Very low | 25.6 | Very low | 242 Ų | 242 | 145.7 Ų | 145.7 | 95% | 0.949 | 79% | 0.789 | S | S | * | * | trans | -69.8 | 107.3 | 168.7 | -98 | -97.9 | 0 | 0 | 0 | 109.2 | ||||
| 442 | A | 26.4 | Very low | 25.3 | Very low | 88 Ų | 88 | 140.5 Ų | 140.5 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -127.8 | 85.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | A440 R444 | A440-A442 PolarHBondContact O-N 3.13Å; A442-R444 PolarHBondContact O-N 3.32Å | ||
| 443 | A | 26 | Very low | 25.4 | Very low | 99 Ų | 99 | 140.6 Ų | 140.6 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -61 | 123.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 444 | R | 25.8 | Very low | 25.2 | Very low | 220 Ų | 220 | 138.3 Ų | 138.3 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | trans | -115.9 | 73.3 | -177.5 | -155 | 176.4 | -161 | 168.3 | 7.1 | 110.5 | A442 H446 | A442-R444 PolarHBondContact O-N 3.32Å; R444-H446 PolarHBondContact O-N 3.37Å | ||
| 445 | E | 22.2 | Very low | 25.3 | Very low | 178 Ų | 178 | 138.4 Ų | 138.4 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | -59.4 | 119.2 | 176.7 | -66.5 | -151.4 | 118 | 0 | 0 | 111.4 | ||||
| 446 | H | 29.7 | Very low | 25 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | -102 | 96.4 | 168.6 | -90.3 | -71.5 | 0 | 0 | 0 | 109.6 | R444 R448 | R444-H446 PolarHBondContact O-N 3.37Å; H446-R448 PolarHBondContact O-N 2.99Å | ||
| 447 | S | 25 | Very low | 25 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -53.7 | 118 | -177.9 | -38.5 | 0 | 0 | 0 | 0 | 111.8 | S449 | S447-S449 PolarHBondContact O-N 3.45Š| ||
| 448 | R | 25.6 | Very low | 24.8 | Very low | 240 Ų | 240 | 133.2 Ų | 133.2 | 91% | 0.906 | 77% | 0.769 | S | S | * | * | trans | -83.8 | 108 | 175.3 | -74.6 | -178 | 171.7 | 177.5 | -0.7 | 110.3 | H446 G450 | H446-R448 PolarHBondContact O-N 2.99Å; R448-G450 PolarHBondContact O-N 2.96Å | ||
| 449 | S | 27.1 | Very low | 24.9 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -61 | 127.6 | 171 | 59 | 0 | 0 | 0 | 0 | 111.3 | S447 | S447-S449 PolarHBondContact O-N 3.45Š| ||
| 450 | G | 23.7 | Very low | 24.7 | Very low | 44 Ų | 44 | 138.9 Ų | 138.9 | 45% | 0.454 | 78% | 0.782 | S | S | . | * | trans | -72.7 | 149.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R448 T1685 | R448-G450 PolarHBondContact O-N 2.96Å; G450-T1685 PolarHBondContact N-OG1 2.75Å | ||
| 451 | R | 25.8 | Very low | 24.6 | Very low | 240 Ų | 240 | 138.2 Ų | 138.2 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | trans | -143.5 | 89.3 | 157.3 | -80.2 | -161.2 | 174.2 | -150.4 | -2.3 | 110.4 | ||||
| 452 | S | 22.2 | Very low | 24.5 | Very low | 71 Ų | 71 | 131.5 Ų | 131.5 | 50% | 0.497 | 77% | 0.772 | S | S | . | * | trans | -68.7 | 133.3 | 164.9 | 50.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 453 | F | 27.2 | Very low | 24.4 | Very low | 191 Ų | 191 | 132.1 Ų | 132.1 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | -154.3 | 97.6 | 157.9 | -96.5 | -64.3 | 0 | 0 | 0 | 111.8 | ||||
| 454 | S | 23.2 | Very low | 24.3 | Very low | 93 Ų | 93 | 135 Ų | 135 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | trans | 33.2 | 108.9 | 141.5 | 61.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 455 | S | 22.9 | Very low | 24.3 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | 27.5 | 109.9 | 127.7 | 61.7 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 456 | G | 23.5 | Very low | 24.4 | Very low | 79 Ų | 79 | 129.4 Ų | 129.4 | 81% | 0.814 | 76% | 0.764 | S | S | * | * | trans | -147 | 124 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 457 | S | 22.9 | Very low | 24.2 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | trans | -88.3 | 166.7 | -173.9 | -167.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 458 | A | 23.5 | Very low | 24.2 | Very low | 74 Ų | 74 | 126 Ų | 126 | 61% | 0.612 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 80.9 | 127.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | L460 | A458-L460 PolarHBondContact O-N 3.25Š|
| 459 | D | 24.9 | Very low | 24.2 | Very low | 159 Ų | 159 | 121.2 Ų | 121.2 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | trans | 62.7 | 45.5 | 133.9 | -56.6 | -11.4 | 0 | 0 | 0 | 120.5 | G461 | D459-G461 PolarHBondContact O-N 3.4Š| ||
| 460 | L | 22.5 | Very low | 24.1 | Very low | 166 Ų | 166 | 122 Ų | 122 | 87% | 0.869 | 75% | 0.753 | S | S | * | * | trans | -75.3 | 69.4 | 156.2 | -80.8 | 176.5 | 0 | 0 | 0 | 112.7 | A458 C462 | A458-L460 PolarHBondContact O-N 3.25Å; L460-C462 PolarHBondContact O-N 3.34Å | ||
| 461 | G | 24.8 | Very low | 24.2 | Very low | 84 Ų | 84 | 126.4 Ų | 126.4 | 87% | 0.866 | 76% | 0.762 | S | S | * | * | trans | -66.9 | 73.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D459 | D459-G461 PolarHBondContact O-N 3.4Š| ||
| 462 | C | 20.7 | Very low | 24.2 | Very low | 101 Ų | 101 | 120.1 Ų | 120.1 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | trans | -104.7 | 117.8 | -173.7 | -154.9 | 0 | 0 | 0 | 0 | 112.8 | L460 L464 | L460-C462 PolarHBondContact O-N 3.34Å; C462-L464 PolarHBondContact O-N 3.26Å | ||
| 463 | S | 24.2 | Very low | 24.3 | Very low | 102 Ų | 102 | 123.5 Ų | 123.5 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | -72.9 | 95.1 | 178.3 | -176.1 | 0 | 0 | 0 | 0 | 111.1 | K465 | S463-K465 PolarHBondContact O-N 3.48Š| ||
| 464 | L | 23.7 | Very low | 24.3 | Very low | 159 Ų | 159 | 120.4 Ų | 120.4 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | trans | -66.8 | 91 | 171.3 | -90.4 | 165.4 | 0 | 0 | 0 | 110.9 | C462 S466 | C462-L464 PolarHBondContact O-N 3.26Å; L464-S466 VanDerWaalsContact C-N 3.34Å; L464-S466 PolarHBondContact O-N 3.02Å; L464-S466 VanDerWaalsContact O-N 3.09Å | ||
| 465 | K | 24.7 | Very low | 24.4 | Very low | 172 Ų | 172 | 123.1 Ų | 123.1 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -74.5 | 87.7 | 164 | -68.6 | -179 | -179.5 | 176.6 | 0 | 109.5 | S463 D467 | S463-K465 PolarHBondContact O-N 3.48Å; K465-D467 PolarHBondContact O-N 2.87Å; K465-D467 VanDerWaalsContact O-N 3.15Å | ||
| 466 | S | 24.6 | Very low | 24.5 | Very low | 108 Ų | 108 | 123.3 Ų | 123.3 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | -73 | 94.1 | 159.8 | 51.4 | 0 | 0 | 0 | 0 | 108.7 | L464 G468 | L464-S466 VanDerWaalsContact C-N 3.34Å; L464-S466 PolarHBondContact O-N 3.02Å; L464-S466 VanDerWaalsContact O-N 3.09Å; S466-G468 PolarHBondContact O-N 2.77Å | ||
| 467 | D | 25.7 | Very low | 24.6 | Very low | 153 Ų | 153 | 124.6 Ų | 124.6 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -70.6 | 56.5 | 168.1 | -77.4 | -39.1 | 0 | 0 | 0 | 110.5 | K465 | K465-D467 PolarHBondContact O-N 2.87Å; K465-D467 VanDerWaalsContact O-N 3.15Å | ||
| 468 | G | 25.3 | Very low | 24.6 | Very low | 54 Ų | 54 | 127.2 Ų | 127.2 | 56% | 0.557 | 75% | 0.748 | S | S | * | * | trans | -74.8 | 125.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | S466 T470 | S466-G468 PolarHBondContact O-N 2.77Å; G468-T470 VanDerWaalsContact C-N 3.31Å; G468-T470 PolarHBondContact O-N 3.08Å | ||
| 469 | V | 25.8 | Very low | 24.7 | Very low | 139 Ų | 139 | 129 Ų | 129 | 84% | 0.842 | 75% | 0.753 | S | S | * | * | trans | -74.2 | 83.4 | -172.6 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | E471 | V469-E471 PolarHBondContact O-N 3.33Å; V469-E471 VanDerWaalsContact O-N 3.12Å | ||
| 470 | T | 24.6 | Very low | 24.6 | Very low | 123 Ų | 123 | 127 Ų | 127 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | -70.9 | 100.4 | 164.4 | 54.1 | 0 | 0 | 0 | 0 | 108.7 | G468 S472 | G468-T470 VanDerWaalsContact C-N 3.31Å; G468-T470 PolarHBondContact O-N 3.08Å; T470-S472 PolarHBondContact O-N 3.44Å | ||
| 471 | E | 25.7 | Very low | 24.7 | Very low | 136 Ų | 136 | 127 Ų | 127 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | trans | -63.7 | 89.3 | 163.2 | -74.9 | -165.1 | 140.7 | 0 | 0 | 109.1 | K190 V469 L473 | K190-E471 IonicContact NZ-OE2 2.69Å; K190-E471 PolarHBondContact NZ-OE2 2.91Å; V469-E471 PolarHBondContact O-N 3.33Å; V469-E471 VanDerWaalsContact O-N 3.12Å; E471-L473 PolarHBondContact O-N 3.46Å | ||
| 472 | S | 26 | Very low | 24.6 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | -70.6 | 89.2 | -178.2 | 42.5 | 0 | 0 | 0 | 0 | 110.7 | T470 N474 | T470-S472 PolarHBondContact O-N 3.44Å; S472-N474 PolarHBondContact O-N 2.84Å | ||
| 473 | L | 24.3 | Very low | 24.6 | Very low | 143 Ų | 143 | 140.3 Ų | 140.3 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | trans | -52.8 | 121.4 | 175.3 | -72.2 | 172.1 | 0 | 0 | 0 | 110.2 | E471 L475 | E471-L473 PolarHBondContact O-N 3.46Å; L473-L475 PolarHBondContact O-N 3.18Å | ||
| 474 | N | 26.2 | Very low | 24.7 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 67% | 0.668 | 77% | 0.767 | S | S | * | * | trans | -80.3 | 84.7 | -161.1 | -174.2 | -2.4 | 0 | 0 | 0 | 112.5 | S472 N476 S477 | S472-N474 PolarHBondContact O-N 2.84Å; N474-N476 PolarHBondContact O-N 2.7Å; N474-N476 PolarHBondContact OD1-N 3.08Å; N474-S477 PolarHBondContact O-N 2.96Å | ||
| 475 | L | 25.2 | Very low | 24.7 | Very low | 151 Ų | 151 | 141 Ų | 141 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -66.9 | 7.5 | -179 | -71.8 | 172.6 | 0 | 0 | 0 | 115.7 | L473 S477 | L473-L475 PolarHBondContact O-N 3.18Å; L475-S477 VanDerWaalsContact C-N 3.32Å |
| 476 | N | 26 | Very low | 24.6 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -87.5 | 8.9 | 172.9 | -71.5 | -19.9 | 0 | 0 | 0 | 113.9 | N474 F478 | N474-N476 PolarHBondContact O-N 2.7Å; N474-N476 PolarHBondContact OD1-N 3.08Å; N476-F478 VanDerWaalsContact C-N 3.35Å |
| 477 | S | 25.2 | Very low | 24.6 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -86.9 | 8.8 | 177.7 | -166 | 0 | 0 | 0 | 0 | 115.1 | N474 L475 P479 | N474-S477 PolarHBondContact O-N 2.96Å; L475-S477 VanDerWaalsContact C-N 3.32Å; S477-P479 WeakPolarHBondContact O-CD 3.32Å |
| 478 | F | 22.9 | Very low | 24.5 | Very low | 183 Ų | 183 | 135 Ų | 135 | 80% | 0.803 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -90.1 | 110.4 | 168.1 | -89.2 | -80.7 | 0 | 0 | 0 | 110.4 | N476 S480 | N476-F478 VanDerWaalsContact C-N 3.35Å; F478-S480 PolarHBondContact O-N 3.01Å |
| 479 | P | 25.8 | Very low | 24.4 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | trans | -71.9 | 126.9 | -175.6 | 28.7 | -34.2 | 0 | 0 | 0 | 111 | S477 I481 | S477-P479 WeakPolarHBondContact O-CD 3.32Å; P479-I481 PolarHBondContact O-N 3.35Å | ||
| 480 | S | 23.4 | Very low | 24.3 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -56.4 | 105.9 | -179.3 | -50 | 0 | 0 | 0 | 0 | 112.1 | F478 R482 | F478-S480 PolarHBondContact O-N 3.01Å; S480-R482 PolarHBondContact O-N 3.05Å | ||
| 481 | I | 24.2 | Very low | 24.4 | Very low | 167 Ų | 167 | 137 Ų | 137 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | -63.9 | 103.8 | 172.4 | -60.9 | 177.5 | 0 | 0 | 0 | 107.7 | P479 R483 | P479-I481 PolarHBondContact O-N 3.35Å; I481-R483 PolarHBondContact O-N 2.7Å | ||
| 482 | R | 23.4 | Very low | 24.4 | Very low | 219 Ų | 219 | 136.9 Ų | 136.9 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | trans | -59.9 | 125.8 | 173.4 | -70.9 | -179.4 | 176.2 | 173 | -1.8 | 108.4 | S480 L484 | S480-R482 PolarHBondContact O-N 3.05Å; R482-L484 PolarHBondContact O-N 3.45Å | ||
| 483 | R | 21 | Very low | 24.2 | Very low | 246 Ų | 246 | 137 Ų | 137 | 93% | 0.928 | 79% | 0.786 | S | S | * | * | trans | -58.9 | 102.6 | 158.4 | -70.6 | 179.1 | 179.1 | 164.5 | -1.6 | 107.3 | I481 | I481-R483 PolarHBondContact O-N 2.7Š| ||
| 484 | L | 25.1 | Very low | 24.1 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -80.7 | 127.3 | 159.8 | -72.1 | 174.8 | 0 | 0 | 0 | 107 | R482 | R482-L484 PolarHBondContact O-N 3.45Š| ||
| 485 | S | 23.7 | Very low | 24.1 | Very low | 114 Ų | 114 | 136 Ų | 136 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -63.9 | 156.7 | -169.8 | -56.1 | 0 | 0 | 0 | 0 | 112.8 | G487 | S485-G487 PolarHBondContact O-N 3.02Š| ||
| 486 | S | 23.1 | Very low | 23.9 | Very low | 123 Ų | 123 | 139.5 Ų | 139.5 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -49 | 106.4 | 172.4 | 49.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 487 | G | 24.8 | Very low | 23.8 | Very low | 73 Ų | 73 | 145.4 Ų | 145.4 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 139.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | S485 | S485-G487 PolarHBondContact O-N 3.02Š|
| 488 | S | 24.1 | Very low | 23.7 | Very low | 112 Ų | 112 | 151.3 Ų | 151.3 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 147.2 | -170.7 | 46.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 489 | S | 21.2 | Very low | 23.8 | Very low | 110 Ų | 110 | 152.8 Ų | 152.8 | 77% | 0.769 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 136.1 | 171 | 54 | 0 | 0 | 0 | 0 | 112.7 | ||
| 490 | T | 24.2 | Very low | 23.7 | Very low | 129 Ų | 129 | 150.5 Ų | 150.5 | 79% | 0.791 | 83% | 0.827 | S | S | * | * | trans | -130.2 | 107.1 | 162.3 | 44.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 491 | P | 27.9 | Very low | 23.8 | Very low | 119 Ų | 119 | 154.4 Ų | 154.4 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | trans | -95.3 | 123.9 | -177.3 | 33.7 | -30.6 | 0 | 0 | 0 | 112.3 | ||||
| 492 | V | 24.5 | Very low | 23.8 | Very low | 132 Ų | 132 | 152.4 Ų | 152.4 | 80% | 0.8 | 82% | 0.824 | S | S | * | * | trans | -132.7 | 108.2 | 171.2 | -175.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 493 | S | 23.2 | Very low | 24.1 | Very low | 110 Ų | 110 | 148.4 Ų | 148.4 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | trans | 11 | 118 | 162.5 | 45.9 | 0 | 0 | 0 | 0 | 121.3 | G495 | S493-G495 PolarHBondContact O-N 2.96Š| ||
| 494 | N | 22.1 | Very low | 24.4 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | trans | -71 | 118 | 162.4 | -91.5 | -71.5 | 0 | 0 | 0 | 112.8 | R496 | N494-R496 PolarHBondContact O-N 3.18Š| ||
| 495 | G | 25.5 | Very low | 24.1 | Very low | 85 Ų | 85 | 146.6 Ų | 146.6 | 88% | 0.876 | 82% | 0.817 | S | S | * | * | trans | -87.2 | 51.9 | 175 | 0 | 0 | 0 | 0 | 0 | 115.6 | S493 | S493-G495 PolarHBondContact O-N 2.96Š| ||
| 496 | R | 20.4 | Very low | 24.3 | Very low | 224 Ų | 224 | 147 Ų | 147 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | -70.5 | 129.5 | -179.6 | -107.5 | -178.1 | 174.7 | -177.8 | -1.8 | 112.5 | N494 | N494-R496 PolarHBondContact O-N 3.18Š| ||
| 497 | R | 24.7 | Very low | 24.4 | Very low | 251 Ų | 251 | 146.1 Ų | 146.1 | 95% | 0.947 | 81% | 0.809 | S | S | * | * | trans | -131.9 | 148.7 | 158.9 | -71.9 | -165.1 | 175.3 | -157.8 | -1.1 | 111.9 | ||||
| 498 | R | 22.4 | Very low | 24.5 | Very low | 230 Ų | 230 | 150.2 Ų | 150.2 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | trans | -99.1 | 162.9 | -172 | -60.3 | 166.4 | 168.8 | 159.7 | -7.1 | 111 | ||||
| 499 | F | 25.2 | Very low | 24.7 | Very low | 214 Ų | 214 | 149.4 Ų | 149.4 | 94% | 0.939 | 81% | 0.808 | S | S | * | * | 174.5 | 147.5 | 125.9 | -86.3 | -60.1 | 0 | 0 | 0 | 109.5 | |||||
| 500 | G | 23.1 | Very low | 25 | Very low | 63 Ų | 63 | 152 Ų | 152 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | cis | 131.2 | 78.7 | -16.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 501 | K | 26.8 | Very low | 25.2 | Very low | 199 Ų | 199 | 152.8 Ų | 152.8 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | trans | -176.4 | 118.4 | 155.8 | -100.9 | 161.7 | -175.2 | -175.4 | 0 | 106.8 | ||||
| 502 | V | 24.4 | Very low | 25.2 | Very low | 124 Ų | 124 | 151.8 Ų | 151.8 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | 71.5 | 107.8 | 61.5 | -179.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 503 | V | 29.6 | Very low | 25.6 | Very low | 135 Ų | 135 | 150 Ų | 150 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -134.2 | 135.1 | 167.9 | 177.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 504 | N | 26 | Very low | 25.9 | Very low | 136 Ų | 136 | 154.6 Ų | 154.6 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -90.4 | 144.6 | -172.3 | -65.4 | -15.5 | 0 | 0 | 0 | 111.9 | ||||
| 505 | Y | 20.1 | Very low | 26.3 | Very low | 234 Ų | 234 | 152 Ų | 152 | 92% | 0.918 | 80% | 0.795 | S | S | * | * | trans | -92.2 | 131.5 | 168.3 | -79.5 | -99.6 | 0 | 0 | 0 | 110.3 | ||||
| 506 | T | 27 | Very low | 26.8 | Very low | 122 Ų | 122 | 151.4 Ų | 151.4 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -146.4 | 118.9 | 170.3 | 49 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 507 | S | 25.4 | Very low | 27.4 | Very low | 104 Ų | 104 | 146.7 Ų | 146.7 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 53.8 | 101.8 | 157 | 55.4 | 0 | 0 | 0 | 0 | 120.2 | S509 | S507-S509 PolarHBondContact O-N 3.49Å; S507-S509 VanDerWaalsContact O-N 3.16Å | ||
| 508 | D | 25.8 | Very low | 27.5 | Very low | 160 Ų | 160 | 140 Ų | 140 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | trans | -67 | 100.8 | 167 | -59.7 | -70.8 | 0 | 0 | 0 | 112.4 | ||||
| 509 | S | 28.4 | Very low | 28 | Very low | 95 Ų | 95 | 133.2 Ų | 133.2 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | trans | -148.9 | -10.4 | 171.4 | 51.1 | 0 | 0 | 0 | 0 | 116.7 | S507 | S507-S509 PolarHBondContact O-N 3.49Å; S507-S509 VanDerWaalsContact O-N 3.16Å | ||
| 510 | E | 28.1 | Very low | 28.3 | Very low | 165 Ų | 165 | 126.5 Ų | 126.5 | 77% | 0.771 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -108.9 | 10.7 | -175.6 | -64.1 | -164.1 | 144.7 | 0 | 0 | 115.6 | A512 | E510-A512 VanDerWaalsContact C-N 3.32Š|
| 511 | I | 27.7 | Very low | 28.7 | Very low | 145 Ų | 145 | 128.3 Ų | 128.3 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -79.6 | -17 | 177.7 | -64.5 | 176 | 0 | 0 | 0 | 112 | S513 | I511-S513 VanDerWaalsContact C-N 3.26Å; I511-S513 PolarHBondContact O-N 3.22Å |
| 512 | A | 29.6 | Very low | 28.7 | Very low | 97 Ų | 97 | 126.2 Ų | 126.2 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -72.6 | -5.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | E510 | E510-A512 VanDerWaalsContact C-N 3.32Š|
| 513 | S | 32.8 | Very low | 29.2 | Very low | 94 Ų | 94 | 131.6 Ų | 131.6 | 66% | 0.657 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -125.1 | 13.4 | -168.9 | 57.7 | 0 | 0 | 0 | 0 | 115.5 | I511 | I511-S513 VanDerWaalsContact C-N 3.26Å; I511-S513 PolarHBondContact O-N 3.22Å |
| 514 | R | 27.9 | Very low | 29 | Very low | 207 Ų | 207 | 136.4 Ų | 136.4 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | trans | -123.7 | 18.7 | -178.7 | -74.4 | -171.4 | 168.4 | 178.2 | -0.8 | 115.9 | A516 | R514-A516 VanDerWaalsContact C-N 3.28Å; R514-A516 PolarHBondContact O-N 3Å | ||
| 515 | S | 31.7 | Very low | 29 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -73.8 | -13.1 | 172.3 | 48.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 516 | A | 34.9 | Very low | 29.2 | Very low | 73 Ų | 73 | 133 Ų | 133 | 60% | 0.603 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -74.7 | -46.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R514 C518 | R514-A516 VanDerWaalsContact C-N 3.28Å; R514-A516 PolarHBondContact O-N 3Å; A516-C518 PolarHBondContact O-N 3.23Å |
| 517 | D | 34.2 | Very low | 29.2 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 67% | 0.674 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -79.7 | -16.3 | -163.8 | -66.8 | -38.1 | 0 | 0 | 0 | 114.8 | A519 A520 | D517-A519 PolarHBondContact O-N 3.01Å; D517-A520 PolarHBondContact O-N 3.32Å |
| 518 | C | 27.2 | Very low | 29.1 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 75% | 0.75 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -68.5 | -19.9 | -178.4 | -141.6 | 0 | 0 | 0 | 0 | 112.8 | A516 A520 | A516-C518 PolarHBondContact O-N 3.23Å; C518-A520 VanDerWaalsContact C-N 3.31Å; C518-A520 PolarHBondContact O-N 2.88Å |
| 519 | A | 31.7 | Very low | 29.2 | Very low | 87 Ų | 87 | 138.5 Ų | 138.5 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -72.2 | -17 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | D517 | D517-A519 PolarHBondContact O-N 3.01Š|
| 520 | A | 32.7 | Very low | 29 | Very low | 72 Ų | 72 | 145 Ų | 145 | 60% | 0.595 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -32.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D517 C518 | D517-A520 PolarHBondContact O-N 3.32Å; C518-A520 VanDerWaalsContact C-N 3.31Å; C518-A520 PolarHBondContact O-N 2.88Å |
| 521 | S | 30.3 | Very low | 28.8 | Very low | 101 Ų | 101 | 148.2 Ų | 148.2 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -84.9 | -15.8 | -162.7 | -64.8 | 0 | 0 | 0 | 0 | 115.7 | ||
| 522 | L | 28.4 | Very low | 28.8 | Very low | 156 Ų | 156 | 145.9 Ų | 145.9 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -89.4 | 7.6 | -178 | -91 | 164 | 0 | 0 | 0 | 115.1 | ||
| 523 | R | 33.3 | Very low | 28.6 | Very low | 236 Ų | 236 | 149 Ų | 149 | 89% | 0.891 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -99.2 | 10.7 | 175.6 | -84.5 | -176.5 | 171.8 | 167.2 | -1.7 | 115.3 | ||
| 524 | R | 26.4 | Very low | 28.4 | Very low | 236 Ų | 236 | 152.3 Ų | 152.3 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | trans | -135.9 | 67.1 | -179.4 | -59.6 | -167.6 | -161.6 | -152.4 | 6.4 | 114.8 | ||||
| 525 | S | 25.6 | Very low | 28.3 | Very low | 104 Ų | 104 | 149.2 Ų | 149.2 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -145.3 | 38.6 | 168.5 | 52.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 526 | K | 24.8 | Very low | 28 | Very low | 194 Ų | 194 | 152.7 Ų | 152.7 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -76.8 | 151.6 | 156.2 | -86.5 | -171.4 | 174.2 | -177.8 | 0 | 109.7 | ||||
| 527 | H | 25.7 | Very low | 27.5 | Very low | 182 Ų | 182 | 152.2 Ų | 152.2 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | 72.5 | 101.8 | -172.2 | -59.6 | -89.1 | 0 | 0 | 0 | 115.9 | ||||
| 528 | L | 25 | Very low | 27 | Very low | 158 Ų | 158 | 153.7 Ų | 153.7 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | S | Bend | -156.5 | 153.6 | 108.2 | -106 | 168.8 | 0 | 0 | 0 | 111.2 | |||
| 529 | L | 26.8 | Very low | 26.8 | Very low | 163 Ų | 163 | 158.8 Ų | 158.8 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | 61.5 | 64 | 166.9 | -54.1 | -176.6 | 0 | 0 | 0 | 119.2 | ||||
| 530 | R | 23.8 | Very low | 26.3 | Very low | 232 Ų | 232 | 159.1 Ų | 159.1 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | trans | -53 | 131.6 | 149.5 | 168.1 | -159.6 | -164.1 | 177.3 | 6.1 | 112.8 | ||||
| 531 | Y | 24.3 | Very low | 25.8 | Very low | 231 Ų | 231 | 163.5 Ų | 163.5 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | trans | -141.2 | 152.4 | 141.9 | -102.9 | -88.1 | 0 | 0 | 0 | 109.2 | ||||
| 532 | P | 29.1 | Very low | 25.4 | Very low | 96 Ų | 96 | 164 Ų | 164 | 62% | 0.623 | 82% | 0.818 | S | S | * | * | trans | -110 | 174.5 | -154.4 | 41.1 | -33.8 | 0 | 0 | 0 | 115.7 | ||||
| 533 | H | 24.5 | Very low | 25.2 | Very low | 163 Ų | 163 | 163 Ų | 163 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | trans | -51.8 | 154.6 | 160 | -75.7 | -121.4 | 0 | 0 | 0 | 112.6 | ||||
| 534 | N | 27.4 | Very low | 24.7 | Very low | 163 Ų | 163 | 158 Ų | 158 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | trans | -153.3 | 134.4 | 147.7 | -96.4 | -26.8 | 0 | 0 | 0 | 108.7 | ||||
| 535 | D | 26 | Very low | 24.6 | Very low | 142 Ų | 142 | 152 Ų | 152 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | trans | -93.4 | 122.1 | -169.5 | -52 | -82.4 | 0 | 0 | 0 | 113.1 | ||||
| 536 | L | 26.5 | Very low | 24.5 | Very low | 181 Ų | 181 | 155.6 Ų | 155.6 | 95% | 0.948 | 81% | 0.811 | S | S | * | * | trans | -150.4 | 135.6 | 160.2 | -67.7 | 176.9 | 0 | 0 | 0 | 106.4 | ||||
| 537 | G | 24.3 | Very low | 24.4 | Very low | 63 Ų | 63 | 152 Ų | 152 | 65% | 0.649 | 81% | 0.81 | S | S | * | * | cis | 167.7 | 136.7 | -1.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | F539 | G537-F539 PolarHBondContact O-N 3.26Š| ||
| 538 | N | 23.5 | Very low | 24.4 | Very low | 157 Ų | 157 | 150.9 Ų | 150.9 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | trans | -52.4 | 128.4 | -166.1 | -73 | -14.5 | 0 | 0 | 0 | 114.8 | ||||
| 539 | F | 22.8 | Very low | 24.3 | Very low | 217 Ų | 217 | 152 Ų | 152 | 95% | 0.952 | 81% | 0.811 | S | S | * | * | trans | -131.7 | 92.3 | 152.4 | -91.1 | -78.4 | 0 | 0 | 0 | 110.4 | G537 | G537-F539 PolarHBondContact O-N 3.26Š| ||
| 540 | S | 20.8 | Very low | 24.2 | Very low | 95 Ų | 95 | 151.6 Ų | 151.6 | 66% | 0.664 | 81% | 0.809 | S | S | * | * | trans | -101.3 | 129.5 | 170.7 | 55.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 541 | N | 22.8 | Very low | 24.3 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | 54.8 | 105.2 | 160.1 | -58.8 | -8.6 | 0 | 0 | 0 | 118.8 | ||||
| 542 | S | 22.6 | Very low | 24.5 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -156 | 107.8 | 137.4 | 63.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 543 | T | 23.8 | Very low | 24.3 | Very low | 136 Ų | 136 | 146.3 Ų | 146.3 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | 49.6 | 119.8 | 138.9 | -40.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 544 | V | 22.1 | Very low | 24.3 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 132.9 | 167.6 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | ||
| 545 | P | 24.3 | Very low | 24.1 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 71% | 0.708 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -77 | 146.8 | 175.9 | 31.7 | -34.8 | 0 | 0 | 0 | 112.3 | ||
| 546 | Q | 23.3 | Very low | 24 | Very low | 180 Ų | 180 | 145.1 Ų | 145.1 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 153.7 | 171.6 | -66.7 | 162.3 | -99.4 | 0 | 0 | 111.4 | ||
| 547 | C | 23.5 | Very low | 24 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -126.6 | 128.9 | 160.3 | -67.2 | 0 | 0 | 0 | 0 | 107.8 | E549 | C547-E549 PolarHBondContact O-N 3.46Š| ||
| 548 | D | 24.3 | Very low | 23.9 | Very low | 158 Ų | 158 | 145.6 Ų | 145.6 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | -71.7 | 125 | -177.4 | -68.9 | -63.5 | 0 | 0 | 0 | 111.8 | ||||
| 549 | E | 23.6 | Very low | 24.1 | Very low | 181 Ų | 181 | 146 Ų | 146 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -82 | 133.5 | 166.6 | -60 | -176.3 | 135 | 0 | 0 | 109.6 | C547 | C547-E549 PolarHBondContact O-N 3.46Š| ||
| 550 | N | 25.7 | Very low | 24.2 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -163.4 | 155.7 | 161.8 | -112 | -65.8 | 0 | 0 | 0 | 113 | ||||
| 551 | I | 25.8 | Very low | 24.2 | Very low | 162 Ų | 162 | 150.5 Ų | 150.5 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | S | Bend | trans | 83.3 | 128.8 | -178.4 | -55.8 | 173.3 | 0 | 0 | 0 | 113.6 | ||
| 552 | P | 28.6 | Very low | 24.4 | Very low | 123 Ų | 123 | 149.7 Ų | 149.7 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | trans | -109.1 | 160.3 | -135.7 | 39.7 | -34.6 | 0 | 0 | 0 | 116.3 | ||||
| 553 | I | 23.9 | Very low | 24.4 | Very low | 164 Ų | 164 | 148.3 Ų | 148.3 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 117.8 | 174.4 | -62.4 | 164 | 0 | 0 | 0 | 109.6 | ||
| 554 | A | 24.7 | Very low | 24.5 | Very low | 102 Ų | 102 | 146.5 Ų | 146.5 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 116.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 555 | K | 24.3 | Very low | 24.6 | Very low | 171 Ų | 171 | 149.5 Ų | 149.5 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 149.3 | 170 | -77.4 | -173.1 | 172.1 | -169.4 | 0 | 111.1 | ||
| 556 | L | 24 | Very low | 24.5 | Very low | 170 Ų | 170 | 152.4 Ų | 152.4 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | trans | -148 | 124.1 | 152.5 | -116.8 | 157.8 | 0 | 0 | 0 | 107.8 | ||||
| 557 | D | 26.3 | Very low | 24.5 | Very low | 117 Ų | 117 | 152.4 Ų | 152.4 | 63% | 0.626 | 83% | 0.826 | S | S | * | * | trans | -82.8 | 140.7 | -161.3 | -56.1 | -72.3 | 0 | 0 | 0 | 113.3 | Q559 | D557-Q559 VanDerWaalsContact C-N 3.33Å; D557-Q559 PolarHBondContact O-N 2.93Å | ||
| 558 | C | 21.7 | Very low | 24.6 | Very low | 136 Ų | 136 | 152.8 Ų | 152.8 | 92% | 0.919 | 83% | 0.825 | S | S | * | * | trans | -76.6 | 80.6 | 173.7 | -64.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 559 | Q | 27 | Very low | 24.6 | Very low | 167 Ų | 167 | 151.4 Ų | 151.4 | 78% | 0.78 | 83% | 0.825 | S | S | * | * | trans | -72.1 | 130.5 | 172.2 | -73.6 | -169.1 | -14.3 | 0 | 0 | 112 | D557 W561 | D557-Q559 VanDerWaalsContact C-N 3.33Å; D557-Q559 PolarHBondContact O-N 2.93Å; Q559-W561 PolarHBondContact O-N 3.28Å | ||
| 560 | I | 24.5 | Very low | 24.5 | Very low | 149 Ų | 149 | 147.9 Ų | 147.9 | 76% | 0.764 | 82% | 0.82 | S | S | * | * | trans | -39.1 | 124.6 | 179.8 | -62.3 | 159.2 | 0 | 0 | 0 | 112.8 | N562 | I560-N562 PolarHBondContact O-N 2.96Š| ||
| 561 | W | 21.7 | Very low | 24.4 | Very low | 257 Ų | 257 | 148.3 Ų | 148.3 | 97% | 0.973 | 82% | 0.822 | S | S | * | * | trans | -77.1 | 85.1 | 171.4 | -84.6 | 20.5 | 0 | 0 | 0 | 111.5 | Q559 | Q559-W561 PolarHBondContact O-N 3.28Š| ||
| 562 | N | 26 | Very low | 24.5 | Very low | 145 Ų | 145 | 147.3 Ų | 147.3 | 78% | 0.775 | 82% | 0.823 | S | S | * | * | trans | -72.2 | 142.7 | 155.9 | -85.6 | -40.7 | 0 | 0 | 0 | 110 | I560 A564 | I560-N562 PolarHBondContact O-N 2.96Å; N562-A564 PolarHBondContact O-N 3.31Å | ||
| 563 | G | 24.4 | Very low | 24.3 | Very low | 82 Ų | 82 | 146.7 Ų | 146.7 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | -63.3 | 115.4 | -166.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 564 | A | 24.3 | Very low | 24.2 | Very low | 99 Ų | 99 | 146.6 Ų | 146.6 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -83.3 | 130.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | N562 | N562-A564 PolarHBondContact O-N 3.31Š| ||
| 565 | K | 25.3 | Very low | 24.2 | Very low | 193 Ų | 193 | 153.9 Ų | 153.9 | 84% | 0.839 | 83% | 0.826 | S | S | * | * | trans | -57.1 | 142.7 | 174.2 | -70 | 168 | 176.2 | 170.6 | 0 | 110.5 | E567 | K565-E567 PolarHBondContact O-N 3.12Å; K565-E567 VanDerWaalsContact O-N 3.07Å | ||
| 566 | L | 22.7 | Very low | 24.1 | Very low | 171 Ų | 171 | 156 Ų | 156 | 90% | 0.895 | 83% | 0.829 | S | S | * | * | trans | -71.7 | 101.7 | 166.2 | -141.7 | 87.8 | 0 | 0 | 0 | 108.7 | T568 | L566-T568 PolarHBondContact O-N 3.47Å; L566-T568 VanDerWaalsContact O-N 3.15Å | ||
| 567 | E | 23.2 | Very low | 24 | Very low | 180 Ų | 180 | 155.6 Ų | 155.6 | 84% | 0.841 | 82% | 0.823 | S | S | * | * | trans | -68.7 | 110 | 177 | -65.4 | -167.7 | 144.4 | 0 | 0 | 110.4 | K565 | K565-E567 PolarHBondContact O-N 3.12Å; K565-E567 VanDerWaalsContact O-N 3.07Å | ||
| 568 | T | 24.8 | Very low | 23.9 | Very low | 127 Ų | 127 | 156.2 Ų | 156.2 | 78% | 0.779 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 128 | 170.9 | 50.6 | 0 | 0 | 0 | 0 | 109.7 | L566 S570 | L566-T568 PolarHBondContact O-N 3.47Å; L566-T568 VanDerWaalsContact O-N 3.15Å; T568-S570 PolarHBondContact O-N 3.38Å |
| 569 | P | 24.5 | Very low | 24.1 | Very low | 130 Ų | 130 | 153.6 Ų | 153.6 | 84% | 0.844 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 123.3 | -167.2 | 25.7 | -34.8 | 0 | 0 | 0 | 112.7 | N571 | P569-N571 PolarHBondContact O-N 3.05Š|
| 570 | S | 22 | Very low | 24 | Very low | 106 Ų | 106 | 154.1 Ų | 154.1 | 74% | 0.741 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 122.9 | 172.2 | 55.6 | 0 | 0 | 0 | 0 | 111.8 | T568 | T568-S570 PolarHBondContact O-N 3.38Š|
| 571 | N | 23.7 | Very low | 23.9 | Very low | 163 Ų | 163 | 154.3 Ų | 154.3 | 87% | 0.872 | 83% | 0.833 | S | S | * | * | trans | -173.6 | 76.1 | 151 | -102.2 | -39.5 | 0 | 0 | 0 | 113.7 | P569 | P569-N571 PolarHBondContact O-N 3.05Š| ||
| 572 | V | 26.4 | Very low | 23.9 | Very low | 142 Ų | 142 | 151 Ų | 151 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | trans | -141 | 122.4 | 152.7 | -174.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 573 | P | 24.5 | Very low | 23.8 | Very low | 110 Ų | 110 | 152.5 Ų | 152.5 | 71% | 0.714 | 83% | 0.828 | S | S | * | * | trans | -91 | 146.6 | -175.1 | 34.2 | -34.7 | 0 | 0 | 0 | 114.2 | ||||
| 574 | N | 22.5 | Very low | 23.9 | Very low | 161 Ų | 161 | 157.1 Ų | 157.1 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | trans | 41.8 | 106.4 | 150.7 | -65.9 | -16.8 | 0 | 0 | 0 | 119.9 | ||||
| 575 | R | 23.5 | Very low | 23.9 | Very low | 256 Ų | 256 | 158.4 Ų | 158.4 | 97% | 0.966 | 82% | 0.822 | S | S | * | * | -147.9 | 151.1 | 124.8 | -135.9 | 173.3 | -177.7 | -178.6 | -1 | 112.8 | |||||
| 576 | R | 22.5 | Very low | 23.9 | Very low | 215 Ų | 215 | 157.2 Ų | 157.2 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | trans | -79.7 | 141.4 | -166 | -70.7 | -179 | 176.3 | 146.4 | -3.6 | 114.7 | ||||
| 577 | E | 22.8 | Very low | 24 | Very low | 161 Ų | 161 | 153.5 Ų | 153.5 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | 26.1 | 124.1 | 122.2 | -48.6 | 154.2 | 128.7 | 0 | 0 | 118.8 | |||||
| 578 | S | 24.3 | Very low | 24 | Very low | 130 Ų | 130 | 155.8 Ų | 155.8 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | 177.6 | 156.5 | 126.1 | 34.7 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 579 | G | 25.9 | Very low | 24.1 | Very low | 82 Ų | 82 | 156.5 Ų | 156.5 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | 99.7 | 67.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 580 | Q | 24 | Very low | 24.1 | Very low | 177 Ų | 177 | 158 Ų | 158 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | trans | -81.6 | 163.1 | 162.8 | -96.5 | -178.1 | -37.2 | 0 | 0 | 111.6 | ||||
| 581 | Q | 23.2 | Very low | 24.3 | Very low | 153 Ų | 153 | 158.7 Ų | 158.7 | 72% | 0.715 | 82% | 0.82 | S | S | * | * | trans | 60.3 | 112.6 | 156.3 | -73 | 170.7 | -30.9 | 0 | 0 | 118.7 | ||||
| 582 | F | 22.3 | Very low | 24.5 | Very low | 189 Ų | 189 | 156.2 Ų | 156.2 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | -141.4 | 69.1 | 129.9 | -114.2 | -76.9 | 0 | 0 | 0 | 109.7 | K584 | F582-K584 HydrophobicContact CD1-CG 4.4Å; F582-K584 HydrophobicContact CE1-CD 4.3Å; F582-K584 HydrophobicContact CE1-CG 4.43Å | |||
| 583 | E | 22.1 | Very low | 25.2 | Very low | 175 Ų | 175 | 155.2 Ų | 155.2 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -78 | 130 | 152.4 | -73.7 | 179.3 | 127.8 | 0 | 0 | 107.5 | ||||
| 584 | K | 26.7 | Very low | 25.4 | Very low | 179 Ų | 179 | 155.5 Ų | 155.5 | 78% | 0.778 | 81% | 0.813 | S | S | * | * | trans | -127.3 | 97.3 | 161.1 | -95.2 | -169 | 168 | -172.6 | 0 | 108.5 | F582 | F582-K584 HydrophobicContact CD1-CG 4.4Å; F582-K584 HydrophobicContact CE1-CD 4.3Å; F582-K584 HydrophobicContact CE1-CG 4.43Å | ||
| 585 | T | 25.1 | Very low | 25.5 | Very low | 126 Ų | 126 | 156.8 Ų | 156.8 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | -54.3 | 138.8 | 158.9 | 36.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 586 | L | 24.6 | Very low | 25.6 | Very low | 168 Ų | 168 | 152.9 Ų | 152.9 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | trans | -126.6 | 98.3 | 151.9 | -147 | 82.5 | 0 | 0 | 0 | 107.1 | ||||
| 587 | A | 25.2 | Very low | 25.9 | Very low | 93 Ų | 93 | 147.3 Ų | 147.3 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -126.4 | 145.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 588 | R | 23.9 | Very low | 26.8 | Very low | 229 Ų | 229 | 145.1 Ų | 145.1 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -59.7 | 149.5 | -165.4 | -79.6 | 176.9 | 176.8 | 130.8 | -2 | 116 | ||||
| 589 | D | 27.1 | Very low | 26.8 | Very low | 141 Ų | 141 | 147 Ų | 147 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | 63 | 129.5 | 143.8 | -52.4 | -27.1 | 0 | 0 | 0 | 121.2 | ||||
| 590 | I | 23.4 | Very low | 27 | Very low | 163 Ų | 163 | 148.9 Ų | 148.9 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | -116.8 | 106.9 | -178.8 | -58.5 | 168.4 | 0 | 0 | 0 | 110.1 | ||||
| 591 | P | 27.7 | Very low | 27.1 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -91 | 137.6 | 156.5 | 29.6 | -22.3 | 0 | 0 | 0 | 110.5 | ||
| 592 | S | 26.4 | Very low | 27.2 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 154.1 | -169.1 | -63.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 593 | P | 40.9 | Very low | 27.4 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 153.6 | -161.5 | 37.7 | -36.4 | 0 | 0 | 0 | 116 | ||
| 594 | P | 29.9 | Very low | 27.8 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 123.2 | 164.4 | 34.7 | -28.4 | 0 | 0 | 0 | 113.8 | ||
| 595 | F | 24.6 | Very low | 27.8 | Very low | 187 Ų | 187 | 137.9 Ų | 137.9 | 82% | 0.82 | 80% | 0.8 | S | S | * | * | trans | 42.1 | 100.5 | 149.2 | -72.2 | -87 | 0 | 0 | 0 | 122.5 | ||||
| 596 | Q | 24.8 | Very low | 27.9 | Very low | 175 Ų | 175 | 137.9 Ų | 137.9 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | 45.3 | 120.4 | 117.5 | -73.2 | -172.6 | -22.7 | 0 | 0 | 122.3 | |||||
| 597 | A | 29.8 | Very low | 28 | Very low | 97 Ų | 97 | 136.5 Ų | 136.5 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | 112.3 | 137.1 | 124.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 598 | P | 41.3 | Very low | 28.2 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | trans | -107.9 | 171.4 | -175.5 | 41.2 | -34.2 | 0 | 0 | 0 | 113.9 | ||||
| 599 | I | 23.6 | Very low | 28.4 | Very low | 170 Ų | 170 | 130.8 Ų | 130.8 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | 155.2 | 114.4 | 136.3 | -80 | 153.8 | 0 | 0 | 0 | 108.9 | ||||
| 600 | S | 30.2 | Very low | 28.5 | Very low | 121 Ų | 121 | 129 Ų | 129 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -166.8 | 143.4 | 136.3 | -168.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 601 | A | 26.1 | Very low | 28.9 | Very low | 83 Ų | 83 | 128.1 Ų | 128.1 | 69% | 0.686 | 77% | 0.766 | S | S | * | * | trans | -156.1 | 167.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 602 | T | 26.4 | Very low | 29 | Very low | 137 Ų | 137 | 126 Ų | 126 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | trans | 88.2 | 162.1 | 163.2 | -30 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 603 | V | 26.3 | Very low | 29.2 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | trans | 96.7 | 74.7 | 162.7 | -164.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 604 | S | 29 | Very low | 28.6 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | 114 | 151.8 | 112.5 | -71.5 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 605 | Q | 26.8 | Very low | 28.8 | Very low | 185 Ų | 185 | 132.2 Ų | 132.2 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | -116.8 | 162.1 | -178.6 | -54.9 | 161.2 | -19.1 | 0 | 0 | 109.7 | ||||
| 606 | S | 27.7 | Very low | 28.9 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 88% | 0.881 | 76% | 0.764 | S | S | * | * | trans | -169.6 | 160.9 | 143.6 | 26.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 607 | I | 27.5 | Very low | 29.1 | Very low | 139 Ų | 139 | 129.1 Ų | 129.1 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | -147.1 | 133 | -170.2 | -57.2 | 170.8 | 0 | 0 | 0 | 109.5 | ||||
| 608 | T | 28 | Very low | 28.8 | Very low | 139 Ų | 139 | 133.8 Ų | 133.8 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | 178 | 164.9 | 151.5 | 20.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 609 | G | 28.6 | Very low | 28.1 | Very low | 63 Ų | 63 | 136.9 Ų | 136.9 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | trans | 179.9 | -106.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 610 | R | 29.2 | Very low | 28.2 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 40% | 0.396 | 77% | 0.771 | S | S | . | * | trans | 31.7 | 114.1 | 166.8 | -175.5 | -138.7 | -175.6 | 165.3 | 0.4 | 118.8 | V417 R418 I419 | V417-R610 PolarHBondContact O-NE 2.85Å; V417-R610 PolarHBondContact O-NH1 2.76Å; V417-R610 VanDerWaalsContact O-NH1 3.1Å; V417-R610 PolarHBondContact O-NH2 3.47Å; V417-R610 VanDerWaalsContact O-NH2 3.07Å; R418-R610 HydrophobicContact CB-CG 4.38Å; R418-R610 HydrophobicContact CG-CG 4.41Å; I419-R610 HydrophobicContact CB-CG 4.43Å | ||
| 611 | H | 31.6 | Very low | 28.2 | Very low | 144 Ų | 144 | 137 Ų | 137 | 67% | 0.667 | 77% | 0.772 | S | S | * | * | trans | -145.2 | -150.9 | 142.6 | -118.6 | -75.7 | 0 | 0 | 0 | 115.2 | I419 | I419-H611 WeakPolarHBondContact CB-O 3.36Å; I419-H611 WeakPolarHBondContact CG2-O 3.46Å | ||
| 612 | T | 31 | Very low | 28.1 | Very low | 75 Ų | 75 | 143.8 Ų | 143.8 | 46% | 0.46 | 78% | 0.78 | S | S | . | * | trans | -140.9 | 160.8 | -140.4 | 46.2 | 0 | 0 | 0 | 0 | 118.9 | I419 | I419-T612 HydrophobicContact CD1-CG2 3.61Š| ||
| 613 | T | 30 | Very low | 28.5 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | 90.9 | 132 | 141.6 | 29.1 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 614 | N | 28.7 | Very low | 28.5 | Very low | 153 Ų | 153 | 146.4 Ų | 146.4 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -30 | 152.9 | 166.7 | -56.4 | -8.7 | 0 | 0 | 0 | 119.3 | ||||
| 615 | E | 34.5 | Very low | 28.2 | Very low | 198 Ų | 198 | 145.9 Ų | 145.9 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | -153.8 | 169.4 | 116.2 | -127.4 | 171.9 | -160.4 | 0 | 0 | 112.9 | |||||
| 616 | Q | 26.4 | Very low | 28.2 | Very low | 190 Ų | 190 | 142.9 Ų | 142.9 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | trans | -119.5 | 127.4 | -179.6 | -63.5 | 176.7 | -53.8 | 0 | 0 | 111.2 | ||||
| 617 | A | 28.4 | Very low | 27.9 | Very low | 106 Ų | 106 | 145.8 Ų | 145.8 | 88% | 0.876 | 78% | 0.778 | S | S | * | * | trans | -161.2 | 153.9 | 157 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 618 | K | 24 | Very low | 27.7 | Very low | 195 Ų | 195 | 150 Ų | 150 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -74.9 | 153.9 | 165.8 | -50.7 | 160.3 | -179.1 | 173.3 | 0 | 109.2 | ||||
| 619 | Q | 25.8 | Very low | 27.7 | Very low | 180 Ų | 180 | 150 Ų | 150 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | -176.3 | 163.1 | 96.6 | -124.7 | 167.7 | -63.1 | 0 | 0 | 113.6 | |||||
| 620 | D | 25.1 | Very low | 27.5 | Very low | 150 Ų | 150 | 149.1 Ų | 149.1 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | trans | -72.3 | 136.5 | -178.3 | -40.4 | -108 | 0 | 0 | 0 | 113.2 | ||||
| 621 | V | 30.8 | Very low | 27.4 | Very low | 145 Ų | 145 | 152.4 Ų | 152.4 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | trans | -134.8 | 137.1 | 156.5 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 622 | R | 23.7 | Very low | 27.3 | Very low | 225 Ų | 225 | 153.5 Ų | 153.5 | 85% | 0.849 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 155.8 | -175.7 | -81.9 | -177.4 | 172.1 | -167.5 | -3.7 | 112.9 | ||
| 623 | P | 36.1 | Very low | 27.1 | Very low | 126 Ų | 126 | 156.8 Ų | 156.8 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 146.3 | -179 | 29.5 | -36.4 | 0 | 0 | 0 | 112.5 | ||
| 624 | H | 25.6 | Very low | 27 | Very low | 188 Ų | 188 | 158.9 Ų | 158.9 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 124 | 161.2 | -94.8 | -86.5 | 0 | 0 | 0 | 109.2 | ||
| 625 | A | 22.8 | Very low | 26.9 | Very low | 103 Ų | 103 | 157.1 Ų | 157.1 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 138.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 626 | V | 26.5 | Very low | 26.7 | Very low | 122 Ų | 122 | 152.9 Ų | 152.9 | 74% | 0.739 | 78% | 0.783 | S | S | * | * | trans | -121.8 | 130.3 | 159.8 | 178.6 | 0 | 0 | 0 | 0 | 106 | ||||
| 627 | K | 21.8 | Very low | 26.7 | Very low | 187 Ų | 187 | 149.9 Ų | 149.9 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | -67.8 | 144.1 | 177.3 | -78.3 | -171.8 | 163.1 | -154.5 | 0 | 110.7 | ||||
| 628 | W | 23.8 | Very low | 26.6 | Very low | 227 Ų | 227 | 153.3 Ų | 153.3 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | -121.8 | 132.4 | 162.4 | -74.4 | 57.6 | 0 | 0 | 0 | 106.7 | ||||
| 629 | D | 26.6 | Very low | 26.7 | Very low | 140 Ų | 140 | 152.6 Ų | 152.6 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | -90 | 141.7 | 166.3 | -61.2 | -60.7 | 0 | 0 | 0 | 107.5 | M1117 | D629-M1117 HydrophobicContact CB-CE 4.16Š| ||
| 630 | E | 25.2 | Very low | 26.7 | Very low | 45 Ų | 45 | 150.4 Ų | 150.4 | 21% | 0.21 | 77% | 0.774 | C | S | . | * | trans | -114.7 | 120.4 | -151.7 | -31.5 | 159.5 | 91 | 0 | 0 | 110.3 | P1116 M1117 E1118 | E630-P1116 WeakPolarHBondContact OE1-CA 3.46Å; E630-P1116 VanDerWaalsContact OE1-CD 3.28Å; E630-P1116 WeakPolarHBondContact OE1-CD 3.48Å; E630-M1117 HydrophobicContact CB-CB 3.81Å; E630-M1117 HydrophobicContact CB-CG 3.72Å; E630-M1117 HydrophobicContact CG-CB 4.48Å; E630-M1117 HydrophobicContact CG-CG 4.02Å; E630-M1117 WeakPolarHBondContact O-CB 3.14Å; E630-M1117 WeakPolarHBondContact O-CE 3.11Å; E630-M1117 WeakPolarHBondContact O-CG 3.4Å; E630-M1117 PolarHBondContact OE1-N 3.16Å; E630-M1117 VanDerWaalsContact OE1-N 3.09Å; E630-M1117 WeakPolarHBondContact OE2-CA 3.48Å; E630-M1117 WeakPolarHBondContact OE2-CG 3.14Å; E630-M1117 PolarHBondContact OE2-N 3.21Å; E630-E1118 PolarHBondContact OE2-N 3.19Å | ||
| 631 | E | 27.5 | Very low | 26.7 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | -112.9 | 121.1 | -175.7 | -167.9 | 167.5 | -140.5 | 0 | 0 | 111.7 | ||||
| 632 | K | 28 | Very low | 26.4 | Very low | 167 Ų | 167 | 148.4 Ų | 148.4 | 73% | 0.726 | 77% | 0.77 | S | S | * | * | trans | -75.8 | 125.2 | -176.3 | -70.7 | 179.4 | 178 | 175.9 | 0 | 111.5 | ||||
| 633 | L | 28.9 | Very low | 26.5 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | -97.3 | 112.3 | 176.2 | -97.5 | 142.9 | 0 | 0 | 0 | 112 | L1114 | L633-L1114 HydrophobicContact CB-CD1 4.26Å; L633-L1114 HydrophobicContact CD1-CD1 4.09Å | ||
| 634 | E | 27 | Very low | 25.9 | Very low | 172 Ų | 172 | 146 Ų | 146 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 160.9 | 164.5 | -81.7 | -169.8 | 159.4 | 0 | 0 | 111.8 | ||
| 635 | P | 26.5 | Very low | 25.8 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -73 | 149.1 | -164.9 | 27.2 | -35.2 | 0 | 0 | 0 | 114.7 | ||
| 636 | P | 29.5 | Very low | 25.7 | Very low | 109 Ų | 109 | 150.4 Ų | 150.4 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 124 | -162.7 | 31.1 | -36.3 | 0 | 0 | 0 | 114.8 | ||
| 637 | T | 26.3 | Very low | 25.6 | Very low | 127 Ų | 127 | 153.1 Ų | 153.1 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -82.7 | 112.2 | 167.1 | 46.5 | 0 | 0 | 0 | 0 | 111 | Q639 | T637-Q639 PolarHBondContact O-N 3.38Š| ||
| 638 | H | 28 | Very low | 25.7 | Very low | 179 Ų | 179 | 150.4 Ų | 150.4 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | -76.7 | 87.9 | 174.7 | -92 | -84.8 | 0 | 0 | 0 | 111.6 | ||||
| 639 | Q | 25.8 | Very low | 25.7 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -87 | 122.5 | 161.5 | -70.7 | -171 | -7.2 | 0 | 0 | 110.2 | T637 | T637-Q639 PolarHBondContact O-N 3.38Š|
| 640 | V | 25.9 | Very low | 25.7 | Very low | 134 Ų | 134 | 146.9 Ų | 146.9 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -85 | 131.6 | 173.5 | 177.3 | 0 | 0 | 0 | 0 | 108.9 | I642 | V640-I642 PolarHBondContact O-N 2.94Š|
| 641 | A | 24.4 | Very low | 25.6 | Very low | 93 Ų | 93 | 152 Ų | 152 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 129 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 642 | I | 24.6 | Very low | 25.7 | Very low | 160 Ų | 160 | 149.8 Ų | 149.8 | 82% | 0.821 | 80% | 0.8 | S | S | * | * | trans | -111.7 | 125.5 | 160.5 | -61.6 | 179.6 | 0 | 0 | 0 | 107.2 | V640 S644 | V640-I642 PolarHBondContact O-N 2.94Å; I642-S644 PolarHBondContact O-N 3.39Å | ||
| 643 | H | 26.4 | Very low | 25.5 | Very low | 185 Ų | 185 | 151.2 Ų | 151.2 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | -66.9 | 115 | -175 | -107.6 | -94.5 | 0 | 0 | 0 | 111.4 | ||||
| 644 | S | 23.8 | Very low | 25.4 | Very low | 116 Ų | 116 | 148.7 Ų | 148.7 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 122.2 | 172.4 | -63.6 | 0 | 0 | 0 | 0 | 110.6 | I642 | I642-S644 PolarHBondContact O-N 3.39Š|
| 645 | L | 23.6 | Very low | 25.4 | Very low | 174 Ų | 174 | 150.1 Ų | 150.1 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 128 | 165.1 | -81.5 | 167.7 | 0 | 0 | 0 | 109.4 | ||
| 646 | R | 20.6 | Very low | 25.3 | Very low | 208 Ų | 208 | 151.5 Ų | 151.5 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 140.7 | 170.8 | -81.9 | -175.7 | 168.3 | 126.5 | -4.6 | 110.9 | D648 | R646-D648 IonicContact NE-OD1 3.12Š|
| 647 | L | 23.8 | Very low | 25.1 | Very low | 179 Ų | 179 | 152.3 Ų | 152.3 | 94% | 0.937 | 82% | 0.821 | S | S | * | * | trans | -129.2 | 133.6 | 138.1 | -84.3 | 168.2 | 0 | 0 | 0 | 106.9 | ||||
| 648 | D | 24 | Very low | 24.8 | Very low | 130 Ų | 130 | 157.1 Ų | 157.1 | 70% | 0.695 | 83% | 0.825 | S | S | * | * | trans | -91.1 | 165.5 | -167 | -69.7 | -69.8 | 0 | 0 | 0 | 113.5 | R646 | R646-D648 IonicContact NE-OD1 3.12Š| ||
| 649 | S | 24.1 | Very low | 24.9 | Very low | 111 Ų | 111 | 154.2 Ų | 154.2 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | trans | -43.1 | 147.5 | 179.8 | -40.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 650 | E | 26.2 | Very low | 24.8 | Very low | 182 Ų | 182 | 155 Ų | 155 | 85% | 0.85 | 83% | 0.828 | S | S | * | * | -165.4 | 137.3 | 112.7 | -110.3 | 174.8 | -155.7 | 0 | 0 | 114.9 | |||||
| 651 | L | 23.5 | Very low | 24.8 | Very low | 152 Ų | 152 | 152.2 Ų | 152.2 | 80% | 0.796 | 83% | 0.827 | S | S | * | * | trans | 49.8 | 120.6 | 142.2 | -142.4 | 71.5 | 0 | 0 | 0 | 121.8 | ||||
| 652 | V | 29 | Very low | 24.7 | Very low | 129 Ų | 129 | 156.7 Ų | 156.7 | 78% | 0.782 | 83% | 0.832 | S | S | * | * | -174.4 | 121.5 | 105.9 | 151.7 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 653 | E | 23.5 | Very low | 24.7 | Very low | 196 Ų | 196 | 153.8 Ų | 153.8 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | trans | -91 | 138.3 | 165.9 | -65.6 | -172.2 | 135.5 | 0 | 0 | 110.5 | ||||
| 654 | A | 27.3 | Very low | 24.7 | Very low | 91 Ų | 91 | 153.3 Ų | 153.3 | 75% | 0.752 | 83% | 0.828 | S | S | * | * | trans | -136.6 | 121.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | V656 | A654-V656 PolarHBondContact O-N 2.88Š| ||
| 655 | K | 27.2 | Very low | 24.6 | Very low | 201 Ų | 201 | 154.4 Ų | 154.4 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | trans | -70.2 | 127.7 | -172.1 | -83.9 | 173.6 | 173.3 | 167.4 | 0 | 113 | V657 | K655-V657 PolarHBondContact O-N 3.37Š| ||
| 656 | V | 24.2 | Very low | 24.8 | Very low | 145 Ų | 145 | 151.3 Ų | 151.3 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -70.8 | 123.2 | 160.2 | 179.3 | 0 | 0 | 0 | 0 | 108.9 | A654 | A654-V656 PolarHBondContact O-N 2.88Š| ||
| 657 | V | 25 | Very low | 25.6 | Very low | 126 Ų | 126 | 146.4 Ų | 146.4 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | trans | -104.9 | 133.3 | 175.2 | 176.7 | 0 | 0 | 0 | 0 | 109.2 | K655 | K655-V657 PolarHBondContact O-N 3.37Š| ||
| 658 | R | 21.2 | Very low | 25.4 | Very low | 228 Ų | 228 | 143.6 Ų | 143.6 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -76.6 | 140.3 | 175.8 | -66.4 | 176.3 | 176.2 | 145.6 | -2.1 | 110.6 | ||||
| 659 | S | 28.7 | Very low | 25.4 | Very low | 118 Ų | 118 | 145.8 Ų | 145.8 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -131 | 108.5 | 164 | 58.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 660 | E | 23 | Very low | 25.5 | Very low | 197 Ų | 197 | 147.5 Ų | 147.5 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -77.8 | 138.6 | 172.5 | -63.9 | 170.6 | 165.8 | 0 | 0 | 109.3 | ||||
| 661 | G | 27.2 | Very low | 25.3 | Very low | 76 Ų | 76 | 145.2 Ų | 145.2 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | -159 | 126.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 662 | Q | 23 | Very low | 25.3 | Very low | 186 Ų | 186 | 145.1 Ų | 145.1 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | trans | -94.5 | 143 | -165.5 | -65.4 | 175.2 | -36.4 | 0 | 0 | 113.4 | ||||
| 663 | S | 23.3 | Very low | 25.2 | Very low | 99 Ų | 99 | 146.5 Ų | 146.5 | 69% | 0.692 | 81% | 0.811 | S | S | * | * | trans | 38.5 | 124 | 144.8 | 64.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 664 | L | 26.5 | Very low | 25.4 | Very low | 175 Ų | 175 | 146.3 Ų | 146.3 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | -144.1 | 150.7 | 134.6 | -103.7 | 173.6 | 0 | 0 | 0 | 109.7 | ||||
| 665 | N | 22.8 | Very low | 25.4 | Very low | 139 Ų | 139 | 153.8 Ų | 153.8 | 74% | 0.743 | 82% | 0.819 | S | S | * | * | trans | -106.3 | 130.6 | -164.2 | -65 | -56.4 | 0 | 0 | 0 | 113.6 | ||||
| 666 | S | 26.3 | Very low | 25.4 | Very low | 110 Ų | 110 | 152.5 Ų | 152.5 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | trans | 55.9 | 174.5 | 138.4 | 81 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 667 | P | 37.1 | Very low | 25.4 | Very low | 105 Ų | 105 | 151.2 Ų | 151.2 | 68% | 0.682 | 82% | 0.817 | S | S | * | * | cis | -128.1 | 173.5 | -2.8 | 42.7 | -27.3 | 0 | 0 | 0 | 116.6 | ||||
| 668 | V | 21.5 | Very low | 25.8 | Very low | 119 Ų | 119 | 149.7 Ų | 149.7 | 72% | 0.721 | 81% | 0.812 | S | S | * | * | trans | -36.8 | 137 | 165.7 | -179.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 669 | E | 23.8 | Very low | 26.3 | Very low | 177 Ų | 177 | 148.2 Ų | 148.2 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | trans | -139.1 | 155 | 137.1 | -142.6 | 158.6 | -124.8 | 0 | 0 | 109.2 | ||||
| 670 | N | 24.4 | Very low | 26.3 | Very low | 147 Ų | 147 | 148.2 Ų | 148.2 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | trans | -84.7 | 148.4 | -150.8 | -83.6 | -22.1 | 0 | 0 | 0 | 116.6 | ||||
| 671 | V | 23.5 | Very low | 26.8 | Very low | 133 Ų | 133 | 146.5 Ų | 146.5 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | trans | -67.9 | 127.5 | 164.3 | 176.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 672 | N | 23 | Very low | 26.9 | Very low | 151 Ų | 151 | 152.9 Ų | 152.9 | 81% | 0.807 | 81% | 0.809 | S | S | * | * | trans | -160.1 | 107.5 | 153.7 | -99.2 | -23 | 0 | 0 | 0 | 108.3 | ||||
| 673 | D | 27.6 | Very low | 27 | Very low | 157 Ų | 157 | 149.1 Ų | 149.1 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | 164.3 | 91.8 | 147.5 | -89.7 | -10.4 | 0 | 0 | 0 | 108.5 | R675 | D673-R675 PolarHBondContact O-N 3.16Š| ||
| 674 | E | 26.7 | Very low | 27.2 | Very low | 192 Ų | 192 | 150.3 Ų | 150.3 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | -70.4 | 129.1 | 176.7 | -67.1 | -169.5 | 130 | 0 | 0 | 110.9 | L676 | E674-L676 PolarHBondContact O-N 3.33Å; E674-L676 VanDerWaalsContact O-N 3.08Å | ||
| 675 | R | 27.8 | Very low | 27.1 | Very low | 248 Ų | 248 | 147.1 Ų | 147.1 | 94% | 0.936 | 80% | 0.799 | S | S | * | * | trans | -72.7 | 102.9 | -174.5 | -67.5 | 176.6 | 176.1 | 174 | -2.2 | 111.2 | D673 C677 | D673-R675 PolarHBondContact O-N 3.16Å; R675-C677 PolarHBondContact O-N 2.86Å | ||
| 676 | L | 27.1 | Very low | 27.4 | Very low | 175 Ų | 175 | 148.7 Ų | 148.7 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | trans | -57.3 | 133.4 | 168.8 | -77.4 | 166.4 | 0 | 0 | 0 | 111.1 | E674 | E674-L676 PolarHBondContact O-N 3.33Å; E674-L676 VanDerWaalsContact O-N 3.08Å | ||
| 677 | C | 24.8 | Very low | 27.5 | Very low | 117 Ų | 117 | 150.8 Ų | 150.8 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | trans | -68.3 | 139.3 | -170.3 | -172 | 0 | 0 | 0 | 0 | 113 | R675 F679 | R675-C677 PolarHBondContact O-N 2.86Å; C677-F679 VanDerWaalsContact C-N 3.29Å; C677-F679 PolarHBondContact O-N 2.96Å | ||
| 678 | S | 33.7 | Very low | 26.9 | Very low | 95 Ų | 95 | 153.6 Ų | 153.6 | 66% | 0.664 | 82% | 0.816 | S | S | * | * | G | 310 helix | trans | -81.7 | 24.8 | -159.2 | 58.3 | 0 | 0 | 0 | 0 | 116.6 | ||
| 679 | F | 30 | Very low | 27.2 | Very low | 197 Ų | 197 | 153.3 Ų | 153.3 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | G | 310 helix | trans | -81.2 | -15 | -179.7 | -154.1 | -101.2 | 0 | 0 | 0 | 113.9 | C677 | C677-F679 VanDerWaalsContact C-N 3.29Å; C677-F679 PolarHBondContact O-N 2.96Å |
| 680 | C | 28.9 | Very low | 27.8 | Very low | 118 Ų | 118 | 150.2 Ų | 150.2 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | G | 310 helix | trans | -92.5 | 12.9 | -177.4 | -62.7 | 0 | 0 | 0 | 0 | 115.3 | ||
| 681 | Q | 33.3 | Very low | 27.9 | Very low | 161 Ų | 161 | 152.8 Ų | 152.8 | 75% | 0.752 | 82% | 0.819 | S | S | * | * | trans | -105.1 | 19.7 | -171.9 | -100.9 | -174.6 | -8.5 | 0 | 0 | 115.9 | ||||
| 682 | K | 29 | Very low | 27.9 | Very low | 210 Ų | 210 | 151.8 Ų | 151.8 | 91% | 0.913 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -118.2 | 29.6 | -177.4 | -87.7 | -169.3 | 173.2 | -177.1 | 0 | 116 | ||
| 683 | S | 26.9 | Very low | 27.9 | Very low | 106 Ų | 106 | 151.8 Ų | 151.8 | 74% | 0.741 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -131.7 | 13.6 | 178.1 | 54.4 | 0 | 0 | 0 | 0 | 115.3 | ||
| 684 | T | 26.7 | Very low | 27.9 | Very low | 125 Ų | 125 | 150.7 Ų | 150.7 | 77% | 0.767 | 82% | 0.816 | S | S | * | * | trans | -132.1 | 53.5 | -171.3 | 44.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 685 | S | 24.6 | Very low | 27.8 | Very low | 107 Ų | 107 | 147.2 Ų | 147.2 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | -146.9 | 46.9 | 177.3 | 70.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 686 | L | 29.9 | Very low | 27.7 | Very low | 172 Ų | 172 | 143.4 Ų | 143.4 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -126.7 | 78.7 | 167.4 | -75.8 | 177.8 | 0 | 0 | 0 | 112.4 | ||
| 687 | L | 27.9 | Very low | 27.5 | Very low | 155 Ų | 155 | 143.2 Ų | 143.2 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | 24.9 | 100.8 | 147.1 | -63 | 169.7 | 0 | 0 | 0 | 119.9 | ||||
| 688 | L | 24.2 | Very low | 27.5 | Very low | 163 Ų | 163 | 142.4 Ų | 142.4 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | 26.1 | 111.4 | 121.2 | -72.1 | 161.3 | 0 | 0 | 0 | 119.1 | |||||
| 689 | S | 27.6 | Very low | 27.3 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | -155.5 | 137.1 | 125.4 | 58.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 690 | P | 36.7 | Very low | 26.9 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -105.5 | 143.6 | 179.3 | 36.7 | -30.6 | 0 | 0 | 0 | 112.7 | ||||
| 691 | F | 26.9 | Very low | 26.7 | Very low | 200 Ų | 200 | 139 Ų | 139 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -139.2 | 118.1 | 166 | -108.5 | -85 | 0 | 0 | 0 | 113.6 | ||||
| 692 | C | 23.1 | Very low | 26.4 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 76% | 0.757 | 81% | 0.811 | S | S | * | * | trans | 33.5 | 116.4 | 155 | -60.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 693 | N | 22.3 | Very low | 26.1 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | trans | -37.6 | 139.5 | 152.6 | -55.7 | -21 | 0 | 0 | 0 | 114.7 | ||||
| 694 | T | 28.5 | Very low | 26.1 | Very low | 135 Ų | 135 | 138 Ų | 138 | 83% | 0.828 | 81% | 0.81 | S | S | * | * | trans | -131 | 86.4 | 148.8 | 38.3 | 0 | 0 | 0 | 0 | 109.8 | I696 | T694-I696 PolarHBondContact O-N 2.92Š| ||
| 695 | T | 24.2 | Very low | 26 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 73% | 0.73 | 81% | 0.813 | S | S | * | * | trans | -69.2 | 115.5 | 171.2 | 43.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 696 | I | 26.3 | Very low | 26.2 | Very low | 167 Ų | 167 | 140 Ų | 140 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | -104.6 | 98.1 | 164.3 | -60.6 | 180 | 0 | 0 | 0 | 107.1 | T694 | T694-I696 PolarHBondContact O-N 2.92Š| ||
| 697 | E | 23 | Very low | 25.9 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | trans | -91.2 | 174.6 | 172.5 | -69.9 | -166.4 | 125.2 | 0 | 0 | 111.9 | ||||
| 698 | A | 25.1 | Very low | 25.9 | Very low | 100 Ų | 100 | 138.6 Ų | 138.6 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | 68 | 92.3 | 162 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 699 | G | 28 | Very low | 25.9 | Very low | 83 Ų | 83 | 137.4 Ų | 137.4 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -153.3 | 61.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 700 | I | 22.9 | Very low | 25.7 | Very low | 154 Ų | 154 | 142.7 Ų | 142.7 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -87.5 | 149.8 | -169 | -49.8 | 178.1 | 0 | 0 | 0 | 111.2 | ||||
| 701 | S | 24.4 | Very low | 25 | Very low | 103 Ų | 103 | 143.7 Ų | 143.7 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | trans | 62.9 | 109.1 | 159.4 | 50.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 702 | E | 27.5 | Very low | 24.9 | Very low | 198 Ų | 198 | 142.3 Ų | 142.3 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | -139.7 | 140.4 | 114.6 | -145.2 | 165.9 | -153.4 | 0 | 0 | 110.4 | |||||
| 703 | L | 22.1 | Very low | 24.9 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -104.4 | 112.2 | -176.9 | -88.4 | 153.2 | 0 | 0 | 0 | 109.5 | ||||
| 704 | A | 27.2 | Very low | 24.8 | Very low | 95 Ų | 95 | 140.7 Ų | 140.7 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -128.7 | 98.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | I706 | A704-I706 PolarHBondContact O-N 3.08Š| ||
| 705 | S | 24.8 | Very low | 24.7 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -77.3 | 103.4 | -173.2 | -53.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 706 | I | 28 | Very low | 24.6 | Very low | 156 Ų | 156 | 139 Ų | 139 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -135.7 | 111.8 | 163.6 | -55.4 | -179.3 | 0 | 0 | 0 | 108 | A704 P708 | A704-I706 PolarHBondContact O-N 3.08Å; I706-P708 WeakPolarHBondContact O-CD 3.3Å | ||
| 707 | E | 23.6 | Very low | 24.6 | Very low | 182 Ų | 182 | 137.9 Ų | 137.9 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | -73.6 | 124.5 | 178.7 | -70.9 | -172.4 | 129.5 | 0 | 0 | 111.2 | N709 | E707-N709 PolarHBondContact O-N 3.26Š| ||
| 708 | P | 27.1 | Very low | 24.6 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | trans | -86.8 | 91.1 | -177.5 | 33.7 | -33.4 | 0 | 0 | 0 | 110.9 | I706 R710 | I706-P708 WeakPolarHBondContact O-CD 3.3Å; P708-R710 PolarHBondContact O-N 2.66Å | ||
| 709 | N | 24.2 | Very low | 24.6 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | -68.8 | 84.6 | 167.8 | -105.8 | -35 | 0 | 0 | 0 | 110.5 | E707 T711 | E707-N709 PolarHBondContact O-N 3.26Å; N709-T711 PolarHBondContact O-N 2.91Å | ||
| 710 | R | 23 | Very low | 24.5 | Very low | 225 Ų | 225 | 140 Ų | 140 | 85% | 0.849 | 79% | 0.786 | S | S | * | * | trans | -66.2 | 110.5 | 162.3 | -72.7 | 177.1 | 169.6 | -177.7 | -3.8 | 108.7 | P708 | P708-R710 PolarHBondContact O-N 2.66Š| ||
| 711 | T | 23.4 | Very low | 24.7 | Very low | 133 Ų | 133 | 140 Ų | 140 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | trans | -97.4 | 112.7 | 146.3 | 47.6 | 0 | 0 | 0 | 0 | 108.3 | N709 V713 | N709-T711 PolarHBondContact O-N 2.91Å; T711-V713 PolarHBondContact O-N 3.31Å | ||
| 712 | E | 23.5 | Very low | 24.9 | Very low | 171 Ų | 171 | 141.2 Ų | 141.2 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | -41.7 | 120.8 | 175 | -67.7 | 147.1 | 168.9 | 0 | 0 | 110.8 | ||||
| 713 | V | 23.3 | Very low | 24.8 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 70% | 0.697 | 78% | 0.783 | S | S | * | * | 55.7 | 75.5 | 78.6 | -175.9 | 0 | 0 | 0 | 0 | 110.5 | T711 T715 | T711-V713 PolarHBondContact O-N 3.31Å; V713-T715 VanDerWaalsContact C-N 3.29Å; V713-T715 HydrophobicContact CG1-CG2 3.79Å; V713-T715 PolarHBondContact O-N 2.82Å; V713-T715 VanDerWaalsContact O-N 3.14Å | |||
| 714 | S | 21.6 | Very low | 25.2 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -74.5 | 85.2 | 154.6 | 58.5 | 0 | 0 | 0 | 0 | 108.6 | T716 | S714-T716 PolarHBondContact O-N 3.4Š| ||
| 715 | T | 24.9 | Very low | 25.1 | Very low | 102 Ų | 102 | 140.2 Ų | 140.2 | 63% | 0.626 | 78% | 0.783 | S | S | * | * | trans | -62.7 | 108.1 | 169.3 | 27 | 0 | 0 | 0 | 0 | 109.4 | V713 D717 | V713-T715 VanDerWaalsContact C-N 3.29Å; V713-T715 HydrophobicContact CG1-CG2 3.79Å; V713-T715 PolarHBondContact O-N 2.82Å; V713-T715 VanDerWaalsContact O-N 3.14Å; T715-D717 PolarHBondContact O-N 2.8Å | ||
| 716 | T | 23.7 | Very low | 25.3 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | trans | -72.2 | 104.4 | 158.4 | 49.4 | 0 | 0 | 0 | 0 | 107.4 | S714 H718 | S714-T716 PolarHBondContact O-N 3.4Å; T716-H718 PolarHBondContact O-N 3.26Å | ||
| 717 | D | 24.8 | Very low | 25.3 | Very low | 142 Ų | 142 | 137.4 Ų | 137.4 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | -66 | 88.1 | -173 | -67.2 | -44.1 | 0 | 0 | 0 | 112.8 | T715 A719 | T715-D717 PolarHBondContact O-N 2.8Å; D717-A719 PolarHBondContact O-N 3.14Å | ||
| 718 | H | 23.8 | Very low | 25.6 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 78% | 0.778 | 76% | 0.761 | S | S | * | * | trans | -77.9 | 80.5 | 159.2 | -81.5 | -52.8 | 0 | 0 | 0 | 109.4 | T716 T720 | T716-H718 PolarHBondContact O-N 3.26Å; H718-T720 PolarHBondContact O-N 3Å; H718-T720 VanDerWaalsContact O-N 3.09Å | ||
| 719 | A | 24.5 | Very low | 26.1 | Very low | 97 Ų | 97 | 134.4 Ų | 134.4 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | trans | -53.1 | 115 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | D717 | D717-A719 PolarHBondContact O-N 3.14Š| ||
| 720 | T | 26.9 | Very low | 26.5 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | trans | -102 | 126.5 | 166.7 | 35.3 | 0 | 0 | 0 | 0 | 108.1 | H718 | H718-T720 PolarHBondContact O-N 3Å; H718-T720 VanDerWaalsContact O-N 3.09Å | ||
| 721 | E | 26.1 | Very low | 27.1 | Very low | 154 Ų | 154 | 124.4 Ų | 124.4 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | trans | -70.3 | 135.2 | -171.6 | -55.9 | 155.3 | 132.7 | 0 | 0 | 111 | ||||
| 722 | T | 28 | Very low | 27.7 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | trans | -170.2 | 107.6 | 134 | 10.9 | 0 | 0 | 0 | 0 | 110.6 | N724 | T722-N724 PolarHBondContact O-N 3.04Š| ||
| 723 | D | 26.8 | Very low | 28.6 | Very low | 161 Ų | 161 | 123.6 Ų | 123.6 | 86% | 0.861 | 71% | 0.709 | S | S | * | * | trans | -64.4 | 123.8 | 169.6 | -63.7 | -72.4 | 0 | 0 | 0 | 110.5 | ||||
| 724 | N | 29.4 | Very low | 29 | Very low | 138 Ų | 138 | 127 Ų | 127 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | trans | -136.2 | 119.3 | 165.6 | -97.6 | -55.7 | 0 | 0 | 0 | 108.5 | T722 L726 | T722-N724 PolarHBondContact O-N 3.04Å; N724-L726 PolarHBondContact O-N 3.48Å | ||
| 725 | C | 25.3 | Very low | 29.7 | Very low | 135 Ų | 135 | 124.2 Ų | 124.2 | 91% | 0.912 | 69% | 0.694 | S | S | * | * | trans | -68 | 90.2 | -161.4 | -58.4 | 0 | 0 | 0 | 0 | 113.9 | C727 | C725-C727 PolarHBondContact O-N 3.27Š| ||
| 726 | L | 29.2 | Very low | 30.1 | Very low | 130 Ų | 130 | 126.6 Ų | 126.6 | 68% | 0.681 | 70% | 0.695 | S | S | * | * | trans | -81.4 | 95.7 | 173.8 | -93.7 | 154.4 | 0 | 0 | 0 | 111.4 | N724 C730 | N724-L726 PolarHBondContact O-N 3.48Å; L726-C730 HydrophobicContact CD2-CB 3.72Å | ||
| 727 | C | 27.4 | Very low | 30.6 | Very low | 84 Ų | 84 | 124.2 Ų | 124.2 | 57% | 0.568 | 68% | 0.683 | S | S | * | * | trans | -43.4 | 140.2 | 173.4 | 179.3 | 0 | 0 | 0 | 0 | 113.1 | C725 V729 C730 | C725-C727 PolarHBondContact O-N 3.27Å; C727-V729 PolarHBondContact O-N 3.48Å; C727-C730 WeakPolarHBondContact O-CB 3.19Å; C727-C730 PolarHBondContact O-N 3.49Å | ||
| 728 | L | 30.7 | Very low | 31.1 | Very low | 143 Ų | 143 | 123.2 Ų | 123.2 | 75% | 0.749 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -52.7 | -24.6 | -172.3 | -164.3 | 68.2 | 0 | 0 | 0 | 114.9 | C730 V731 K732 | L728-C730 VanDerWaalsContact C-N 3.27Å; L728-C730 PolarHBondContact O-N 3.14Å; L728-V731 PolarHBondContact O-N 3.07Å; L728-K732 PolarHBondContact O-N 3.45Å |
| 729 | V | 38.5 | Very low | 31.7 | Very low | 92 Ų | 92 | 120.2 Ų | 120.2 | 56% | 0.558 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -55.6 | -40.6 | 173 | 179.6 | 0 | 0 | 0 | 0 | 111.7 | C727 V731 K732 L733 | C727-V729 PolarHBondContact O-N 3.48Å; V729-V731 PolarHBondContact O-N 3.2Å; V729-K732 PolarHBondContact O-N 3.4Å; V729-L733 HydrophobicContact CG1-CD1 4.06Å; V729-L733 PolarHBondContact O-N 3.42Å; V729-L733 VanDerWaalsContact O-N 3.13Å |
| 730 | C | 31.1 | Very low | 32.2 | Very low | 60 Ų | 60 | 120.8 Ų | 120.8 | 41% | 0.405 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -68.2 | -33 | -177.4 | -68.2 | 0 | 0 | 0 | 0 | 112.8 | L726 C727 L728 L733 R734 | L726-C730 HydrophobicContact CD2-CB 3.72Å; C727-C730 WeakPolarHBondContact O-CB 3.19Å; C727-C730 PolarHBondContact O-N 3.49Å; L728-C730 VanDerWaalsContact C-N 3.27Å; L728-C730 PolarHBondContact O-N 3.14Å; C730-L733 PolarHBondContact O-N 2.94Å; C730-R734 WeakPolarHBondContact O-CB 3.28Å; C730-R734 PolarHBondContact O-N 2.9Å |
| 731 | V | 36.6 | Very low | 32.5 | Very low | 93 Ų | 93 | 124.4 Ų | 124.4 | 56% | 0.564 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -65.5 | -46.3 | 176.7 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | L728 V729 L733 R734 A735 | L728-V731 PolarHBondContact O-N 3.07Å; V729-V731 PolarHBondContact O-N 3.2Å; V731-L733 VanDerWaalsContact C-N 3.34Å; V731-L733 PolarHBondContact O-N 3.12Å; V731-R734 PolarHBondContact O-N 3.47Å; V731-A735 PolarHBondContact O-N 3.35Å |
| 732 | K | 36.7 | Very low | 32.8 | Very low | 172 Ų | 172 | 120.8 Ų | 120.8 | 75% | 0.748 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -65.3 | -34.6 | 178.7 | -115.9 | 173.5 | -178.7 | 172.8 | 0 | 113 | L728 V729 K736 | L728-K732 PolarHBondContact O-N 3.45Å; V729-K732 PolarHBondContact O-N 3.4Å; K732-K736 PolarHBondContact O-N 3.21Å |
| 733 | L | 40.8 | Very low | 33 | Very low | 114 Ų | 114 | 120.7 Ų | 120.7 | 60% | 0.597 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -71.6 | -41.6 | 174 | -74.6 | 171.8 | 0 | 0 | 0 | 112.6 | V729 C730 V731 A735 K736 S737 | V729-L733 HydrophobicContact CG1-CD1 4.06Å; V729-L733 PolarHBondContact O-N 3.42Å; V729-L733 VanDerWaalsContact O-N 3.13Å; C730-L733 PolarHBondContact O-N 2.94Å; V731-L733 VanDerWaalsContact C-N 3.34Å; V731-L733 PolarHBondContact O-N 3.12Å; L733-A735 VanDerWaalsContact C-N 3.34Å; L733-A735 PolarHBondContact O-N 2.99Å; L733-K736 PolarHBondContact O-N 3.31Å; L733-S737 WeakPolarHBondContact O-CB 3.43Å; L733-S737 PolarHBondContact O-N 3.15Å |
| 734 | R | 32.3 | Very low | 33.1 | Very low | 188 Ų | 188 | 117.4 Ų | 117.4 | 71% | 0.709 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.5 | -34.9 | 179.6 | -150.5 | 170.5 | -165.1 | 167.1 | 3.5 | 112.1 | C730 V731 S737 L738 | C730-R734 WeakPolarHBondContact O-CB 3.28Å; C730-R734 PolarHBondContact O-N 2.9Å; V731-R734 PolarHBondContact O-N 3.47Å; R734-S737 PolarHBondContact O-N 3.01Å; R734-L738 PolarHBondContact O-N 2.81Å |
| 735 | A | 35.9 | Very low | 33.2 | Very low | 56 Ų | 56 | 117 Ų | 117 | 46% | 0.463 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -61.2 | -48.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V731 L733 L738 V739 | V731-A735 PolarHBondContact O-N 3.35Å; L733-A735 VanDerWaalsContact C-N 3.34Å; L733-A735 PolarHBondContact O-N 2.99Å; A735-L738 PolarHBondContact O-N 3.36Å; A735-V739 PolarHBondContact O-N 3.49Å |
| 736 | K | 33.8 | Very low | 33.2 | Very low | 151 Ų | 151 | 118.2 Ų | 118.2 | 66% | 0.657 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -63.7 | -40.8 | 175 | -84.7 | -168.6 | 170.5 | -173.3 | 0 | 112.4 | K732 L733 L738 V739 T740 | K732-K736 PolarHBondContact O-N 3.21Å; L733-K736 PolarHBondContact O-N 3.31Å; K736-L738 PolarHBondContact O-N 2.99Å; K736-V739 PolarHBondContact O-N 2.94Å; K736-T740 PolarHBondContact O-N 3.19Å; K736-T740 VanDerWaalsContact O-N 3.09Å; K736-T740 PolarHBondContact O-OG1 2.92Å |
| 737 | S | 35.1 | Very low | 33.1 | Very low | 67 Ų | 67 | 116.1 Ų | 116.1 | 47% | 0.469 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -59.4 | -43.3 | 178.5 | -179.7 | 0 | 0 | 0 | 0 | 112.7 | L733 R734 T740 R741 | L733-S737 WeakPolarHBondContact O-CB 3.43Å; L733-S737 PolarHBondContact O-N 3.15Å; R734-S737 PolarHBondContact O-N 3.01Å; S737-T740 WeakPolarHBondContact CA-OG1 3.19Å; S737-T740 PolarHBondContact O-N 3.03Å; S737-T740 PolarHBondContact O-OG1 2.8Å; S737-R741 PolarHBondContact O-N 3.37Å; S737-R741 VanDerWaalsContact O-N 3.14Å |
| 738 | L | 34.3 | Very low | 33.1 | Very low | 122 Ų | 122 | 117.8 Ų | 117.8 | 64% | 0.639 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.2 | -41.8 | 177.6 | -81.1 | 164.9 | 0 | 0 | 0 | 112.6 | R734 A735 K736 T740 R741 A742 | R734-L738 PolarHBondContact O-N 2.81Å; A735-L738 PolarHBondContact O-N 3.36Å; K736-L738 PolarHBondContact O-N 2.99Å; L738-T740 VanDerWaalsContact C-N 3.32Å; L738-T740 PolarHBondContact O-N 3.45Å; L738-R741 PolarHBondContact O-N 3.03Å; L738-R741 VanDerWaalsContact O-N 3.13Å; L738-A742 PolarHBondContact O-N 3.28Å |
| 739 | V | 35.8 | Very low | 32.8 | Very low | 105 Ų | 105 | 116.9 Ų | 116.9 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -60.6 | -41.7 | 174.9 | 176 | 0 | 0 | 0 | 0 | 111 | A735 K736 R741 A742 | A735-V739 PolarHBondContact O-N 3.49Å; K736-V739 PolarHBondContact O-N 2.94Å; V739-R741 VanDerWaalsContact C-N 3.28Å; V739-R741 PolarHBondContact O-N 3.39Å; V739-A742 PolarHBondContact O-N 3.3Å |
| 740 | T | 35.9 | Very low | 32.2 | Very low | 108 Ų | 108 | 120.6 Ų | 120.6 | 66% | 0.663 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -68.8 | -20.4 | 176.6 | 47.7 | 0 | 0 | 0 | 0 | 114.7 | K736 S737 L738 | K736-T740 PolarHBondContact O-N 3.19Å; K736-T740 VanDerWaalsContact O-N 3.09Å; K736-T740 PolarHBondContact O-OG1 2.92Å; S737-T740 WeakPolarHBondContact CA-OG1 3.19Å; S737-T740 PolarHBondContact O-N 3.03Å; S737-T740 PolarHBondContact O-OG1 2.8Å; L738-T740 VanDerWaalsContact C-N 3.32Å; L738-T740 PolarHBondContact O-N 3.45Å |
| 741 | R | 33 | Very low | 31.9 | Very low | 211 Ų | 211 | 124 Ų | 124 | 80% | 0.796 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 4.9 | 179.7 | -127.4 | -177.7 | 84.8 | 155.4 | 5.6 | 114.6 | S737 L738 V739 | S737-R741 PolarHBondContact O-N 3.37Å; S737-R741 VanDerWaalsContact O-N 3.14Å; L738-R741 PolarHBondContact O-N 3.03Å; L738-R741 VanDerWaalsContact O-N 3.13Å; V739-R741 VanDerWaalsContact C-N 3.28Å; V739-R741 PolarHBondContact O-N 3.39Å |
| 742 | A | 32.5 | Very low | 31.4 | Very low | 78 Ų | 78 | 126.4 Ų | 126.4 | 65% | 0.645 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -100.1 | -2.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | L738 V739 | L738-A742 PolarHBondContact O-N 3.28Å; V739-A742 PolarHBondContact O-N 3.3Å |
| 743 | V | 31.2 | Very low | 30.7 | Very low | 126 Ų | 126 | 123.6 Ų | 123.6 | 76% | 0.764 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -111 | 27.7 | -171.7 | -161.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 744 | S | 29.6 | Very low | 30 | Very low | 93 Ų | 93 | 121.1 Ų | 121.1 | 65% | 0.65 | 71% | 0.705 | S | S | * | * | trans | -139.4 | 54.8 | -175 | 70.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 745 | T | 31 | Very low | 29.7 | Very low | 130 Ų | 130 | 119.2 Ų | 119.2 | 80% | 0.798 | 71% | 0.714 | S | S | * | * | trans | -141.3 | 117.5 | 163.7 | 50.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 746 | D | 26 | Very low | 29.1 | Very low | 159 Ų | 159 | 128.2 Ų | 128.2 | 85% | 0.85 | 74% | 0.736 | S | S | * | * | trans | -67.2 | 134.1 | -177.6 | -77.7 | -70.9 | 0 | 0 | 0 | 113.7 | ||||
| 747 | A | 28.1 | Very low | 28.4 | Very low | 86 Ų | 86 | 129.7 Ų | 129.7 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | trans | -147.5 | 79.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | V749 | A747-V749 PolarHBondContact O-N 3.28Š| ||
| 748 | V | 26.4 | Very low | 28.1 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | -71.2 | 85.2 | -175 | -176.7 | 0 | 0 | 0 | 0 | 111.3 | K750 | V748-K750 HydrophobicContact CG1-CG 4.46Å; V748-K750 PolarHBondContact O-N 3.13Å | ||
| 749 | V | 25.2 | Very low | 27.5 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | trans | -88.9 | 96.4 | 168.2 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | A747 V751 | A747-V749 PolarHBondContact O-N 3.28Å; V749-V751 HydrophobicContact CG1-CG2 4.43Å; V749-V751 PolarHBondContact O-N 3.19Å | ||
| 750 | K | 24.2 | Very low | 27 | Very low | 170 Ų | 170 | 135.3 Ų | 135.3 | 74% | 0.739 | 78% | 0.779 | S | S | * | * | trans | -63 | 127.4 | 169.1 | -72.5 | -177.2 | 175.7 | -177.8 | 0 | 110.2 | V748 | V748-K750 HydrophobicContact CG1-CG 4.46Å; V748-K750 PolarHBondContact O-N 3.13Å | ||
| 751 | V | 25.8 | Very low | 26.5 | Very low | 133 Ų | 133 | 138 Ų | 138 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | -127.9 | 115.3 | 157.4 | -177.5 | 0 | 0 | 0 | 0 | 106 | V749 | V749-V751 HydrophobicContact CG1-CG2 4.43Å; V749-V751 PolarHBondContact O-N 3.19Å | ||
| 752 | D | 26.2 | Very low | 26.2 | Very low | 142 Ų | 142 | 137.8 Ų | 137.8 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | -71.8 | 150.6 | -167.3 | -69.3 | -64.1 | 0 | 0 | 0 | 113.4 | G754 | D752-G754 PolarHBondContact O-N 3.37Š| ||
| 753 | A | 22.7 | Very low | 26 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 93% | 0.934 | 80% | 0.796 | S | S | * | * | trans | -71.9 | 126.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 754 | G | 24.3 | Very low | 25.7 | Very low | 63 Ų | 63 | 138.1 Ų | 138.1 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | trans | -142.4 | 131.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D752 | D752-G754 PolarHBondContact O-N 3.37Š| ||
| 755 | T | 26.5 | Very low | 25.5 | Very low | 147 Ų | 147 | 142 Ų | 142 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | 53 | 98.3 | 169.7 | 49.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 756 | R | 23.2 | Very low | 25.4 | Very low | 245 Ų | 245 | 144.3 Ų | 144.3 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -60 | 150.4 | 161.4 | -61.5 | 166.2 | 170.4 | 161.7 | -7 | 111.6 | ||||
| 757 | M | 20.3 | Very low | 25.3 | Very low | 182 Ų | 182 | 145 Ų | 145 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | trans | -125.5 | 151.2 | 142.6 | -74.3 | -163.8 | 73.3 | 0 | 0 | 109.7 | ||||
| 758 | P | 27.5 | Very low | 25.2 | Very low | 112 Ų | 112 | 148.3 Ų | 148.3 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -100.3 | 157.6 | -159.2 | 37.6 | -34.9 | 0 | 0 | 0 | 115.2 | ||||
| 759 | L | 22.9 | Very low | 25.2 | Very low | 174 Ų | 174 | 148.5 Ų | 148.5 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | trans | -75.7 | 134.7 | 163.1 | -64.6 | 160 | 0 | 0 | 0 | 110.3 | ||||
| 760 | V | 24.8 | Very low | 25.4 | Very low | 126 Ų | 126 | 151.6 Ų | 151.6 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | trans | -144.4 | 104.4 | 153.1 | -174.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 761 | E | 25 | Very low | 25.5 | Very low | 165 Ų | 165 | 150.9 Ų | 150.9 | 77% | 0.771 | 81% | 0.813 | S | S | * | * | trans | 21.3 | 118.8 | 144.7 | -60.1 | 173.6 | 168.8 | 0 | 0 | 120.7 | ||||
| 762 | H | 26.1 | Very low | 25.5 | Very low | 207 Ų | 207 | 150.4 Ų | 150.4 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | trans | -86.5 | 107.7 | 157.4 | -96 | -97.4 | 0 | 0 | 0 | 110.4 | ||||
| 763 | T | 28.7 | Very low | 25.4 | Very low | 118 Ų | 118 | 152.1 Ų | 152.1 | 72% | 0.724 | 81% | 0.813 | S | S | * | * | trans | -89.4 | 122.9 | 175.2 | 53.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 764 | A | 25.6 | Very low | 25.6 | Very low | 93 Ų | 93 | 152.6 Ų | 152.6 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | 13.1 | 110.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 765 | I | 25.6 | Very low | 25.6 | Very low | 174 Ų | 174 | 158.6 Ų | 158.6 | 89% | 0.892 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 122.6 | 152.4 | -63.4 | 176.6 | 0 | 0 | 0 | 107.1 | ||
| 766 | Q | 27.5 | Very low | 25.6 | Very low | 178 Ų | 178 | 159 Ų | 159 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 155.3 | -177.9 | -72.4 | -179.9 | -31.2 | 0 | 0 | 112.1 | ||
| 767 | K | 25.5 | Very low | 25.6 | Very low | 173 Ų | 173 | 155.3 Ų | 155.3 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 149 | 168.5 | -64.2 | -177.3 | 172 | -166.2 | 0 | 110.8 | ||
| 768 | L | 25.5 | Very low | 25.8 | Very low | 157 Ų | 157 | 152.6 Ų | 152.6 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -126.8 | 91.5 | 157.2 | -166.5 | 76.6 | 0 | 0 | 0 | 108.1 | K770 | L768-K770 PolarHBondContact O-N 3.34Š| ||
| 769 | D | 27 | Very low | 25.6 | Very low | 124 Ų | 124 | 153.2 Ų | 153.2 | 66% | 0.663 | 81% | 0.805 | S | S | * | * | trans | -66 | 130.7 | 178.8 | -56.3 | -63.6 | 0 | 0 | 0 | 109.7 | ||||
| 770 | K | 28 | Very low | 25.7 | Very low | 187 Ų | 187 | 151.5 Ų | 151.5 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -124.6 | 125.8 | 163.4 | -81.7 | -167.7 | 171.7 | -172.8 | 0 | 108.4 | L768 | L768-K770 PolarHBondContact O-N 3.34Š| ||
| 771 | I | 27 | Very low | 25.6 | Very low | 155 Ų | 155 | 151.5 Ų | 151.5 | 80% | 0.795 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 131.3 | -168.1 | -62.2 | 162.1 | 0 | 0 | 0 | 109.2 | E773 | I771-E773 HydrophobicContact CG2-CG 4.27Š|
| 772 | V | 24.7 | Very low | 25.6 | Very low | 124 Ų | 124 | 148.3 Ų | 148.3 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 120.9 | 160.7 | 176.7 | 0 | 0 | 0 | 0 | 105.9 | T774 | V772-T774 PolarHBondContact O-N 3.31Š|
| 773 | E | 25.1 | Very low | 25.6 | Very low | 178 Ų | 178 | 143.2 Ų | 143.2 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 117.9 | -179.8 | -64.1 | -179.7 | 148.1 | 0 | 0 | 109.2 | I771 | I771-E773 HydrophobicContact CG2-CG 4.27Š|
| 774 | T | 27.1 | Very low | 25.4 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -97.5 | 114.5 | 178.7 | 40.9 | 0 | 0 | 0 | 0 | 110.2 | V772 | V772-T774 PolarHBondContact O-N 3.31Š| ||
| 775 | E | 25 | Very low | 25.4 | Very low | 189 Ų | 189 | 146.4 Ų | 146.4 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -67.5 | 144 | 176.3 | -65.9 | -167.8 | 136.8 | 0 | 0 | 111.7 | L777 | E775-L777 PolarHBondContact O-N 3.38Š| ||
| 776 | N | 25.7 | Very low | 25.2 | Very low | 155 Ų | 155 | 144.3 Ų | 144.3 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | -75.4 | 107 | -161 | -67.5 | -83.3 | 0 | 0 | 0 | 113.7 | T778 | N776-T778 PolarHBondContact O-N 2.76Š| ||
| 777 | L | 22.9 | Very low | 25 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -82.6 | 99.3 | 162.5 | -85.7 | 165.5 | 0 | 0 | 0 | 110.7 | E775 V779 | E775-L777 PolarHBondContact O-N 3.38Å; L777-V779 PolarHBondContact O-N 2.97Å; L777-V779 VanDerWaalsContact O-N 3.1Å | ||
| 778 | T | 24.2 | Very low | 24.8 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | trans | -71.7 | 99.6 | 179.7 | 51.5 | 0 | 0 | 0 | 0 | 112.2 | N776 V780 | N776-T778 PolarHBondContact O-N 2.76Å; T778-V780 PolarHBondContact O-N 2.94Å | ||
| 779 | V | 24.6 | Very low | 24.8 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | trans | -72.4 | 116.6 | 175.9 | 179 | 0 | 0 | 0 | 0 | 110.9 | L777 V781 | L777-V779 PolarHBondContact O-N 2.97Å; L777-V779 VanDerWaalsContact O-N 3.1Å; V779-V781 PolarHBondContact O-N 3.44Å | ||
| 780 | V | 23.7 | Very low | 24.7 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -74.7 | 110 | 173.2 | 178.5 | 0 | 0 | 0 | 0 | 109.6 | T778 A782 | T778-V780 PolarHBondContact O-N 2.94Å; V780-A782 PolarHBondContact O-N 3.37Å | ||
| 781 | V | 24.1 | Very low | 24.5 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -79.9 | 98.3 | -178.1 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | V779 | V779-V781 PolarHBondContact O-N 3.44Š| ||
| 782 | A | 24.8 | Very low | 24.3 | Very low | 97 Ų | 97 | 138.6 Ų | 138.6 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | -77.8 | 118.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | V780 | V780-A782 PolarHBondContact O-N 3.37Š| ||
| 783 | S | 24.5 | Very low | 24.2 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -86 | 139.4 | -177.8 | 56.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 784 | K | 25.4 | Very low | 24.2 | Very low | 139 Ų | 139 | 139 Ų | 139 | 60% | 0.604 | 79% | 0.792 | S | S | * | * | 28 | 138.8 | 124.4 | -71.6 | -172.7 | -177.6 | -178 | 0 | 119 | |||||
| 785 | D | 25.1 | Very low | 24 | Very low | 139 Ų | 139 | 138.9 Ų | 138.9 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | cis | -145.8 | 147.1 | 15.9 | -78.1 | -58.9 | 0 | 0 | 0 | 111.3 | ||||
| 786 | C | 21.3 | Very low | 23.9 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | -148.2 | 72.8 | 168.7 | -94.9 | 0 | 0 | 0 | 0 | 111 | M788 | C786-M788 PolarHBondContact O-N 3.21Š| ||
| 787 | A | 24.2 | Very low | 23.7 | Very low | 99 Ų | 99 | 136.9 Ų | 136.9 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -81.3 | 98.2 | 174 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 788 | M | 21.7 | Very low | 23.7 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | trans | -93.5 | 99 | 174.6 | -72 | -67.9 | -68.2 | 0 | 0 | 110.3 | C786 T790 | C786-M788 PolarHBondContact O-N 3.21Å; M788-T790 PolarHBondContact O-N 2.83Å | ||
| 789 | E | 24.6 | Very low | 23.7 | Very low | 186 Ų | 186 | 136.1 Ų | 136.1 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -67.8 | 117.8 | 170.1 | -64.1 | -171 | 147.9 | 0 | 0 | 109.6 | E791 | E789-E791 PolarHBondContact O-N 3.12Š| ||
| 790 | T | 25.5 | Very low | 23.7 | Very low | 120 Ų | 120 | 136 Ų | 136 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | -88.9 | 98.4 | -179.1 | 53.7 | 0 | 0 | 0 | 0 | 110.8 | M788 C792 | M788-T790 PolarHBondContact O-N 2.83Å; T790-C792 PolarHBondContact O-N 3.4Å | ||
| 791 | E | 24.1 | Very low | 23.8 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | -57.6 | 124.5 | 168.4 | -66.1 | -170.4 | 128.7 | 0 | 0 | 110.5 | E789 V793 | E789-E791 PolarHBondContact O-N 3.12Å; E791-V793 PolarHBondContact O-N 2.97Å | ||
| 792 | C | 22.7 | Very low | 23.7 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -77.4 | 92.1 | 179.4 | -65.3 | 0 | 0 | 0 | 0 | 110.9 | T790 Q794 | T790-C792 PolarHBondContact O-N 3.4Å; C792-Q794 PolarHBondContact O-N 2.98Å | ||
| 793 | V | 23 | Very low | 23.6 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | -60.8 | 103.3 | 170.3 | -179 | 0 | 0 | 0 | 0 | 109.7 | E791 V795 | E791-V793 PolarHBondContact O-N 2.97Å; V793-V795 PolarHBondContact O-N 3.23Å; V793-V795 VanDerWaalsContact O-N 3.13Å | ||
| 794 | Q | 23.7 | Very low | 23.7 | Very low | 184 Ų | 184 | 142.6 Ų | 142.6 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -72.9 | 101.2 | 171.6 | -75.9 | -169 | -56.3 | 0 | 0 | 109.9 | C792 Q796 | C792-Q794 PolarHBondContact O-N 2.98Å; Q794-Q796 PolarHBondContact O-N 3.2Å | ||
| 795 | V | 22.7 | Very low | 24 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | trans | -71.2 | 108.9 | 168.8 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | V793 C797 | V793-V795 PolarHBondContact O-N 3.23Å; V793-V795 VanDerWaalsContact O-N 3.13Å; V795-C797 PolarHBondContact O-N 2.74Å | ||
| 796 | Q | 23.1 | Very low | 24 | Very low | 187 Ų | 187 | 142 Ų | 142 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -69.8 | 110.9 | 170 | -75.1 | -176.1 | -43.4 | 0 | 0 | 109.5 | Q794 A798 | Q794-Q796 PolarHBondContact O-N 3.2Å; Q796-A798 PolarHBondContact O-N 2.75Å | ||
| 797 | C | 21.9 | Very low | 24.1 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -69 | 126.6 | 167.3 | -60.8 | 0 | 0 | 0 | 0 | 109 | V795 E799 | V795-C797 PolarHBondContact O-N 2.74Å; C797-E799 PolarHBondContact O-N 2.88Å | ||
| 798 | A | 23.8 | Very low | 24 | Very low | 95 Ų | 95 | 146.7 Ų | 146.7 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -70.4 | 116.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q796 V800 | Q796-A798 PolarHBondContact O-N 2.75Å; A798-V800 PolarHBondContact O-N 2.92Å | ||
| 799 | E | 24 | Very low | 23.9 | Very low | 181 Ų | 181 | 144.9 Ų | 144.9 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -70.6 | 115.8 | 175 | -65.2 | -179.7 | 141 | 0 | 0 | 109.6 | C797 N801 | C797-E799 PolarHBondContact O-N 2.88Å; E799-N801 PolarHBondContact O-N 3.44Å | ||
| 800 | V | 24.9 | Very low | 23.8 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 75% | 0.745 | 79% | 0.793 | S | S | * | * | trans | -85.5 | 102 | 177 | 179.2 | 0 | 0 | 0 | 0 | 108.3 | A798 T802 | A798-V800 PolarHBondContact O-N 2.92Å; V800-T802 PolarHBondContact O-N 2.92Å | ||
| 801 | N | 24.2 | Very low | 23.6 | Very low | 141 Ų | 141 | 144.5 Ų | 144.5 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | trans | -60.4 | 101.6 | -179.7 | -73.8 | -10.5 | 0 | 0 | 0 | 112.1 | E799 E803 | E799-N801 PolarHBondContact O-N 3.44Å; N801-E803 VanDerWaalsContact C-N 3.33Å; N801-E803 PolarHBondContact O-N 3.2Å | ||
| 802 | T | 23.4 | Very low | 23.4 | Very low | 135 Ų | 135 | 141.7 Ų | 141.7 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | trans | -89 | 63.3 | 174.4 | 56 | 0 | 0 | 0 | 0 | 111.8 | V800 | V800-T802 PolarHBondContact O-N 2.92Š| ||
| 803 | E | 23 | Very low | 23.4 | Very low | 178 Ų | 178 | 140.5 Ų | 140.5 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -108.3 | 89.1 | 173.7 | -70.2 | -164.6 | 153.3 | 0 | 0 | 111.8 | N801 | N801-E803 VanDerWaalsContact C-N 3.33Å; N801-E803 PolarHBondContact O-N 3.2Å | ||
| 804 | N | 24.8 | Very low | 23.3 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -161.3 | 123.2 | 144.6 | -127.1 | -13 | 0 | 0 | 0 | 111.4 | ||||
| 805 | P | 32 | Very low | 23.2 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | trans | -102.8 | 87.4 | -170.4 | 37.7 | -33.5 | 0 | 0 | 0 | 114.2 | ||||
| 806 | D | 25.5 | Very low | 23.2 | Very low | 152 Ų | 152 | 138.5 Ų | 138.5 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | -105.9 | 31.4 | 168 | -83.6 | -50 | 0 | 0 | 0 | 112.7 | S808 | D806-S808 VanDerWaalsContact C-N 3.27Å; D806-S808 PolarHBondContact O-N 3.38Å | ||
| 807 | Y | 23.6 | Very low | 23.2 | Very low | 220 Ų | 220 | 136.2 Ų | 136.2 | 86% | 0.863 | 78% | 0.778 | S | S | * | * | trans | -74.7 | 75.9 | 172.5 | -91.7 | -87.1 | 0 | 0 | 0 | 111.4 | C809 | Y807-C809 PolarHBondContact O-N 2.8Š| ||
| 808 | S | 22.8 | Very low | 23.2 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -64.3 | 102.7 | 167 | 60.8 | 0 | 0 | 0 | 0 | 109.5 | D806 V810 | D806-S808 VanDerWaalsContact C-N 3.27Å; D806-S808 PolarHBondContact O-N 3.38Å; S808-V810 PolarHBondContact O-N 3.42Å; S808-V810 VanDerWaalsContact O-N 3.14Å | ||
| 809 | C | 19.8 | Very low | 23.2 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 75% | 0.75 | 78% | 0.775 | S | S | * | * | trans | -67.7 | 109.7 | -176.9 | -66.5 | 0 | 0 | 0 | 0 | 110.6 | Y807 E811 | Y807-C809 PolarHBondContact O-N 2.8Å; C809-E811 PolarHBondContact O-N 2.88Å; C809-E811 VanDerWaalsContact O-N 3.16Å | ||
| 810 | V | 20.9 | Very low | 23.3 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -80.6 | 91.2 | 166 | -179 | 0 | 0 | 0 | 0 | 107.4 | S808 V812 | S808-V810 PolarHBondContact O-N 3.42Å; S808-V810 VanDerWaalsContact O-N 3.14Å; V810-V812 PolarHBondContact O-N 3.31Å | ||
| 811 | E | 20.9 | Very low | 23.3 | Very low | 171 Ų | 171 | 134.6 Ų | 134.6 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | -63.2 | 103.8 | 171.6 | -66 | -175.1 | 134.5 | 0 | 0 | 109.2 | C809 C813 | C809-E811 PolarHBondContact O-N 2.88Å; C809-E811 VanDerWaalsContact O-N 3.16Å; E811-C813 PolarHBondContact O-N 3.45Å | ||
| 812 | V | 21.8 | Very low | 23.5 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 75% | 0.745 | 77% | 0.767 | S | S | * | * | trans | -77.6 | 90.6 | 173.2 | -178.7 | 0 | 0 | 0 | 0 | 107.8 | V810 T814 | V810-V812 PolarHBondContact O-N 3.31Å; V812-T814 PolarHBondContact O-N 3.22Å; V812-T814 VanDerWaalsContact O-N 3.11Å | ||
| 813 | C | 21 | Very low | 23.7 | Very low | 93 Ų | 93 | 130.8 Ų | 130.8 | 63% | 0.628 | 77% | 0.768 | S | S | * | * | trans | -52.4 | 117.7 | 173.1 | -66 | 0 | 0 | 0 | 0 | 110 | E811 D815 | E811-C813 PolarHBondContact O-N 3.45Å; C813-D815 PolarHBondContact O-N 3.43Å | ||
| 814 | T | 21.1 | Very low | 24.2 | Very low | 130 Ų | 130 | 124.3 Ų | 124.3 | 80% | 0.798 | 74% | 0.743 | S | S | * | * | trans | -81.7 | 64.1 | 173.4 | 43.5 | 0 | 0 | 0 | 0 | 109.4 | V812 T816 | V812-T814 PolarHBondContact O-N 3.22Å; V812-T814 VanDerWaalsContact O-N 3.11Å; T814-T816 PolarHBondContact O-N 3.49Å; T814-T816 VanDerWaalsContact O-N 3.08Å | ||
| 815 | D | 23 | Very low | 24.9 | Very low | 134 Ų | 134 | 126 Ų | 126 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | trans | -58 | 115.8 | -179.6 | -80 | -8.2 | 0 | 0 | 0 | 110.1 | C813 V817 | C813-D815 PolarHBondContact O-N 3.43Å; D815-V817 VanDerWaalsContact C-N 3.33Å; D815-V817 PolarHBondContact O-N 3.39Å | ||
| 816 | T | 21.8 | Very low | 25.1 | Very low | 124 Ų | 124 | 125.7 Ų | 125.7 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | trans | -74.7 | 81.6 | -171.8 | 53 | 0 | 0 | 0 | 0 | 111.2 | T814 C818 | T814-T816 PolarHBondContact O-N 3.49Å; T814-T816 VanDerWaalsContact O-N 3.08Å; T816-C818 VanDerWaalsContact C-N 3.31Å; T816-C818 PolarHBondContact O-N 3.34Å; T816-C818 PolarHBondContact O-SG 3.42Å | ||
| 817 | V | 22.3 | Very low | 25.3 | Very low | 140 Ų | 140 | 123 Ų | 123 | 85% | 0.848 | 73% | 0.727 | S | S | * | * | trans | -68.9 | 92.7 | 168.1 | -177 | 0 | 0 | 0 | 0 | 108.3 | D815 | D815-V817 VanDerWaalsContact C-N 3.33Å; D815-V817 PolarHBondContact O-N 3.39Å | ||
| 818 | C | 23 | Very low | 25.6 | Very low | 102 Ų | 102 | 119.2 Ų | 119.2 | 69% | 0.689 | 72% | 0.715 | S | S | * | * | trans | -64.2 | 147 | -174 | -63.8 | 0 | 0 | 0 | 0 | 111.8 | T816 A820 | T816-C818 VanDerWaalsContact C-N 3.31Å; T816-C818 PolarHBondContact O-N 3.34Å; T816-C818 PolarHBondContact O-SG 3.42Å; C818-A820 PolarHBondContact O-N 3.33Å | ||
| 819 | V | 22.7 | Very low | 26.2 | Very low | 135 Ų | 135 | 117.2 Ų | 117.2 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | trans | -63.4 | 121.6 | 165.9 | 179 | 0 | 0 | 0 | 0 | 108 | ||||
| 820 | A | 26.3 | Very low | 26.8 | Very low | 91 Ų | 91 | 119.3 Ų | 119.3 | 75% | 0.752 | 70% | 0.702 | S | S | * | * | trans | -105.8 | 122.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | C818 A822 | C818-A820 PolarHBondContact O-N 3.33Å; A820-A822 PolarHBondContact O-N 2.85Å | ||
| 821 | D | 26.3 | Very low | 27.1 | Very low | 150 Ų | 150 | 119 Ų | 119 | 80% | 0.802 | 70% | 0.695 | S | S | * | * | trans | -68.7 | 117 | -173.2 | -65.4 | -67.2 | 0 | 0 | 0 | 112.9 | ||||
| 822 | A | 26.8 | Very low | 27.8 | Very low | 75 Ų | 75 | 118.3 Ų | 118.3 | 62% | 0.62 | 70% | 0.696 | S | S | * | * | trans | -106.1 | 77.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | A820 S824 | A820-A822 PolarHBondContact O-N 2.85Å; A822-S824 VanDerWaalsContact C-N 3.27Å; A822-S824 PolarHBondContact O-N 3.16Å | ||
| 823 | S | 27.9 | Very low | 28.5 | Very low | 121 Ų | 121 | 116.3 Ų | 116.3 | 85% | 0.846 | 69% | 0.693 | S | S | * | * | trans | -77.9 | 66.7 | -174.3 | 61.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 824 | S | 33.9 | Very low | 28.8 | Very low | 43 Ų | 43 | 114.6 Ų | 114.6 | 30% | 0.301 | 68% | 0.681 | S | S | . | * | trans | -156.1 | 118.3 | 176.1 | 170.8 | 0 | 0 | 0 | 0 | 110.4 | A822 V826 D827 | A822-S824 VanDerWaalsContact C-N 3.27Å; A822-S824 PolarHBondContact O-N 3.16Å; S824-V826 PolarHBondContact O-N 3.46Å; S824-V826 PolarHBondContact OG-N 3.3Å; S824-D827 WeakPolarHBondContact CB-OD2 3.4Å; S824-D827 PolarHBondContact OG-N 2.87Å; S824-D827 PolarHBondContact OG-OD2 2.99Å | ||
| 825 | E | 38.6 | Very low | 29.1 | Very low | 182 Ų | 182 | 112.1 Ų | 112.1 | 85% | 0.85 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -72.4 | -19.9 | 172.6 | -71.9 | -166.9 | 114.7 | 0 | 0 | 112.5 | A829 | E825-A829 PolarHBondContact O-N 3.33Å |
| 826 | V | 37.4 | Very low | 29.3 | Very low | 108 Ų | 108 | 115.1 Ų | 115.1 | 66% | 0.655 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -67 | -41.9 | -179.9 | -173.3 | 0 | 0 | 0 | 0 | 110.9 | S824 A829 F830 | S824-V826 PolarHBondContact O-N 3.46Å; S824-V826 PolarHBondContact OG-N 3.3Å; V826-A829 PolarHBondContact O-N 2.86Å; V826-F830 WeakPolarHBondContact O-CB 3.22Å; V826-F830 PolarHBondContact O-N 3.31Å |
| 827 | D | 30.2 | Very low | 29.3 | Very low | 96 Ų | 96 | 121.9 Ų | 121.9 | 51% | 0.513 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -74 | -32.7 | -175.6 | -63.5 | -70.6 | 0 | 0 | 0 | 112.7 | S824 F830 L831 | S824-D827 WeakPolarHBondContact CB-OD2 3.4Å; S824-D827 PolarHBondContact OG-N 2.87Å; S824-D827 PolarHBondContact OG-OD2 2.99Å; D827-F830 PolarHBondContact O-N 3.28Å; D827-L831 WeakPolarHBondContact O-CB 3.22Å; D827-L831 WeakPolarHBondContact O-CG 3.41Å; D827-L831 PolarHBondContact O-N 3.34Å |
| 828 | K | 29.4 | Very low | 29.5 | Very low | 141 Ų | 141 | 123.4 Ų | 123.4 | 61% | 0.613 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -67.4 | -38.1 | 171.1 | -73 | -179.7 | -179.5 | 172 | 0 | 111.7 | L832 | K828-L832 WeakPolarHBondContact O-CB 3.49Å; K828-L832 WeakPolarHBondContact O-CG 3.46Å; K828-L832 PolarHBondContact O-N 3.15Å; K828-L832 VanDerWaalsContact O-N 3.13Å |
| 829 | A | 35.8 | Very low | 29.6 | Very low | 64 Ų | 64 | 125.5 Ų | 125.5 | 53% | 0.529 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -65.8 | -39.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E825 V826 A833 | E825-A829 PolarHBondContact O-N 3.33Å; V826-A829 PolarHBondContact O-N 2.86Å; A829-A833 PolarHBondContact O-N 3.31Å; A829-A833 VanDerWaalsContact O-N 3.09Å |
| 830 | F | 31.2 | Very low | 29.7 | Very low | 155 Ų | 155 | 124.3 Ų | 124.3 | 68% | 0.68 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -69.2 | -42.2 | 179.5 | -158.3 | -94.8 | 0 | 0 | 0 | 112.7 | V826 D827 A833 S834 | V826-F830 WeakPolarHBondContact O-CB 3.22Å; V826-F830 PolarHBondContact O-N 3.31Å; D827-F830 PolarHBondContact O-N 3.28Å; F830-A833 WeakPolarHBondContact O-CB 3.39Å; F830-A833 PolarHBondContact O-N 2.93Å; F830-A833 VanDerWaalsContact O-N 3.13Å; F830-S834 PolarHBondContact O-N 2.91Å |
| 831 | L | 28.6 | Very low | 29.4 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 64% | 0.639 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -69.9 | -29.9 | 176.8 | -71.2 | 170.9 | 0 | 0 | 0 | 113.1 | D827 A833 S834 | D827-L831 WeakPolarHBondContact O-CB 3.22Å; D827-L831 WeakPolarHBondContact O-CG 3.41Å; D827-L831 PolarHBondContact O-N 3.34Å; L831-A833 VanDerWaalsContact C-N 3.32Å; L831-S834 PolarHBondContact O-N 3.08Å; L831-S834 PolarHBondContact O-OG 2.79Å |
| 832 | L | 34.8 | Very low | 29.2 | Very low | 156 Ų | 156 | 126.1 Ų | 126.1 | 82% | 0.817 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -75.2 | -18.7 | 170.2 | -73.3 | 170.9 | 0 | 0 | 0 | 113.3 | K828 | K828-L832 WeakPolarHBondContact O-CB 3.49Å; K828-L832 WeakPolarHBondContact O-CG 3.46Å; K828-L832 PolarHBondContact O-N 3.15Å; K828-L832 VanDerWaalsContact O-N 3.13Å |
| 833 | A | 36.3 | Very low | 28.9 | Very low | 81 Ų | 81 | 127 Ų | 127 | 67% | 0.669 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -79.4 | -24.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A829 F830 L831 G835 | A829-A833 PolarHBondContact O-N 3.31Å; A829-A833 VanDerWaalsContact O-N 3.09Å; F830-A833 WeakPolarHBondContact O-CB 3.39Å; F830-A833 PolarHBondContact O-N 2.93Å; F830-A833 VanDerWaalsContact O-N 3.13Å; L831-A833 VanDerWaalsContact C-N 3.32Å; A833-G835 PolarHBondContact O-N 3.11Å; A833-G835 VanDerWaalsContact O-N 3.12Å |
| 834 | S | 26.8 | Very low | 28.9 | Very low | 56 Ų | 56 | 128.1 Ų | 128.1 | 39% | 0.392 | 70% | 0.701 | S | S | . | * | trans | -79.6 | 89.2 | 173.9 | 50.8 | 0 | 0 | 0 | 0 | 111.9 | F830 L831 Y836 | F830-S834 PolarHBondContact O-N 2.91Å; L831-S834 PolarHBondContact O-N 3.08Å; L831-S834 PolarHBondContact O-OG 2.79Å; S834-Y836 PolarHBondContact O-N 3.35Å | ||
| 835 | G | 28.8 | Very low | 28.3 | Very low | 79 Ų | 79 | 134.9 Ų | 134.9 | 81% | 0.814 | 73% | 0.728 | S | S | * | * | trans | -67.5 | 36.1 | 177 | 0 | 0 | 0 | 0 | 0 | 116.2 | A833 | A833-G835 PolarHBondContact O-N 3.11Å; A833-G835 VanDerWaalsContact O-N 3.12Å | ||
| 836 | Y | 26 | Very low | 27.8 | Very low | 197 Ų | 197 | 131 Ų | 131 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | trans | -127.9 | 116.3 | 177 | -63.9 | -94.4 | 0 | 0 | 0 | 109.5 | S834 | S834-Y836 PolarHBondContact O-N 3.35Š| ||
| 837 | W | 23 | Very low | 27.6 | Very low | 265 Ų | 265 | 131.2 Ų | 131.2 | 100% | 1.004 | 73% | 0.731 | S | S | * | * | -157.5 | 105.7 | 126.6 | -92.8 | 98.1 | 0 | 0 | 0 | 106.4 | |||||
| 838 | K | 25.7 | Very low | 27.3 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | -125.9 | 135.8 | -177.2 | -156.5 | -173.5 | -178.9 | 179.6 | 0 | 107.7 | ||||
| 839 | H | 26 | Very low | 26.9 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 68% | 0.676 | 76% | 0.759 | S | S | * | * | trans | 67.4 | 75.7 | -179 | -49.2 | -82 | 0 | 0 | 0 | 116.1 | N841 | H839-N841 PolarHBondContact O-N 3.3Š| ||
| 840 | A | 23.1 | Very low | 26.5 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | -71.5 | 105.3 | 136.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 841 | N | 21.6 | Very low | 26.1 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | -85 | 136.9 | -167.9 | -158.8 | 30.1 | 0 | 0 | 0 | 111.4 | H839 S843 | H839-N841 PolarHBondContact O-N 3.3Å; N841-S843 PolarHBondContact O-N 3.05Å | ||
| 842 | V | 20.9 | Very low | 25.8 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -71.7 | 115.5 | 174.3 | 175.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 843 | S | 21.5 | Very low | 25.3 | Very low | 94 Ų | 94 | 136.7 Ų | 136.7 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | trans | -158.9 | 97.5 | 168.8 | -169.6 | 0 | 0 | 0 | 0 | 113.2 | N841 | N841-S843 PolarHBondContact O-N 3.05Š| ||
| 844 | T | 26.3 | Very low | 24.6 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -145.9 | 114.4 | 140.4 | 43.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 845 | E | 22.3 | Very low | 24.5 | Very low | 185 Ų | 185 | 148 Ų | 148 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -86.1 | 144.5 | -176.9 | -52.2 | 174.2 | 126.7 | 0 | 0 | 111.5 | ||||
| 846 | A | 28 | Very low | 24.1 | Very low | 100 Ų | 100 | 149.8 Ų | 149.8 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | 179.6 | 123.9 | 136.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 847 | P | 34.3 | Very low | 24 | Very low | 114 Ų | 114 | 147.1 Ų | 147.1 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | trans | -103.8 | 141 | 174.8 | 36.1 | -29.8 | 0 | 0 | 0 | 112.9 | ||||
| 848 | L | 23.1 | Very low | 24.7 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | trans | -123 | 99.6 | 157.4 | -79.6 | 177.6 | 0 | 0 | 0 | 110.6 | ||||
| 849 | K | 21.8 | Very low | 24.4 | Very low | 183 Ų | 183 | 138 Ų | 138 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | trans | -72.8 | 130.3 | 164.3 | -63.2 | 174.3 | 179.4 | 176.6 | 0 | 108.5 | ||||
| 850 | N | 27.2 | Very low | 24.2 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | -142.2 | 60.6 | 157.1 | -101.7 | -22.1 | 0 | 0 | 0 | 110.3 | I852 | N850-I852 PolarHBondContact O-N 2.86Š| ||
| 851 | S | 21.1 | Very low | 24.4 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -78.2 | 97.9 | 167.5 | 54.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 852 | I | 23.9 | Very low | 24.4 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -98 | 120.6 | 162.9 | -62.9 | -179.6 | 0 | 0 | 0 | 106.5 | N850 | N850-I852 PolarHBondContact O-N 2.86Š| ||
| 853 | G | 23.2 | Very low | 24.5 | Very low | 68 Ų | 68 | 141.5 Ų | 141.5 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | -87.2 | 145 | -158.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 854 | F | 23.1 | Very low | 24.6 | Very low | 209 Ų | 209 | 145.3 Ų | 145.3 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | trans | -86 | 106.1 | 157.1 | -74.3 | -87 | 0 | 0 | 0 | 108.7 | T856 | F854-T856 PolarHBondContact O-N 3.03Š| ||
| 855 | N | 23.3 | Very low | 24.4 | Very low | 164 Ų | 164 | 143.9 Ų | 143.9 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -73.4 | 112.4 | 164.1 | -85.8 | -9 | 0 | 0 | 0 | 108.6 | ||||
| 856 | T | 21 | Very low | 24.4 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | trans | -61.5 | 124.6 | 145.2 | 52.1 | 0 | 0 | 0 | 0 | 106.4 | F854 | F854-T856 PolarHBondContact O-N 3.03Š| ||
| 857 | D | 23.4 | Very low | 24.1 | Very low | 142 Ų | 142 | 144.2 Ų | 144.2 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | -179.2 | 169.9 | 83 | -90.4 | -30 | 0 | 0 | 0 | 110 | |||||
| 858 | P | 37.5 | Very low | 23.5 | Very low | 111 Ų | 111 | 147.2 Ų | 147.2 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | cis | -129.2 | 155.8 | -19.3 | 32.7 | -16.1 | 0 | 0 | 0 | 113.3 | K860 | P858-K860 PolarHBondContact O-N 3.22Š| ||
| 859 | C | 20.6 | Very low | 23.5 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 91% | 0.905 | 79% | 0.793 | S | S | * | * | trans | -76.4 | 112.3 | 169.3 | -68.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 860 | K | 21.3 | Very low | 23.6 | Very low | 197 Ų | 197 | 143.4 Ų | 143.4 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | -148.4 | 84.8 | 157.6 | -77.1 | -149.5 | 174.6 | -159.8 | 0 | 112.7 | P858 | P858-K860 PolarHBondContact O-N 3.22Š| ||
| 861 | T | 27.4 | Very low | 23.4 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 90% | 0.896 | 79% | 0.793 | S | S | * | * | trans | -135.1 | 74.1 | 161 | 51 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 862 | L | 21.7 | Very low | 23.6 | Very low | 137 Ų | 137 | 142 Ų | 142 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | trans | -76.8 | 135.8 | 147.9 | -79.1 | 161.2 | 0 | 0 | 0 | 105.1 | ||||
| 863 | D | 23.3 | Very low | 23.6 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 68% | 0.684 | 79% | 0.791 | S | S | * | * | -170.3 | 174.7 | 59.6 | -92.5 | -50.2 | 0 | 0 | 0 | 111.6 | |||||
| 864 | E | 23.5 | Very low | 23.8 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | 75.3 | 102.6 | 155.3 | -76.2 | 179.8 | -173.8 | 0 | 0 | 122.1 | ||||
| 865 | V | 22.2 | Very low | 23.8 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 70% | 0.697 | 79% | 0.787 | S | S | * | * | 105.1 | 134.2 | 109.7 | 161.8 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 866 | E | 22.6 | Very low | 23.8 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | 64.6 | 120.3 | 161 | -83.4 | 157.9 | -152 | 0 | 0 | 122.2 | ||||
| 867 | T | 21 | Very low | 24 | Very low | 133 Ų | 133 | 140 Ų | 140 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | -65.1 | 123.5 | 163.5 | 46.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 868 | M | 22.4 | Very low | 23.9 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -93.3 | 127.2 | 162.8 | -83.3 | -166.7 | -75.9 | 0 | 0 | 110.8 | C870 | M868-C870 PolarHBondContact O-N 3.41Š| ||
| 869 | D | 22.7 | Very low | 23.2 | Very low | 146 Ų | 146 | 144 Ų | 144 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | trans | -66.5 | 112.2 | 176 | -65.3 | -61.8 | 0 | 0 | 0 | 111.1 | S871 | D869-S871 PolarHBondContact O-N 2.89Š| ||
| 870 | C | 24.2 | Very low | 23.3 | Very low | 134 Ų | 134 | 145.9 Ų | 145.9 | 91% | 0.905 | 80% | 0.797 | S | S | * | * | trans | -76 | 62 | 174.4 | -71.8 | 0 | 0 | 0 | 0 | 111.8 | M868 | M868-C870 PolarHBondContact O-N 3.41Š| ||
| 871 | S | 23 | Very low | 23.6 | Very low | 102 Ų | 102 | 144.3 Ų | 144.3 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | trans | -93.7 | 98.8 | 169.3 | 61.2 | 0 | 0 | 0 | 0 | 110.3 | D869 | D869-S871 PolarHBondContact O-N 2.89Š| ||
| 872 | T | 25.4 | Very low | 23.6 | Very low | 136 Ų | 136 | 145 Ų | 145 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | -153.1 | 126.7 | 160.2 | -3.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 873 | S | 22.5 | Very low | 24.5 | Very low | 98 Ų | 98 | 144.5 Ų | 144.5 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | trans | -65.1 | 145.3 | 176.5 | 47.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 874 | T | 27.3 | Very low | 24.6 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | trans | -121.8 | 127.5 | 151.5 | 39 | 0 | 0 | 0 | 0 | 108.4 | C876 | T874-C876 PolarHBondContact O-N 2.93Š| ||
| 875 | D | 23.6 | Very low | 25.6 | Very low | 131 Ų | 131 | 139.3 Ų | 139.3 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | trans | -74.2 | 112.7 | -164 | -57.8 | -89 | 0 | 0 | 0 | 113.4 | Q877 | D875-Q877 HydrophobicContact CB-CG 4.16Å; D875-Q877 PolarHBondContact O-N 3.44Å | ||
| 876 | C | 22.9 | Very low | 25.8 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 88% | 0.878 | 81% | 0.806 | S | S | * | * | trans | -89.8 | 82.6 | 159.5 | -70.5 | 0 | 0 | 0 | 0 | 109 | T874 | T874-C876 PolarHBondContact O-N 2.93Š| ||
| 877 | Q | 24.9 | Very low | 25.7 | Very low | 176 Ų | 176 | 136.8 Ų | 136.8 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -61.5 | 135 | -177.5 | -68.2 | -175.3 | -13.2 | 0 | 0 | 112.1 | D875 | D875-Q877 HydrophobicContact CB-CG 4.16Å; D875-Q877 PolarHBondContact O-N 3.44Å | ||
| 878 | A | 21.5 | Very low | 25.8 | Very low | 91 Ų | 91 | 137.8 Ų | 137.8 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -63.6 | 145.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 879 | R | 23.3 | Very low | 25.8 | Very low | 244 Ų | 244 | 135.5 Ų | 135.5 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -121.9 | 97.9 | 158.9 | -88.6 | -172.3 | 165.5 | -174 | -3.7 | 109.6 | ||||
| 880 | E | 22 | Very low | 25.9 | Very low | 174 Ų | 174 | 137.1 Ų | 137.1 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -64.1 | 141.5 | 171.1 | -55.1 | 174.2 | 129.8 | 0 | 0 | 110.6 | ||||
| 881 | N | 28.8 | Very low | 26 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | trans | -160.2 | 99.3 | 155.5 | -94.2 | -48.3 | 0 | 0 | 0 | 110.3 | ||||
| 882 | L | 27 | Very low | 26.1 | Very low | 161 Ų | 161 | 137.7 Ų | 137.7 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -80.3 | -179.2 | 164.6 | -82.1 | 154 | 0 | 0 | 0 | 110.2 | ||||
| 883 | P | 40.3 | Very low | 26.1 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | cis | -132.1 | -174.6 | -20.5 | 32.5 | -13 | 0 | 0 | 0 | 113 | ||||
| 884 | G | 26.5 | Very low | 26.2 | Very low | 73 Ų | 73 | 136.7 Ų | 136.7 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | 156.4 | 129.4 | 153.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 885 | P | 43.1 | Very low | 26.3 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -126.4 | 151.7 | -167.5 | 41.1 | -28.6 | 0 | 0 | 0 | 117.8 | ||||
| 886 | S | 25.9 | Very low | 26.5 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -167.5 | 115 | 143.4 | 54.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 887 | C | 21.1 | Very low | 26.5 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | 76.6 | 93.6 | 50.7 | -60.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 888 | L | 22.7 | Very low | 26.5 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | 158.9 | 150.9 | 101.1 | -90.2 | 158.3 | 0 | 0 | 0 | 115.7 | |||||
| 889 | L | 24 | Very low | 26.7 | Very low | 129 Ų | 129 | 140.2 Ų | 140.2 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | trans | 57.9 | 108.6 | 153.3 | -61.7 | 163 | 0 | 0 | 0 | 118.3 | ||||
| 890 | Q | 23.2 | Very low | 26.8 | Very low | 180 Ų | 180 | 137.4 Ų | 137.4 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | 69.3 | 106.4 | 72.5 | -72.4 | -171 | -18.6 | 0 | 0 | 115.9 | |||||
| 891 | S | 27.6 | Very low | 27 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | trans | -155.6 | 140.6 | 137.5 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 892 | T | 25.3 | Very low | 26.7 | Very low | 124 Ų | 124 | 134 Ų | 134 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | trans | -126.4 | 174 | -169.8 | 53.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 893 | A | 25.1 | Very low | 26.7 | Very low | 82 Ų | 82 | 134.7 Ų | 134.7 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | 73.9 | 125.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 894 | I | 24.9 | Very low | 25.9 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 67% | 0.672 | 77% | 0.774 | S | S | * | * | cis | 67.1 | 103.5 | 30.2 | -47 | 178.7 | 0 | 0 | 0 | 113.3 | ||||
| 895 | Q | 29.3 | Very low | 25.8 | Very low | 184 Ų | 184 | 135.5 Ų | 135.5 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -138 | 138.9 | 146.1 | -141.8 | 168 | -0.5 | 0 | 0 | 110.2 | ||||
| 896 | T | 26.1 | Very low | 24.8 | Very low | 116 Ų | 116 | 134 Ų | 134 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | trans | -53.2 | 136.2 | -173.5 | 42.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 897 | C | 24.7 | Very low | 24.7 | Very low | 130 Ų | 130 | 135 Ų | 135 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | trans | -121.3 | 96.8 | 163.4 | -71.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 898 | T | 24.1 | Very low | 24.9 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | -141.3 | 83.7 | 178.5 | 46.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 899 | E | 25 | Very low | 24.9 | Very low | 187 Ų | 187 | 138.5 Ų | 138.5 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -177 | 110.5 | 155.3 | -110.7 | 170.1 | -154.2 | 0 | 0 | 108.9 | ||||
| 900 | F | 26.8 | Very low | 24.9 | Very low | 184 Ų | 184 | 137.7 Ų | 137.7 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | trans | -163.4 | 98.2 | 157 | -117.7 | -68 | 0 | 0 | 0 | 110 | ||||
| 901 | V | 25.2 | Very low | 25 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | -88 | 152.9 | 164.6 | 170.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 902 | D | 23.6 | Very low | 24.9 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | trans | 47.3 | 96.4 | 169.4 | -62.9 | -16.1 | 0 | 0 | 0 | 118.9 | ||||
| 903 | K | 26.2 | Very low | 24.8 | Very low | 175 Ų | 175 | 135 Ų | 135 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | trans | -117.9 | 103.1 | 140.8 | -74.6 | -175.3 | 179.3 | 174 | 0 | 109.6 | ||||
| 904 | S | 24.4 | Very low | 24.7 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | -56.3 | 138.7 | 166.4 | 49.2 | 0 | 0 | 0 | 0 | 110.3 | S906 | S904-S906 VanDerWaalsContact C-N 3.26Å; S904-S906 PolarHBondContact O-N 3Å | ||
| 905 | C | 22.9 | Very low | 24.7 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | -72.7 | 71 | -170.9 | -70 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 906 | S | 23.3 | Very low | 24.6 | Very low | 88 Ų | 88 | 131.7 Ų | 131.7 | 62% | 0.615 | 78% | 0.777 | S | S | * | * | trans | -75.6 | 123.7 | 162.4 | 43.4 | 0 | 0 | 0 | 0 | 109.7 | S904 N908 | S904-S906 VanDerWaalsContact C-N 3.26Å; S904-S906 PolarHBondContact O-N 3Å; S906-N908 VanDerWaalsContact C-N 3.32Å; S906-N908 PolarHBondContact O-N 3.49Å | ||
| 907 | T | 23.8 | Very low | 24.6 | Very low | 134 Ų | 134 | 132 Ų | 132 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -80.7 | 67.6 | -164.7 | 36.1 | 0 | 0 | 0 | 0 | 113.5 | F909 | T907-F909 PolarHBondContact O-N 3.42Š| ||
| 908 | N | 25 | Very low | 24.7 | Very low | 143 Ų | 143 | 132.2 Ų | 132.2 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | -64.4 | 103.8 | 177.2 | -83.4 | -28.6 | 0 | 0 | 0 | 112.5 | S906 V910 | S906-N908 VanDerWaalsContact C-N 3.32Å; S906-N908 PolarHBondContact O-N 3.49Å; N908-V910 PolarHBondContact O-N 3.34Å; N908-V910 VanDerWaalsContact O-N 3.12Å | ||
| 909 | F | 23.1 | Very low | 24.7 | Very low | 193 Ų | 193 | 131.2 Ų | 131.2 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | trans | -75.9 | 91.7 | -179 | -132.1 | -99 | 0 | 0 | 0 | 110.4 | T907 A911 | T907-F909 PolarHBondContact O-N 3.42Å; F909-A911 PolarHBondContact O-N 3.42Å | ||
| 910 | V | 23.4 | Very low | 24.7 | Very low | 112 Ų | 112 | 131 Ų | 131 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | trans | -71.1 | 95.4 | 176.3 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | N908 | N908-V910 PolarHBondContact O-N 3.34Å; N908-V910 VanDerWaalsContact O-N 3.12Å | ||
| 911 | A | 25.1 | Very low | 25 | Very low | 84 Ų | 84 | 130 Ų | 130 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | trans | -86.6 | 102.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | F909 S913 | F909-A911 PolarHBondContact O-N 3.42Å; A911-S913 PolarHBondContact O-N 3.22Å; A911-S913 VanDerWaalsContact O-N 3.14Å | ||
| 912 | H | 25.3 | Very low | 25 | Very low | 170 Ų | 170 | 130.8 Ų | 130.8 | 79% | 0.787 | 76% | 0.763 | S | S | * | * | trans | -66.3 | 110.4 | 172.7 | -76 | -88.9 | 0 | 0 | 0 | 110.7 | C914 | H912-C914 PolarHBondContact O-N 2.91Š| ||
| 913 | S | 23.7 | Very low | 25.1 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -77.3 | 110.9 | 164.3 | 39.6 | 0 | 0 | 0 | 0 | 109.6 | A911 | A911-S913 PolarHBondContact O-N 3.22Å; A911-S913 VanDerWaalsContact O-N 3.14Å | ||
| 914 | C | 22.8 | Very low | 25.4 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | -69.5 | 139.8 | 168 | -71.7 | 0 | 0 | 0 | 0 | 110.2 | H912 | H912-C914 PolarHBondContact O-N 2.91Š| ||
| 915 | S | 25.7 | Very low | 25.5 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 90% | 0.902 | 76% | 0.757 | S | S | * | * | trans | -74.7 | 140.9 | -174.7 | 41.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 916 | G | 26.2 | Very low | 25.8 | Very low | 74 Ų | 74 | 131.2 Ų | 131.2 | 76% | 0.763 | 76% | 0.76 | S | S | * | * | trans | -133.5 | 118.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 917 | T | 25.5 | Very low | 25.9 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | trans | -44.3 | 149.1 | 177.5 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 918 | D | 27.2 | Very low | 25.9 | Very low | 133 Ų | 133 | 132 Ų | 132 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | -157.7 | 151.6 | 56 | -100.8 | -57.5 | 0 | 0 | 0 | 117.6 | |||||
| 919 | T | 23.8 | Very low | 25.9 | Very low | 101 Ų | 101 | 131.1 Ų | 131.1 | 62% | 0.62 | 76% | 0.764 | S | S | * | * | trans | 20.1 | 123.5 | 155.6 | 61.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 920 | K | 24.8 | Very low | 26 | Very low | 182 Ų | 182 | 127.3 Ų | 127.3 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | 59.5 | 111.8 | 128.5 | -59 | 171.9 | -177.3 | 174.1 | 0 | 119.1 | |||||
| 921 | D | 33.4 | Very low | 26 | Very low | 163 Ų | 163 | 129.1 Ų | 129.1 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | -149.3 | 158.8 | 123.9 | -124.6 | -28.9 | 0 | 0 | 0 | 113.1 | |||||
| 922 | L | 26.1 | Very low | 26 | Very low | 137 Ų | 137 | 130 Ų | 130 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | trans | -95.8 | 131.4 | -155.8 | -92.3 | 64.7 | 0 | 0 | 0 | 117.1 | ||||
| 923 | I | 24.8 | Very low | 26 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 58% | 0.579 | 76% | 0.757 | S | S | * | * | 22.3 | 109.5 | 125.8 | -49.7 | 170.9 | 0 | 0 | 0 | 118.6 | K925 | I923-K925 HydrophobicContact CG2-CD 4.21Å; I923-K925 HydrophobicContact CG2-CG 4.03Å | |||
| 924 | T | 33.7 | Very low | 25.9 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 84% | 0.84 | 75% | 0.748 | S | S | * | * | trans | -147.2 | 97.2 | 141.6 | 52.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 925 | K | 25.2 | Very low | 25.9 | Very low | 167 Ų | 167 | 131.3 Ų | 131.3 | 73% | 0.726 | 74% | 0.738 | S | S | * | * | 44.8 | 103.7 | 76.6 | -79.6 | -173.2 | 176.2 | 175.3 | 0 | 115.7 | I923 | I923-K925 HydrophobicContact CG2-CD 4.21Å; I923-K925 HydrophobicContact CG2-CG 4.03Å | |||
| 926 | T | 30 | Very low | 25.9 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 80% | 0.798 | 73% | 0.73 | S | S | * | * | trans | 163.3 | 115.8 | 132.3 | 38.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 927 | N | 25.1 | Very low | 25.9 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 81% | 0.807 | 73% | 0.733 | S | S | * | * | 97.3 | 92.9 | 66.4 | -78.8 | 11.4 | 0 | 0 | 0 | 114.1 | |||||
| 928 | A | 23.6 | Very low | 26.1 | Very low | 87 Ų | 87 | 136 Ų | 136 | 72% | 0.719 | 73% | 0.733 | S | S | * | * | 72.3 | 157.6 | 124.8 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 929 | T | 25.5 | Very low | 25.9 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 77% | 0.767 | 74% | 0.738 | S | S | * | * | trans | 62.9 | 96.9 | 158.8 | 44.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 930 | T | 24 | Very low | 26.3 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 69% | 0.693 | 75% | 0.75 | S | S | * | * | 27.1 | 121.1 | 115.4 | 57.3 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 931 | N | 25.1 | Very low | 26.3 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | -166.1 | 159.4 | 105.9 | -97.2 | -10.2 | 0 | 0 | 0 | 115.3 | |||||
| 932 | T | 24.4 | Very low | 26.1 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 64% | 0.638 | 75% | 0.746 | S | S | * | * | trans | -30.5 | 171.4 | 174.7 | 53.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 933 | E | 24.4 | Very low | 26.1 | Very low | 155 Ų | 155 | 136 Ų | 136 | 72% | 0.724 | 75% | 0.745 | S | S | * | * | trans | 87.2 | 95.6 | 150.3 | -79.4 | 151.1 | -113.4 | 0 | 0 | 121.2 | ||||
| 934 | E | 22.4 | Very low | 26.1 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 64% | 0.64 | 75% | 0.753 | S | S | * | * | 82.2 | 143.1 | 115 | -80.1 | -157 | 124.2 | 0 | 0 | 124.1 | |||||
| 935 | K | 23.6 | Very low | 26.1 | Very low | 146 Ų | 146 | 138 Ų | 138 | 64% | 0.635 | 76% | 0.757 | S | S | * | * | trans | 77.5 | 113.8 | 142.9 | -77.6 | 164 | -177.7 | 143.7 | 0 | 121.4 | ||||
| 936 | Q | 25.5 | Very low | 26.1 | Very low | 158 Ų | 158 | 135.4 Ų | 135.4 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | 79.5 | 91.1 | 129.1 | -66.1 | 179.5 | 0.4 | 0 | 0 | 120.2 | S938 | Q936-S938 PolarHBondContact O-N 2.96Š| |||
| 937 | I | 24.8 | Very low | 25.8 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 82% | 0.815 | 76% | 0.756 | S | S | * | * | 34.7 | 89.7 | 112.6 | -49.4 | 170.1 | 0 | 0 | 0 | 115.4 | |||||
| 938 | S | 30.4 | Very low | 26.1 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -97.5 | 114.5 | 159.4 | 57.3 | 0 | 0 | 0 | 0 | 110.5 | Q936 | Q936-S938 PolarHBondContact O-N 2.96Š| ||
| 939 | K | 24.2 | Very low | 26.2 | Very low | 189 Ų | 189 | 138 Ų | 138 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | -68.9 | 137.4 | 176 | -61.2 | 167.6 | -177.2 | 170.1 | 0 | 110.4 | ||||
| 940 | I | 30.9 | Very low | 26.2 | Very low | 169 Ų | 169 | 140 Ų | 140 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | trans | -116.2 | 117.1 | 162.9 | -60.8 | -178.4 | 0 | 0 | 0 | 108.4 | ||||
| 941 | S | 25.5 | Very low | 26.2 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | -146 | 111.8 | 178 | 58.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 942 | I | 28.3 | Very low | 26.6 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 89% | 0.892 | 77% | 0.772 | S | S | * | * | trans | -178.5 | 144.1 | 172.8 | -98.4 | 144.8 | 0 | 0 | 0 | 105.9 | ||||
| 943 | A | 26.6 | Very low | 26.5 | Very low | 86 Ų | 86 | 140.5 Ų | 140.5 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | cis | -159.1 | 169.4 | -25.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 944 | T | 24.4 | Very low | 26.7 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | -60.5 | 147.8 | 176.9 | 48.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 945 | N | 34.5 | Very low | 26.7 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 91% | 0.914 | 79% | 0.788 | S | S | * | * | trans | -146.2 | 150.3 | 145.5 | -104.2 | -35.3 | 0 | 0 | 0 | 110.7 | ||||
| 946 | T | 25.2 | Very low | 26.6 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 69% | 0.693 | 79% | 0.792 | S | S | * | * | trans | -146.6 | 160.1 | -158.7 | -23.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 947 | I | 22.4 | Very low | 26.6 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | 72.6 | 114.1 | 162.7 | -54.7 | 153.4 | 0 | 0 | 0 | 116.9 | ||||
| 948 | S | 32.6 | Very low | 26.4 | Very low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | -164.5 | 119.4 | 124.5 | 61.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 949 | N | 25.6 | Very low | 26.3 | Very low | 153 Ų | 153 | 135.5 Ų | 135.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -83.9 | 158.6 | 164.1 | -68.1 | -50.5 | 0 | 0 | 0 | 110 | ||||
| 950 | I | 26 | Very low | 26.4 | Very low | 167 Ų | 167 | 132.3 Ų | 132.3 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | 169.1 | 153.6 | 121 | -87 | 159.4 | 0 | 0 | 0 | 111.9 | |||||
| 951 | T | 23.8 | Very low | 26.2 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | trans | -78 | 152.8 | -171.9 | 52.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 952 | T | 33.5 | Very low | 26.2 | Very low | 147 Ų | 147 | 133.7 Ų | 133.7 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -133 | 164.6 | 144.8 | 49.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 953 | S | 22 | Very low | 26 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -145.4 | -179.5 | -164.5 | 62.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 954 | K | 28.7 | Very low | 26 | Very low | 196 Ų | 196 | 135.7 Ų | 135.7 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | trans | 89 | 153.9 | 178.1 | -56.2 | 171.9 | -179.3 | 178.4 | 0 | 115.7 | ||||
| 955 | S | 22.5 | Very low | 26.1 | Very low | 109 Ų | 109 | 135.7 Ų | 135.7 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | cis | -166.2 | 158.7 | -28 | 51.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 956 | V | 22.3 | Very low | 25.8 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -56.2 | 143.9 | -178.7 | 175.8 | 0 | 0 | 0 | 0 | 115 | V958 | V956-V958 HydrophobicContact CG1-CG2 3.78Š| ||
| 957 | C | 24.6 | Very low | 25.8 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | trans | -130.2 | 148.3 | 146.8 | -72.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 958 | V | 21.8 | Very low | 26 | Very low | 126 Ų | 126 | 133 Ų | 133 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | -126.1 | 144.8 | -179.7 | 172.9 | 0 | 0 | 0 | 0 | 109 | V956 T960 | V956-V958 HydrophobicContact CG1-CG2 3.78Å; V958-T960 HydrophobicContact CG1-CG2 4.14Å | ||
| 959 | G | 27.9 | Very low | 25.7 | Very low | 76 Ų | 76 | 132.5 Ų | 132.5 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | -137.7 | 138.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 960 | T | 26.2 | Very low | 25.8 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -140.1 | 131.5 | -170.7 | 50.3 | 0 | 0 | 0 | 0 | 111.8 | V958 | V958-T960 HydrophobicContact CG1-CG2 4.14Š| ||
| 961 | C | 27.1 | Very low | 25.6 | Very low | 132 Ų | 132 | 139 Ų | 139 | 89% | 0.892 | 79% | 0.788 | S | S | * | * | trans | -172.9 | 117.1 | 158.3 | -93.8 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 962 | H | 23.9 | Very low | 25.6 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | cis | 91.2 | 131.3 | 34.7 | -122.2 | -89.1 | 0 | 0 | 0 | 114.9 | ||||
| 963 | E | 24.8 | Very low | 25.1 | Very low | 151 Ų | 151 | 142.7 Ų | 142.7 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | 86 | 97.2 | 159.7 | -48.2 | -161.7 | 166.6 | 0 | 0 | 122.1 | ||||
| 964 | D | 26.4 | Very low | 25.2 | Very low | 151 Ų | 151 | 142.2 Ų | 142.2 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | 95.9 | 154.9 | 110.5 | -72.6 | 17.8 | 0 | 0 | 0 | 124.2 | |||||
| 965 | T | 27.4 | Very low | 25.1 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | -100.2 | 165.7 | -165.9 | 65.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 966 | P | 28.2 | Very low | 25.1 | Very low | 126 Ų | 126 | 143 Ų | 143 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | -137.2 | 152.8 | 109.6 | 37.2 | -28.3 | 0 | 0 | 0 | 114.7 | |||||
| 967 | V | 24.1 | Very low | 25.2 | Very low | 126 Ų | 126 | 144.7 Ų | 144.7 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | -97.7 | 133.5 | 165.2 | 175.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 968 | D | 27.8 | Very low | 25.1 | Very low | 135 Ų | 135 | 145 Ų | 145 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | -131.1 | 146 | 157.4 | -160.8 | -8.4 | 0 | 0 | 0 | 109.7 | ||||
| 969 | S | 24.7 | Very low | 25.3 | Very low | 100 Ų | 100 | 146.2 Ų | 146.2 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | -146 | 97.3 | -165.9 | 62.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 970 | R | 28.6 | Very low | 25.1 | Very low | 222 Ų | 222 | 153.5 Ų | 153.5 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -129.1 | 110.2 | 177.6 | -66 | -168.6 | 179.8 | -145.5 | -3.1 | 112.8 | ||||
| 971 | R | 21.2 | Very low | 25.1 | Very low | 234 Ų | 234 | 153.5 Ų | 153.5 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -61 | 140.8 | 157 | -63.2 | 168.5 | 165.3 | -177.2 | -6.5 | 109 | ||||
| 972 | R | 23.7 | Very low | 25 | Very low | 222 Ų | 222 | 153.1 Ų | 153.1 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | 168.5 | 153.5 | 105.8 | -91.2 | -180 | -164.2 | -162.6 | 5.2 | 113 | |||||
| 973 | T | 24.1 | Very low | 25 | Very low | 129 Ų | 129 | 153.7 Ų | 153.7 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | 46.7 | 110.4 | 150.4 | 52.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 974 | A | 22.9 | Very low | 25 | Very low | 93 Ų | 93 | 154 Ų | 154 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -27.7 | 145 | 149.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 975 | E | 26 | Very low | 25 | Very low | 196 Ų | 196 | 154.6 Ų | 154.6 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | -144.6 | 152.3 | 128 | -121.9 | 159.2 | -141.9 | 0 | 0 | 109.3 | |||||
| 976 | T | 22.8 | Very low | 24.8 | Very low | 126 Ų | 126 | 153 Ų | 153 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -93.4 | 125 | -177.1 | 48 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 977 | N | 24.9 | Very low | 24.8 | Very low | 156 Ų | 156 | 152.4 Ų | 152.4 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | trans | -135.2 | 116.1 | 153.3 | -92 | -33 | 0 | 0 | 0 | 109.7 | D979 | N977-D979 PolarHBondContact O-N 3.21Š| ||
| 978 | T | 22.6 | Very low | 24.9 | Very low | 138 Ų | 138 | 150 Ų | 150 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | trans | -93 | 81.8 | 174 | 48.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 979 | D | 26 | Very low | 24.8 | Very low | 150 Ų | 150 | 149.1 Ų | 149.1 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | -101.1 | 134.2 | 160 | -82 | -55.4 | 0 | 0 | 0 | 109.3 | N977 P981 | N977-D979 PolarHBondContact O-N 3.21Å; D979-P981 WeakPolarHBondContact O-CD 3.34Å | ||
| 980 | R | 24.5 | Very low | 25.1 | Very low | 230 Ų | 230 | 150 Ų | 150 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | trans | -115.7 | 94 | -169.8 | 176.3 | -169.2 | 179.9 | -169.5 | 0.4 | 108.3 | T982 | R980-T982 PolarHBondContact O-N 2.87Š| ||
| 981 | P | 24.7 | Very low | 25.6 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -63 | 129.8 | 171.1 | -16.3 | 30.6 | 0 | 0 | 0 | 108.7 | D979 | D979-P981 WeakPolarHBondContact O-CD 3.34Š| ||
| 982 | T | 24.9 | Very low | 26.1 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | trans | -66.9 | 154.6 | 171.3 | 32.3 | 0 | 0 | 0 | 0 | 110.7 | R980 L984 | R980-T982 PolarHBondContact O-N 2.87Å; T982-L984 PolarHBondContact O-N 3.35Å; T982-L984 VanDerWaalsContact O-N 3.15Å | ||
| 983 | L | 23.8 | Very low | 26.5 | Very low | 176 Ų | 176 | 135.9 Ų | 135.9 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | trans | -62.6 | 114.8 | 178.4 | -71.6 | 159.3 | 0 | 0 | 0 | 109.5 | ||||
| 984 | L | 25 | Very low | 27.2 | Very low | 158 Ų | 158 | 133.2 Ų | 133.2 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | trans | -84 | 125.1 | 165.1 | -103.3 | 166.8 | 0 | 0 | 0 | 108.7 | T982 S986 | T982-L984 PolarHBondContact O-N 3.35Å; T982-L984 VanDerWaalsContact O-N 3.15Å; L984-S986 PolarHBondContact O-N 3.38Å | ||
| 985 | D | 26.8 | Very low | 27.7 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 87% | 0.866 | 74% | 0.736 | S | S | * | * | trans | -55.4 | 125.6 | 176.4 | -73.1 | -58.9 | 0 | 0 | 0 | 111.4 | ||||
| 986 | S | 23.8 | Very low | 27.9 | Very low | 88 Ų | 88 | 132.9 Ų | 132.9 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | trans | -155.8 | 86.4 | 167.8 | 45.4 | 0 | 0 | 0 | 0 | 110.3 | L984 S988 | L984-S986 PolarHBondContact O-N 3.38Å; S986-S988 PolarHBondContact O-N 3.05Å | ||
| 987 | S | 26.8 | Very low | 28.3 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 79% | 0.79 | 71% | 0.712 | S | S | * | * | trans | -66.3 | 59.8 | 167.8 | 41.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 988 | S | 27.3 | Very low | 29 | Very low | 77 Ų | 77 | 129.2 Ų | 129.2 | 54% | 0.538 | 70% | 0.7 | S | S | . | * | trans | -146 | 34.4 | -168 | 65.5 | 0 | 0 | 0 | 0 | 114.4 | S986 | S986-S988 PolarHBondContact O-N 3.05Š| ||
| 989 | M | 25.2 | Very low | 29.6 | Very low | 116 Ų | 116 | 125 Ų | 125 | 57% | 0.571 | 68% | 0.679 | S | S | * | * | trans | -129 | 27.4 | 170.6 | -91.4 | -67.1 | 105.8 | 0 | 0 | 114.5 | E991 Q992 | M989-E991 PolarHBondContact O-N 3.01Å; M989-Q992 PolarHBondContact O-N 2.83Å; M989-Q992 HydrophobicContact SD-CG 3.79Å | ||
| 990 | T | 32 | Very low | 30 | Very low | 118 Ų | 118 | 121.2 Ų | 121.2 | 72% | 0.724 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -11.5 | 166.9 | 35.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 991 | E | 37.9 | Very low | 30.6 | Very low | 131 Ų | 131 | 112.7 Ų | 112.7 | 61% | 0.612 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -80.6 | -24.4 | 178 | -68.8 | -154.3 | 114.3 | 0 | 0 | 115.5 | M989 T993 V994 M995 | M989-E991 PolarHBondContact O-N 3.01Å; E991-T993 PolarHBondContact O-N 3.03Å; E991-V994 CarbonylContact O-C 3.45Å; E991-V994 PolarHBondContact O-N 3.24Å; E991-M995 WeakPolarHBondContact O-CB 3.29Å; E991-M995 WeakPolarHBondContact O-CG 3.44Å; E991-M995 PolarHBondContact O-N 3.49Å |
| 992 | Q | 31.9 | Very low | 31.4 | Very low | 139 Ų | 139 | 110.9 Ų | 110.9 | 65% | 0.65 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -72.2 | -32.7 | -175.3 | -74.8 | -166.9 | 12.3 | 0 | 0 | 113.6 | M989 M995 F996 | M989-Q992 PolarHBondContact O-N 2.83Å; M989-Q992 HydrophobicContact SD-CG 3.79Å; Q992-M995 PolarHBondContact O-N 3.11Å; Q992-F996 PolarHBondContact O-N 3.21Å |
| 993 | T | 33.4 | Very low | 31.7 | Very low | 111 Ų | 111 | 108.4 Ų | 108.4 | 68% | 0.681 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -73.2 | -32.4 | 172.5 | -41.5 | 0 | 0 | 0 | 0 | 111.9 | E991 F996 S997 | E991-T993 PolarHBondContact O-N 3.03Å; T993-F996 PolarHBondContact O-N 3.07Å; T993-S997 WeakPolarHBondContact O-CB 3.49Å; T993-S997 PolarHBondContact O-N 3.34Å; T993-S997 PolarHBondContact O-OG 3.19Å |
| 994 | V | 36.9 | Very low | 32.1 | Very low | 73 Ų | 73 | 105.8 Ų | 105.8 | 44% | 0.442 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -72.4 | -35.1 | 173.3 | 179.7 | 0 | 0 | 0 | 0 | 111 | E991 S997 K998 | E991-V994 CarbonylContact O-C 3.45Å; E991-V994 PolarHBondContact O-N 3.24Å; V994-S997 WeakPolarHBondContact CA-OG 3.26Å; V994-S997 PolarHBondContact O-OG 2.77Å; V994-K998 HydrophobicContact CG1-CD 4.26Å; V994-K998 HydrophobicContact CG1-CG 4.49Å; V994-K998 VanDerWaalsContact O-CB 3.23Å; V994-K998 WeakPolarHBondContact O-CB 3.45Å; V994-K998 PolarHBondContact O-N 3.04Å |
| 995 | M | 34.7 | Very low | 32.7 | Very low | 125 Ų | 125 | 106.7 Ų | 106.7 | 62% | 0.616 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.6 | -38 | 171.1 | -82.7 | -66.1 | -160.2 | 0 | 0 | 112 | E991 Q992 A999 | E991-M995 WeakPolarHBondContact O-CB 3.29Å; E991-M995 WeakPolarHBondContact O-CG 3.44Å; E991-M995 PolarHBondContact O-N 3.49Å; Q992-M995 PolarHBondContact O-N 3.11Å; M995-A999 WeakPolarHBondContact O-CA 3.4Å; M995-A999 WeakPolarHBondContact O-CB 3.45Å; M995-A999 PolarHBondContact O-N 2.97Å |
| 996 | F | 30.6 | Very low | 33.2 | Very low | 158 Ų | 158 | 104.5 Ų | 104.5 | 69% | 0.693 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69.4 | -42.5 | 176 | -152.1 | -92.8 | 0 | 0 | 0 | 111.9 | Q992 T993 A999 V1000 | Q992-F996 PolarHBondContact O-N 3.21Å; T993-F996 PolarHBondContact O-N 3.07Å; F996-A999 PolarHBondContact O-N 3.16Å; F996-V1000 HydrophobicContact CD1-CG2 4.11Å; F996-V1000 HydrophobicContact CE1-CG2 4.02Å; F996-V1000 WeakPolarHBondContact O-CB 3.49Å; F996-V1000 VanDerWaalsContact O-CG2 3.29Å; F996-V1000 WeakPolarHBondContact O-CG2 3.41Å; F996-V1000 PolarHBondContact O-N 3.08Å |
| 997 | S | 31.1 | Very low | 33.5 | Very low | 71 Ų | 71 | 110.9 Ų | 110.9 | 50% | 0.497 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69 | -39.5 | 175.9 | 53 | 0 | 0 | 0 | 0 | 113 | T993 V994 A1001 | T993-S997 WeakPolarHBondContact O-CB 3.49Å; T993-S997 PolarHBondContact O-N 3.34Å; T993-S997 PolarHBondContact O-OG 3.19Å; V994-S997 WeakPolarHBondContact CA-OG 3.26Å; V994-S997 PolarHBondContact O-OG 2.77Å; S997-A1001 VanDerWaalsContact O-CB 3.23Å; S997-A1001 WeakPolarHBondContact O-CB 3.32Å; S997-A1001 PolarHBondContact O-N 3.04Å |
| 998 | K | 39.1 | Very low | 33.8 | Very low | 134 Ų | 134 | 112.3 Ų | 112.3 | 58% | 0.583 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.3 | -38.8 | 170.7 | -80.4 | -175.8 | 175.3 | 172.5 | 0 | 112.8 | V994 V1000 A1001 T1002 | V994-K998 HydrophobicContact CG1-CD 4.26Å; V994-K998 HydrophobicContact CG1-CG 4.49Å; V994-K998 VanDerWaalsContact O-CB 3.23Å; V994-K998 WeakPolarHBondContact O-CB 3.45Å; V994-K998 PolarHBondContact O-N 3.04Å; K998-V1000 VanDerWaalsContact C-N 3.35Å; K998-A1001 CarbonylContact O-C 3.59Å; K998-A1001 PolarHBondContact O-N 3.27Å; K998-T1002 WeakPolarHBondContact O-CB 3.39Å; K998-T1002 WeakPolarHBondContact O-CG2 3.45Å; K998-T1002 PolarHBondContact O-N 3Å; K998-T1002 PolarHBondContact O-OG1 2.78Å |
| 999 | A | 34.3 | Very low | 34 | Very low | 50 Ų | 50 | 117.9 Ų | 117.9 | 41% | 0.413 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.4 | -36.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | M995 F996 T1002 S1003 | M995-A999 WeakPolarHBondContact O-CA 3.4Å; M995-A999 WeakPolarHBondContact O-CB 3.45Å; M995-A999 PolarHBondContact O-N 2.97Å; F996-A999 PolarHBondContact O-N 3.16Å; A999-T1002 PolarHBondContact O-OG1 3.34Å; A999-S1003 WeakPolarHBondContact O-CB 3.32Å; A999-S1003 PolarHBondContact O-N 2.95Å |
| 1000 | V | 34.9 | Very low | 34.2 | Very low | 70 Ų | 70 | 117 Ų | 117 | 42% | 0.424 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66.4 | -44.6 | 169.7 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | F996 K998 T1002 L1004 | F996-V1000 HydrophobicContact CD1-CG2 4.11Å; F996-V1000 HydrophobicContact CE1-CG2 4.02Å; F996-V1000 WeakPolarHBondContact O-CB 3.49Å; F996-V1000 VanDerWaalsContact O-CG2 3.29Å; F996-V1000 WeakPolarHBondContact O-CG2 3.41Å; F996-V1000 PolarHBondContact O-N 3.08Å; K998-V1000 VanDerWaalsContact C-N 3.35Å; V1000-T1002 PolarHBondContact O-N 2.83Å; V1000-L1004 HydrophobicContact CG1-CD1 3.79Å; V1000-L1004 HydrophobicContact CG1-CG 4.46Å; V1000-L1004 VanDerWaalsContact O-CB 3.27Å; V1000-L1004 WeakPolarHBondContact O-CB 3.5Å; V1000-L1004 VanDerWaalsContact O-CG 3.24Å; V1000-L1004 WeakPolarHBondContact O-CG 3.27Å; V1000-L1004 PolarHBondContact O-N 3.37Å |
| 1001 | A | 36.7 | Very low | 34.1 | Very low | 51 Ų | 51 | 115.9 Ų | 115.9 | 42% | 0.421 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69.9 | -28.1 | 180 | 0 | 0 | 0 | 0 | 0 | 114.8 | S997 K998 K1005 | S997-A1001 VanDerWaalsContact O-CB 3.23Å; S997-A1001 WeakPolarHBondContact O-CB 3.32Å; S997-A1001 PolarHBondContact O-N 3.04Å; K998-A1001 CarbonylContact O-C 3.59Å; K998-A1001 PolarHBondContact O-N 3.27Å; A1001-K1005 WeakPolarHBondContact O-CB 3.38Å; A1001-K1005 WeakPolarHBondContact O-CG 3.45Å; A1001-K1005 PolarHBondContact O-N 3.37Å |
| 1002 | T | 42 | Very low | 33.5 | Very low | 83 Ų | 83 | 117.6 Ų | 117.6 | 51% | 0.509 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -85.8 | -42.1 | 174.1 | 56.9 | 0 | 0 | 0 | 0 | 111.5 | K998 A999 V1000 L1004 K1005 T1006 | K998-T1002 WeakPolarHBondContact O-CB 3.39Å; K998-T1002 WeakPolarHBondContact O-CG2 3.45Å; K998-T1002 PolarHBondContact O-N 3Å; K998-T1002 PolarHBondContact O-OG1 2.78Å; A999-T1002 PolarHBondContact O-OG1 3.34Å; V1000-T1002 PolarHBondContact O-N 2.83Å; T1002-L1004 VanDerWaalsContact C-N 3.3Å; T1002-L1004 PolarHBondContact O-N 3.28Å; T1002-K1005 CarbonylContact O-C 3.59Å; T1002-K1005 WeakPolarHBondContact O-CA 3.26Å; T1002-K1005 PolarHBondContact O-N 2.9Å; T1002-T1006 PolarHBondContact O-N 2.91Å; T1002-T1006 PolarHBondContact O-OG1 3.31Å; T1002-T1006 VanDerWaalsContact O-OG1 3.11Å |
| 1003 | S | 32.4 | Very low | 33.3 | Very low | 73 Ų | 73 | 116.7 Ų | 116.7 | 51% | 0.51 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -63 | -35.2 | 176.2 | -170.2 | 0 | 0 | 0 | 0 | 112.2 | A999 R1007 | A999-S1003 WeakPolarHBondContact O-CB 3.32Å; A999-S1003 PolarHBondContact O-N 2.95Å; S1003-R1007 PolarHBondContact O-N 3.27Å |
| 1004 | L | 32.1 | Very low | 33.1 | Very low | 120 Ų | 120 | 120.8 Ų | 120.8 | 63% | 0.628 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -68.6 | -34.3 | 168.7 | -72 | 171.4 | 0 | 0 | 0 | 112.6 | V1000 T1002 | V1000-L1004 HydrophobicContact CG1-CD1 3.79Å; V1000-L1004 HydrophobicContact CG1-CG 4.46Å; V1000-L1004 VanDerWaalsContact O-CB 3.27Å; V1000-L1004 WeakPolarHBondContact O-CB 3.5Å; V1000-L1004 VanDerWaalsContact O-CG 3.24Å; V1000-L1004 WeakPolarHBondContact O-CG 3.27Å; V1000-L1004 PolarHBondContact O-N 3.37Å; T1002-L1004 VanDerWaalsContact C-N 3.3Å; T1002-L1004 PolarHBondContact O-N 3.28Å |
| 1005 | K | 37.9 | Very low | 32.6 | Very low | 177 Ų | 177 | 124.1 Ų | 124.1 | 77% | 0.77 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -83.6 | -7.7 | 177.7 | -76 | -172.2 | 173.7 | -173.7 | 0 | 115.6 | A1001 T1002 | A1001-K1005 WeakPolarHBondContact O-CB 3.38Å; A1001-K1005 WeakPolarHBondContact O-CG 3.45Å; A1001-K1005 PolarHBondContact O-N 3.37Å; T1002-K1005 CarbonylContact O-C 3.59Å; T1002-K1005 WeakPolarHBondContact O-CA 3.26Å; T1002-K1005 PolarHBondContact O-N 2.9Å |
| 1006 | T | 36.2 | Very low | 32.2 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 72% | 0.718 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.2 | 19.3 | 176.5 | 62.9 | 0 | 0 | 0 | 0 | 114.1 | T1002 | T1002-T1006 PolarHBondContact O-N 2.91Å; T1002-T1006 PolarHBondContact O-OG1 3.31Å; T1002-T1006 VanDerWaalsContact O-OG1 3.11Å |
| 1007 | R | 30.2 | Very low | 31.9 | Very low | 222 Ų | 222 | 125.3 Ų | 125.3 | 84% | 0.838 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -121.3 | -3.4 | 172 | -158.6 | 166 | 175 | 170.5 | -1.6 | 115.8 | S1003 | S1003-R1007 PolarHBondContact O-N 3.27Š|
| 1008 | E | 32 | Very low | 31.5 | Very low | 143 Ų | 143 | 128.7 Ų | 128.7 | 67% | 0.668 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -91.2 | -19.6 | 176.6 | -64.9 | -168.6 | 134 | 0 | 0 | 114.7 | ||
| 1009 | F | 32.2 | Very low | 30.7 | Very low | 194 Ų | 194 | 128.8 Ų | 128.8 | 85% | 0.851 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -113.1 | 59.3 | -173.8 | -78.5 | -83.6 | 0 | 0 | 0 | 114.4 | ||
| 1010 | A | 29.7 | Very low | 30.4 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 79% | 0.793 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -149 | -10.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1011 | A | 29 | Very low | 29.8 | Very low | 95 Ų | 95 | 132.6 Ų | 132.6 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -124.2 | -13 | -176 | 0 | 0 | 0 | 0 | 0 | 115 | T1013 | A1011-T1013 PolarHBondContact O-N 3.07Š|
| 1012 | L | 26.8 | Very low | 29.2 | Very low | 167 Ų | 167 | 135.8 Ų | 135.8 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | trans | -93.1 | 71.5 | 177 | -81 | 169.1 | 0 | 0 | 0 | 111.8 | ||||
| 1013 | T | 27.5 | Very low | 28.3 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -130.7 | 105 | 167.1 | 13.4 | 0 | 0 | 0 | 0 | 111.5 | A1011 | A1011-T1013 PolarHBondContact O-N 3.07Š|
| 1014 | K | 28 | Very low | 27.9 | Very low | 198 Ų | 198 | 134 Ų | 134 | 86% | 0.861 | 73% | 0.729 | S | S | * | * | trans | 60.9 | 67.9 | 166.7 | -56.9 | 179.5 | -178.1 | 174.4 | 0 | 116.6 | ||||
| 1015 | V | 26.8 | Very low | 27.5 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 87% | 0.867 | 74% | 0.739 | S | S | * | * | -102 | 125.3 | 118.8 | 179.7 | 0 | 0 | 0 | 0 | 106.2 | T1017 | V1015-T1017 PolarHBondContact O-N 2.84Š| |||
| 1016 | K | 27.6 | Very low | 26.9 | Very low | 175 Ų | 175 | 131.6 Ų | 131.6 | 76% | 0.761 | 74% | 0.738 | S | S | * | * | trans | -72.2 | 120.9 | 170.1 | -90 | -175.2 | 168.8 | -173.2 | 0 | 107.6 | M1018 | K1016-M1018 VanDerWaalsContact C-N 3.28Å; K1016-M1018 HydrophobicContact CB-CG 4.44Å; K1016-M1018 PolarHBondContact O-N 2.59Å | ||
| 1017 | T | 22.6 | Very low | 26.3 | Very low | 133 Ų | 133 | 132.9 Ų | 132.9 | 82% | 0.816 | 74% | 0.741 | S | S | * | * | trans | -64.3 | 92.8 | 155 | 35.4 | 0 | 0 | 0 | 0 | 108.4 | V1015 T1019 | V1015-T1017 PolarHBondContact O-N 2.84Å; T1017-T1019 PolarHBondContact O-N 2.84Å | ||
| 1018 | M | 23.7 | Very low | 26 | Very low | 142 Ų | 142 | 127.7 Ų | 127.7 | 70% | 0.7 | 74% | 0.736 | S | S | * | * | trans | -88 | 86.3 | 159.7 | -77.3 | -168.8 | 63.5 | 0 | 0 | 107.8 | K1016 I1020 | K1016-M1018 VanDerWaalsContact C-N 3.28Å; K1016-M1018 HydrophobicContact CB-CG 4.44Å; K1016-M1018 PolarHBondContact O-N 2.59Å; M1018-I1020 HydrophobicContact CE-CD1 4.21Å; M1018-I1020 PolarHBondContact O-N 3.43Å; M1018-I1020 VanDerWaalsContact O-N 3.15Å | ||
| 1019 | T | 22.5 | Very low | 25.7 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 83% | 0.828 | 75% | 0.746 | S | S | * | * | trans | -63.5 | 106.8 | 161.5 | 29.9 | 0 | 0 | 0 | 0 | 108.8 | T1017 | T1017-T1019 PolarHBondContact O-N 2.84Š| ||
| 1020 | I | 27.1 | Very low | 25.2 | Very low | 143 Ų | 143 | 126.4 Ų | 126.4 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | trans | -124.2 | 111 | 156.4 | -60.6 | 177.3 | 0 | 0 | 0 | 103.8 | M1018 | M1018-I1020 HydrophobicContact CE-CD1 4.21Å; M1018-I1020 PolarHBondContact O-N 3.43Å; M1018-I1020 VanDerWaalsContact O-N 3.15Å | ||
| 1021 | G | 23.3 | Very low | 24.9 | Very low | 58 Ų | 58 | 130.8 Ų | 130.8 | 60% | 0.598 | 75% | 0.746 | S | S | * | * | trans | -90.6 | -172.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1022 | T | 24.2 | Very low | 24.6 | Very low | 118 Ų | 118 | 131 Ų | 131 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | trans | 67.4 | 124.4 | 168.4 | 61.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1023 | S | 21.8 | Very low | 24.6 | Very low | 52 Ų | 52 | 131.1 Ų | 131.1 | 36% | 0.364 | 74% | 0.741 | S | S | . | * | trans | 81.3 | 82.7 | 145.9 | 69.4 | 0 | 0 | 0 | 0 | 119.1 | N1025 L1148 D1149 | S1023-N1025 PolarHBondContact O-N 2.85Å; S1023-L1148 WeakPolarHBondContact CA-O 3.38Å; S1023-L1148 VanDerWaalsContact CB-O 3.31Å; S1023-L1148 WeakPolarHBondContact CB-O 3.22Å; S1023-L1148 PolarHBondContact N-O 3.33Å; S1023-D1149 WeakPolarHBondContact CA-OD2 3.47Å; S1023-D1149 PolarHBondContact N-OD2 3.38Å | ||
| 1024 | T | 24.7 | Very low | 24.8 | Very low | 65 Ų | 65 | 130.9 Ų | 130.9 | 40% | 0.399 | 74% | 0.735 | S | S | . | * | 15.4 | 95.6 | 124.4 | 48.1 | 0 | 0 | 0 | 0 | 116.6 | A1147 L1148 D1149 | T1024-A1147 VanDerWaalsContact OG1-CB 3.27Å; T1024-A1147 WeakPolarHBondContact OG1-CB 3.5Å; T1024-L1148 HydrophobicContact CG2-CB 4.4Å; T1024-D1149 VanDerWaalsContact CG2-OD1 3.27Å; T1024-D1149 WeakPolarHBondContact CG2-OD1 3.47Å; T1024-D1149 PolarHBondContact N-OD2 3.13Å | |||
| 1025 | N | 24.1 | Very low | 25.4 | Very low | 156 Ų | 156 | 126.1 Ų | 126.1 | 83% | 0.834 | 72% | 0.724 | S | S | * | * | trans | -138.3 | 145 | 154.8 | -101 | -74.7 | 0 | 0 | 0 | 109.8 | S1023 | S1023-N1025 PolarHBondContact O-N 2.85Š| ||
| 1026 | A | 24.1 | Very low | 25.2 | Very low | 92 Ų | 92 | 127 Ų | 127 | 76% | 0.76 | 72% | 0.719 | S | S | * | * | trans | -89.6 | 148.6 | -153.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1027 | D | 24.1 | Very low | 24.9 | Very low | 144 Ų | 144 | 123.6 Ų | 123.6 | 77% | 0.77 | 71% | 0.712 | S | S | * | * | trans | 37.5 | 78.3 | 154.3 | -70.2 | -25.3 | 0 | 0 | 0 | 119 | F1029 | D1027-F1029 PolarHBondContact O-N 2.78Š| ||
| 1028 | P | 24.6 | Very low | 25 | Very low | 112 Ų | 112 | 124 Ų | 124 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | trans | -78.8 | 65.6 | 166.4 | 35.2 | -36.1 | 0 | 0 | 0 | 112.3 | ||||
| 1029 | F | 24.7 | Very low | 24.9 | Very low | 203 Ų | 203 | 123.8 Ų | 123.8 | 89% | 0.89 | 72% | 0.717 | S | S | * | * | trans | -129.2 | 68.4 | 165.1 | -83.5 | -66.4 | 0 | 0 | 0 | 111.7 | D1027 | D1027-F1029 PolarHBondContact O-N 2.78Š| ||
| 1030 | S | 21.4 | Very low | 24.9 | Very low | 108 Ų | 108 | 122.4 Ų | 122.4 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | trans | -132.3 | 54.4 | -179.1 | 47.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1031 | E | 24.9 | Very low | 24.7 | Very low | 188 Ų | 188 | 120.5 Ų | 120.5 | 88% | 0.879 | 71% | 0.708 | S | S | * | * | trans | -123.2 | 115.6 | 156.4 | -65.4 | -174.4 | 147.2 | 0 | 0 | 106.6 | ||||
| 1032 | S | 22.6 | Very low | 24.8 | Very low | 99 Ų | 99 | 126.4 Ų | 126.4 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | cis | 69.5 | 102.2 | 44.3 | 92.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1033 | I | 26 | Very low | 24.7 | Very low | 170 Ų | 170 | 127 Ų | 127 | 87% | 0.872 | 72% | 0.716 | S | S | * | * | trans | -177.1 | 139.3 | 146.5 | -96.9 | 150.9 | 0 | 0 | 0 | 110 | ||||
| 1034 | L | 32.7 | Very low | 24.8 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 60% | 0.602 | 73% | 0.73 | S | S | * | * | trans | -115.1 | 170.8 | 169.9 | -83.5 | 168.1 | 0 | 0 | 0 | 107.1 | ||||
| 1035 | P | 40 | Very low | 24.8 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | cis | -130.9 | -139.4 | 23.7 | 30.9 | -3.5 | 0 | 0 | 0 | 111.1 | ||||
| 1036 | E | 21.7 | Very low | 24.9 | Very low | 161 Ų | 161 | 136.5 Ų | 136.5 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | cis | -154.9 | -141.5 | 7.5 | -159.3 | 53.7 | -78.4 | 0 | 0 | 111.5 | ||||
| 1037 | V | 21.8 | Very low | 25 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 63% | 0.63 | 74% | 0.743 | S | S | * | * | trans | -139.3 | 132.9 | -157.2 | 170.9 | 0 | 0 | 0 | 0 | 112.5 | D1039 | V1037-D1039 HydrophobicContact CG1-CB 4.09Š| ||
| 1038 | T | 24.9 | Very low | 25.1 | Very low | 141 Ų | 141 | 142.4 Ų | 142.4 | 87% | 0.865 | 75% | 0.747 | S | S | * | * | trans | -160.5 | 114 | 142 | 50.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1039 | D | 21.6 | Very low | 25 | Very low | 138 Ų | 138 | 147.1 Ų | 147.1 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | cis | 89 | 136 | 34.1 | -158.8 | 15.7 | 0 | 0 | 0 | 114.4 | V1037 | V1037-D1039 HydrophobicContact CG1-CB 4.09Š| ||
| 1040 | S | 22.3 | Very low | 24.9 | Very low | 105 Ų | 105 | 148.4 Ų | 148.4 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | trans | 63.8 | 148 | -178.5 | 88.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1041 | T | 24 | Very low | 24.9 | Very low | 104 Ų | 104 | 151.4 Ų | 151.4 | 64% | 0.638 | 76% | 0.762 | S | S | * | * | cis | -146.7 | 172.5 | -6 | 51.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1042 | F | 24.7 | Very low | 24.8 | Very low | 181 Ų | 181 | 147.2 Ų | 147.2 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | cis | -129.2 | 175.4 | -2.4 | -78.8 | -78.6 | 0 | 0 | 0 | 107.5 | ||||
| 1043 | D | 22.4 | Very low | 24.9 | Very low | 130 Ų | 130 | 146.8 Ų | 146.8 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | cis | 68.6 | 134.5 | 38 | -112.7 | 55 | 0 | 0 | 0 | 115 | ||||
| 1044 | T | 23.6 | Very low | 24.8 | Very low | 109 Ų | 109 | 146.5 Ų | 146.5 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | cis | -153.5 | 157 | -14.1 | -0.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1045 | D | 23.7 | Very low | 24.5 | Very low | 110 Ų | 110 | 147.8 Ų | 147.8 | 59% | 0.588 | 77% | 0.768 | S | S | * | * | trans | 41.5 | 101.4 | 142.3 | -144 | 22 | 0 | 0 | 0 | 120.4 | K1047 | D1045-K1047 WeakPolarHBondContact OD2-CE 3.28Å; D1045-K1047 IonicContact OD2-NZ 2.66Å; D1045-K1047 PolarHBondContact OD2-NZ 2.84Å | ||
| 1046 | R | 27.9 | Very low | 24.2 | Very low | 255 Ų | 255 | 148.4 Ų | 148.4 | 96% | 0.962 | 78% | 0.775 | S | S | * | * | trans | -131.9 | 69.6 | 152.2 | -149.1 | 166.8 | -170.1 | 161.7 | 3.8 | 114.4 | ||||
| 1047 | K | 26.1 | Very low | 24.5 | Very low | 163 Ų | 163 | 146.4 Ų | 146.4 | 71% | 0.709 | 78% | 0.776 | S | S | * | * | trans | 1.4 | 132.7 | 157.7 | -68.8 | 165.3 | 179.8 | 142.9 | 0 | 118.7 | D1045 | D1045-K1047 WeakPolarHBondContact OD2-CE 3.28Å; D1045-K1047 IonicContact OD2-NZ 2.66Å; D1045-K1047 PolarHBondContact OD2-NZ 2.84Å | ||
| 1048 | K | 24.9 | Very low | 24.6 | Very low | 197 Ų | 197 | 149.1 Ų | 149.1 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | trans | -18.8 | 133.1 | 150.5 | -58.9 | 164.3 | 179.3 | 169.4 | 0 | 113.9 | ||||
| 1049 | F | 22.6 | Very low | 24.6 | Very low | 211 Ų | 211 | 147.1 Ų | 147.1 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | -157.4 | 145 | 124.6 | -112.7 | -73.3 | 0 | 0 | 0 | 112 | |||||
| 1050 | R | 22.7 | Very low | 24.6 | Very low | 230 Ų | 230 | 151.3 Ų | 151.3 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | -74.5 | 145.6 | 164.3 | -68.2 | 169.9 | 167.3 | 160.3 | -6.8 | 108.8 | ||||
| 1051 | L | 22.3 | Very low | 24.8 | Very low | 170 Ų | 170 | 153.9 Ų | 153.9 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | trans | -160.6 | 156.4 | 131.2 | -111.1 | 164.7 | 0 | 0 | 0 | 111.6 | ||||
| 1052 | S | 22.4 | Very low | 24.6 | Very low | 100 Ų | 100 | 158.3 Ų | 158.3 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | -93.4 | 149.8 | -170.9 | 50.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1053 | A | 25 | Very low | 24.6 | Very low | 91 Ų | 91 | 159.3 Ų | 159.3 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | 10.3 | 122.9 | 151.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1054 | L | 22.8 | Very low | 24.7 | Very low | 164 Ų | 164 | 160 Ų | 160 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | -173.2 | 137.4 | 126.3 | -103.4 | 166.4 | 0 | 0 | 0 | 111.5 | |||||
| 1055 | T | 27.8 | Very low | 24.7 | Very low | 142 Ų | 142 | 159.2 Ų | 159.2 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | trans | 154.8 | 142.3 | 131.1 | 44.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 1056 | S | 33.2 | Very low | 24.7 | Very low | 110 Ų | 110 | 162.3 Ų | 162.3 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -145.1 | 148.5 | -178.1 | 60.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1057 | P | 27.6 | Very low | 24.4 | Very low | 119 Ų | 119 | 153.7 Ų | 153.7 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -116 | 111.9 | 168 | 12.7 | 9.2 | 0 | 0 | 0 | 114.9 | ||||
| 1058 | L | 24.3 | Very low | 24.4 | Very low | 161 Ų | 161 | 149.8 Ų | 149.8 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | 82.6 | 137.6 | 127.6 | -60.6 | 171.5 | 0 | 0 | 0 | 124.2 | |||||
| 1059 | S | 25 | Very low | 24.3 | Very low | 100 Ų | 100 | 145.6 Ų | 145.6 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | trans | 74 | 104.6 | 157.8 | 71.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 1060 | W | 21.1 | Very low | 24.5 | Very low | 225 Ų | 225 | 145 Ų | 145 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | 92.5 | 141.6 | 77.1 | -82.6 | 21.4 | 0 | 0 | 0 | 112.4 | |||||
| 1061 | K | 26 | Very low | 24.5 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 70% | 0.696 | 80% | 0.796 | S | S | * | * | cis | -141.4 | 127 | -1.9 | -103.2 | 164.1 | 177.3 | 171.4 | 0 | 106.3 | ||||
| 1062 | R | 21.4 | Very low | 24.6 | Very low | 197 Ų | 197 | 141.7 Ų | 141.7 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | 76.3 | 114.4 | 81.1 | -178.1 | -177.4 | -84.5 | -144.6 | -0.9 | 115 | |||||
| 1063 | R | 23 | Very low | 25.4 | Very low | 201 Ų | 201 | 141.4 Ų | 141.4 | 76% | 0.758 | 79% | 0.788 | S | S | * | * | trans | 70.5 | 155.6 | 162 | -73.1 | 178.5 | -177.3 | 165.1 | -2.5 | 116.4 | ||||
| 1064 | N | 25.4 | Very low | 25.3 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | cis | -138.7 | 161.8 | 5.7 | -127.2 | 5.7 | 0 | 0 | 0 | 111.6 | ||||
| 1065 | A | 23.4 | Very low | 25.3 | Very low | 93 Ų | 93 | 139.3 Ų | 139.3 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -99.8 | 136.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1066 | L | 24.9 | Very low | 25.1 | Very low | 175 Ų | 175 | 144.4 Ų | 144.4 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | -153.5 | 141.6 | 158.9 | -88.7 | 168.8 | 0 | 0 | 0 | 104.9 | ||||
| 1067 | G | 21.7 | Very low | 24.6 | Very low | 73 Ų | 73 | 143.9 Ų | 143.9 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | cis | 118.5 | 79.8 | 12.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1068 | G | 25.6 | Very low | 24.4 | Very low | 81 Ų | 81 | 147 Ų | 147 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -175 | 78 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1069 | S | 22.6 | Very low | 24.4 | Very low | 109 Ų | 109 | 146 Ų | 146 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -103.9 | 108 | 161.7 | 64.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1070 | E | 26.9 | Very low | 24.5 | Very low | 199 Ų | 199 | 146.2 Ų | 146.2 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | trans | -109.2 | 156.3 | 163.3 | -69.9 | -162.5 | 128.1 | 0 | 0 | 110.4 | ||||
| 1071 | K | 23.1 | Very low | 24.9 | Very low | 176 Ų | 176 | 140.9 Ų | 140.9 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | trans | -137 | 149.1 | -155.7 | -89.1 | -177.8 | 176 | 177.5 | 0 | 109.9 | ||||
| 1072 | L | 24.2 | Very low | 25.3 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | 67.1 | 176.2 | 152.1 | -66.5 | 164.6 | 0 | 0 | 0 | 114 | ||||
| 1073 | P | 38.1 | Very low | 25.5 | Very low | 94 Ų | 94 | 134.7 Ų | 134.7 | 61% | 0.61 | 79% | 0.792 | S | S | * | * | -140.9 | 177.6 | -52.6 | 38.7 | -24.5 | 0 | 0 | 0 | 115.6 | |||||
| 1074 | T | 22.4 | Very low | 25.6 | Very low | 141 Ų | 141 | 130.3 Ų | 130.3 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | 63.3 | 140.5 | 145.2 | 52.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1075 | G | 23 | Very low | 25.7 | Very low | 69 Ų | 69 | 129.3 Ų | 129.3 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -167.6 | 7.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1076 | R | 24.1 | Very low | 25.9 | Very low | 250 Ų | 250 | 131.1 Ų | 131.1 | 94% | 0.943 | 79% | 0.794 | S | S | * | * | trans | 66.9 | 161.5 | 174.1 | -53.2 | 176.6 | 179.1 | -163.8 | -2.3 | 114.3 | ||||
| 1077 | S | 23.9 | Very low | 25.9 | Very low | 98 Ų | 98 | 126.9 Ų | 126.9 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | cis | -157.2 | 163.3 | -4.1 | 24.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1078 | F | 22.9 | Very low | 26.1 | Very low | 186 Ų | 186 | 130 Ų | 130 | 82% | 0.816 | 78% | 0.784 | S | S | * | * | trans | 7.2 | 145.1 | 147 | -58.8 | -76.6 | 0 | 0 | 0 | 119.9 | ||||
| 1079 | D | 24.2 | Very low | 26.1 | Very low | 139 Ų | 139 | 130.6 Ų | 130.6 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | cis | -162.4 | -173.1 | 13.1 | -135.5 | -37.8 | 0 | 0 | 0 | 114.9 | ||||
| 1080 | S | 26.5 | Very low | 26.4 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | 64.5 | 96.7 | 159.7 | 68.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1081 | S | 30.4 | Very low | 26.4 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -67.7 | 170.4 | 131.8 | -66.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1082 | P | 33.7 | Very low | 26.4 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | cis | -138.8 | 161.7 | 16.4 | 41.9 | -24.6 | 0 | 0 | 0 | 117.7 | ||||
| 1083 | A | 26.6 | Very low | 26.5 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | -163.4 | 123.8 | 142.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1084 | S | 24.4 | Very low | 25.9 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 145.3 | 178.1 | 47 | 0 | 0 | 0 | 0 | 111.7 | V1086 | S1084-V1086 PolarHBondContact O-N 3.04Š|
| 1085 | P | 28.1 | Very low | 26 | Very low | 124 Ų | 124 | 133.3 Ų | 133.3 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 128.1 | 175.6 | 29.7 | -33.5 | 0 | 0 | 0 | 110.3 | A1087 | P1085-A1087 PolarHBondContact O-N 2.95Š|
| 1086 | V | 26.1 | Very low | 26.1 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 120.2 | 159.5 | 176.5 | 0 | 0 | 0 | 0 | 106.5 | S1084 | S1084-V1086 PolarHBondContact O-N 3.04Š|
| 1087 | A | 25.4 | Very low | 26.2 | Very low | 86 Ų | 86 | 132 Ų | 132 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 129.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | P1085 S1089 | P1085-A1087 PolarHBondContact O-N 2.95Å; A1087-S1089 PolarHBondContact O-N 3.22Å; A1087-S1089 VanDerWaalsContact O-N 3.08Å |
| 1088 | N | 25.7 | Very low | 26.2 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | -72.2 | 100.1 | 168.8 | -64.5 | -5.7 | 0 | 0 | 0 | 108.1 | E1090 | N1088-E1090 HydrophobicContact CB-CG 4.43Å; N1088-E1090 PolarHBondContact O-N 3.43Å | ||
| 1089 | S | 26.4 | Very low | 26.4 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | trans | -77.6 | 104.8 | 152.5 | 49.2 | 0 | 0 | 0 | 0 | 107.1 | A1087 D1091 | A1087-S1089 PolarHBondContact O-N 3.22Å; A1087-S1089 VanDerWaalsContact O-N 3.08Å; S1089-D1091 PolarHBondContact O-N 2.69Å | ||
| 1090 | E | 27.7 | Very low | 26.3 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | trans | -76.8 | 76.9 | 174 | -65.8 | 175.1 | 144.8 | 0 | 0 | 108.4 | N1088 E1092 | N1088-E1090 HydrophobicContact CB-CG 4.43Å; N1088-E1090 PolarHBondContact O-N 3.43Å; E1090-E1092 PolarHBondContact O-N 2.7Å | ||
| 1091 | D | 26.9 | Very low | 26.3 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | trans | -66.9 | 119.1 | 169.8 | -72 | -50.9 | 0 | 0 | 0 | 108.8 | S1089 H1093 | S1089-D1091 PolarHBondContact O-N 2.69Å; D1091-H1093 PolarHBondContact O-N 2.96Å | ||
| 1092 | E | 24.8 | Very low | 26.1 | Very low | 188 Ų | 188 | 141.4 Ų | 141.4 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -61.4 | 122.7 | -169.8 | -62.2 | -173.6 | 146 | 0 | 0 | 111 | E1090 S1094 | E1090-E1092 PolarHBondContact O-N 2.7Å; E1092-S1094 VanDerWaalsContact C-N 3.35Å; E1092-S1094 PolarHBondContact O-N 3.05Å | ||
| 1093 | H | 26.1 | Very low | 25.8 | Very low | 184 Ų | 184 | 141.3 Ų | 141.3 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | trans | -69.2 | 96.3 | 168.9 | -84.6 | 13.4 | 0 | 0 | 0 | 109.2 | D1091 V1095 | D1091-H1093 PolarHBondContact O-N 2.96Å; H1093-V1095 PolarHBondContact O-N 3.07Å | ||
| 1094 | S | 23.9 | Very low | 25.8 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -51.7 | 105.5 | 165 | 56.3 | 0 | 0 | 0 | 0 | 109.3 | E1092 S1096 | E1092-S1094 VanDerWaalsContact C-N 3.35Å; E1092-S1094 PolarHBondContact O-N 3.05Å; S1094-S1096 VanDerWaalsContact C-N 3.3Å; S1094-S1096 PolarHBondContact O-N 3.49Å | ||
| 1095 | V | 25.6 | Very low | 25.9 | Very low | 143 Ų | 143 | 145.9 Ų | 145.9 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -68.3 | 95.4 | 170.7 | 179 | 0 | 0 | 0 | 0 | 106.8 | H1093 K1097 | H1093-V1095 PolarHBondContact O-N 3.07Å; V1095-K1097 PolarHBondContact O-N 2.84Å | ||
| 1096 | S | 25.7 | Very low | 25.7 | Very low | 100 Ų | 100 | 147.2 Ų | 147.2 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | -57.6 | 126.5 | 173 | 49.3 | 0 | 0 | 0 | 0 | 108.8 | S1094 E1098 | S1094-S1096 VanDerWaalsContact C-N 3.3Å; S1094-S1096 PolarHBondContact O-N 3.49Å; S1096-E1098 PolarHBondContact O-N 2.95Å | ||
| 1097 | K | 25.1 | Very low | 25.7 | Very low | 192 Ų | 192 | 145.9 Ų | 145.9 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -47.9 | 135.1 | 173 | -73.1 | -178.4 | 173.9 | -177.7 | 0 | 110 | V1095 Q1099 | V1095-K1097 PolarHBondContact O-N 2.84Å; K1097-Q1099 PolarHBondContact O-N 3.4Å | ||
| 1098 | E | 24.1 | Very low | 25.6 | Very low | 192 Ų | 192 | 149.2 Ų | 149.2 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | -64.1 | 103 | 160.8 | -68.5 | 173.7 | 132.6 | 0 | 0 | 107.5 | S1096 L1100 | S1096-E1098 PolarHBondContact O-N 2.95Å; E1098-L1100 PolarHBondContact O-N 3.02Å | ||
| 1099 | Q | 26.4 | Very low | 25.5 | Very low | 180 Ų | 180 | 149.1 Ų | 149.1 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -70.3 | 113.2 | 157.4 | -70.1 | -176.7 | -89.3 | 0 | 0 | 105.9 | K1097 V1101 | K1097-Q1099 PolarHBondContact O-N 3.4Å; Q1099-V1101 PolarHBondContact O-N 3.06Å | ||
| 1100 | L | 23.9 | Very low | 25.4 | Very low | 164 Ų | 164 | 149.6 Ų | 149.6 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | trans | -55.2 | 122.7 | 171 | -78.4 | 162.1 | 0 | 0 | 0 | 108.3 | E1098 E1102 | E1098-L1100 PolarHBondContact O-N 3.02Å; L1100-E1102 PolarHBondContact O-N 3.11Å | ||
| 1101 | V | 26 | Very low | 25.3 | Very low | 115 Ų | 115 | 146.6 Ų | 146.6 | 70% | 0.697 | 77% | 0.766 | S | S | * | * | trans | -76.3 | 110.3 | 172.1 | 176.8 | 0 | 0 | 0 | 0 | 106.6 | Q1099 D1103 | Q1099-V1101 PolarHBondContact O-N 3.06Å; V1101-D1103 PolarHBondContact O-N 3.4Å | ||
| 1102 | E | 25.2 | Very low | 25.2 | Very low | 187 Ų | 187 | 144.5 Ų | 144.5 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | -70.5 | 94.7 | 171.8 | -68.6 | -177.2 | 143.8 | 0 | 0 | 108.8 | L1100 N1104 | L1100-E1102 PolarHBondContact O-N 3.11Å; E1102-N1104 PolarHBondContact O-N 3.31Å | ||
| 1103 | D | 27 | Very low | 25.2 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 67% | 0.674 | 76% | 0.764 | S | S | * | * | trans | -74.2 | 90.8 | -174.1 | -112.9 | -39 | 0 | 0 | 0 | 111.9 | V1101 I1105 | V1101-D1103 PolarHBondContact O-N 3.4Å; D1103-I1105 PolarHBondContact O-N 3.08Å | ||
| 1104 | N | 26.4 | Very low | 25 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | trans | 56.3 | 59.8 | 140.9 | -66 | -76.7 | 0 | 0 | 0 | 117.3 | E1102 | E1102-N1104 PolarHBondContact O-N 3.31Š| ||
| 1105 | I | 26.8 | Very low | 25.2 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 85% | 0.851 | 75% | 0.748 | S | S | * | * | trans | -89 | 119.8 | 153.1 | -60.2 | -177.4 | 0 | 0 | 0 | 108.4 | D1103 | D1103-I1105 PolarHBondContact O-N 3.08Š| ||
| 1106 | L | 24 | Very low | 25.4 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 80% | 0.796 | 73% | 0.733 | S | S | * | * | trans | -64.7 | 133.4 | -175.1 | -72.7 | 161.7 | 0 | 0 | 0 | 111.8 | L1108 | L1106-L1108 PolarHBondContact O-N 3.27Š| ||
| 1107 | P | 26.3 | Very low | 25.3 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 68% | 0.675 | 72% | 0.717 | S | S | * | * | trans | -72.6 | 111.4 | -179.5 | 29.1 | -34 | 0 | 0 | 0 | 111.1 | E1109 | P1107-E1109 VanDerWaalsContact C-N 3.29Å; P1107-E1109 HydrophobicContact CB-CG 4.49Å; P1107-E1109 PolarHBondContact O-N 2.85Å; P1107-E1109 VanDerWaalsContact O-N 3.11Å | ||
| 1108 | L | 23.3 | Very low | 25.3 | Very low | 156 Ų | 156 | 136.7 Ų | 136.7 | 82% | 0.817 | 72% | 0.716 | S | S | * | * | trans | -81.2 | 77.2 | 166.9 | -79.1 | 168.1 | 0 | 0 | 0 | 109.7 | L1106 L1110 | L1106-L1108 PolarHBondContact O-N 3.27Å; L1108-L1110 PolarHBondContact O-N 3.34Å | ||
| 1109 | E | 24.8 | Very low | 25.2 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | trans | -64.8 | 94.9 | 174.1 | -70 | -171.9 | -179.7 | 0 | 0 | 111.5 | P1107 N1111 | P1107-E1109 VanDerWaalsContact C-N 3.29Å; P1107-E1109 HydrophobicContact CB-CG 4.49Å; P1107-E1109 PolarHBondContact O-N 2.85Å; P1107-E1109 VanDerWaalsContact O-N 3.11Å; E1109-N1111 PolarHBondContact O-N 2.89Å; E1109-N1111 VanDerWaalsContact O-N 3.1Å; E1109-N1111 PolarHBondContact OE2-ND2 2.69Å | ||
| 1110 | L | 23.1 | Very low | 25.1 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 54% | 0.539 | 71% | 0.708 | S | S | . | * | trans | -82.1 | 70.7 | 163.6 | -91.2 | 78 | 0 | 0 | 0 | 110.2 | M429 L1108 A1112 | M429-L1110 HydrophobicContact CB-CD2 4.01Å; M429-L1110 HydrophobicContact CB-CG 4.13Å; M429-L1110 HydrophobicContact CG-CD2 4.41Å; M429-L1110 HydrophobicContact CG-CG 3.97Å; M429-L1110 VanDerWaalsContact SD-CA 3.56Å; M429-L1110 HydrophobicContact SD-CB 3.84Å; M429-L1110 HydrophobicContact SD-CD2 4.42Å; M429-L1110 HydrophobicContact SD-CG 3.78Å; L1108-L1110 PolarHBondContact O-N 3.34Å; L1110-A1112 PolarHBondContact O-N 2.93Å | ||
| 1111 | N | 25.8 | Very low | 25.4 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 59% | 0.594 | 70% | 0.702 | S | S | * | * | trans | -62 | 95.2 | 170.3 | -67.8 | -36.3 | 0 | 0 | 0 | 111.3 | M429 E1109 | M429-N1111 HydrophobicContact CE-CB 4.2Å; M429-N1111 VanDerWaalsContact CE-N 3.31Å; M429-N1111 VanDerWaalsContact CE-O 3.25Å; M429-N1111 WeakPolarHBondContact CE-O 3.41Å; E1109-N1111 PolarHBondContact O-N 2.89Å; E1109-N1111 VanDerWaalsContact O-N 3.1Å; E1109-N1111 PolarHBondContact OE2-ND2 2.69Å | ||
| 1112 | A | 25 | Very low | 25.3 | Very low | 89 Ų | 89 | 136.9 Ų | 136.9 | 74% | 0.736 | 71% | 0.711 | S | S | * | * | trans | -121.4 | 96.8 | 169 | 0 | 0 | 0 | 0 | 0 | 109 | L1110 | L1110-A1112 PolarHBondContact O-N 2.93Š| ||
| 1113 | E | 24.6 | Very low | 25.2 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | trans | -69.3 | 136.6 | 178.2 | -61.5 | 172.3 | 115.7 | 0 | 0 | 111.3 | ||||
| 1114 | L | 22.5 | Very low | 25.1 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 66% | 0.66 | 72% | 0.716 | S | S | * | * | trans | -147 | 119.9 | 155.9 | -104.7 | 165.1 | 0 | 0 | 0 | 107.4 | L633 | L633-L1114 HydrophobicContact CB-CD1 4.26Å; L633-L1114 HydrophobicContact CD1-CD1 4.09Å | ||
| 1115 | I | 26.9 | Very low | 25.2 | Very low | 118 Ų | 118 | 140 Ų | 140 | 61% | 0.605 | 71% | 0.708 | S | S | * | * | trans | -106.2 | 151.2 | -171.9 | -77.6 | 175.3 | 0 | 0 | 0 | 108.8 | ||||
| 1116 | P | 30.6 | Very low | 25.1 | Very low | 85 Ų | 85 | 139.7 Ų | 139.7 | 55% | 0.552 | 70% | 0.704 | S | S | * | * | trans | -56.5 | -93.3 | -139.8 | -32.1 | 39.5 | 0 | 0 | 0 | 124.4 | E630 | E630-P1116 WeakPolarHBondContact OE1-CA 3.46Å; E630-P1116 VanDerWaalsContact OE1-CD 3.28Å; E630-P1116 WeakPolarHBondContact OE1-CD 3.48Å | ||
| 1117 | M | 22.9 | Very low | 25.3 | Very low | 77 Ų | 77 | 142.5 Ų | 142.5 | 38% | 0.379 | 71% | 0.713 | S | S | . | * | trans | 130.4 | 45 | -137 | -76.2 | -152.2 | -129.3 | 0 | 0 | 115.1 | D629 E630 M1119 | D629-M1117 HydrophobicContact CB-CE 4.16Å; E630-M1117 HydrophobicContact CB-CB 3.81Å; E630-M1117 HydrophobicContact CB-CG 3.72Å; E630-M1117 HydrophobicContact CG-CB 4.48Å; E630-M1117 HydrophobicContact CG-CG 4.02Å; E630-M1117 WeakPolarHBondContact O-CB 3.14Å; E630-M1117 WeakPolarHBondContact O-CE 3.11Å; E630-M1117 WeakPolarHBondContact O-CG 3.4Å; E630-M1117 PolarHBondContact OE1-N 3.16Å; E630-M1117 VanDerWaalsContact OE1-N 3.09Å; E630-M1117 WeakPolarHBondContact OE2-CA 3.48Å; E630-M1117 WeakPolarHBondContact OE2-CG 3.14Å; E630-M1117 PolarHBondContact OE2-N 3.21Å; M1117-M1119 PolarHBondContact O-N 2.94Å | ||
| 1118 | E | 24.8 | Very low | 25.2 | Very low | 172 Ų | 172 | 144.9 Ų | 144.9 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | trans | -68 | 81.9 | 179.2 | -76.9 | -158.7 | 147 | 0 | 0 | 114.4 | E630 N1120 | E630-E1118 PolarHBondContact OE2-N 3.19Å; E1118-N1120 PolarHBondContact O-N 3.33Å; E1118-N1120 VanDerWaalsContact O-N 3.09Å | ||
| 1119 | M | 21.9 | Very low | 25.4 | Very low | 169 Ų | 169 | 144.2 Ų | 144.2 | 83% | 0.833 | 71% | 0.708 | S | S | * | * | trans | -76.3 | 90.6 | 161 | -90.8 | -70.5 | 166.6 | 0 | 0 | 110.7 | M1117 | M1117-M1119 PolarHBondContact O-N 2.94Š| ||
| 1120 | N | 24.4 | Very low | 25.7 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | trans | -53.1 | 123.8 | 179.8 | -168.2 | -9 | 0 | 0 | 0 | 112.1 | E1118 R1122 | E1118-N1120 PolarHBondContact O-N 3.33Å; E1118-N1120 VanDerWaalsContact O-N 3.09Å; N1120-R1122 PolarHBondContact O-N 2.95Å | ||
| 1121 | P | 30.6 | Very low | 26 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 72% | 0.721 | 73% | 0.731 | S | S | * | * | trans | -65.8 | 118.3 | -167.5 | 24.3 | -35.4 | 0 | 0 | 0 | 113.1 | R1123 | P1121-R1123 PolarHBondContact O-N 3.44Š| ||
| 1122 | R | 23.5 | Very low | 26 | Very low | 235 Ų | 235 | 146.2 Ų | 146.2 | 89% | 0.887 | 74% | 0.737 | S | S | * | * | trans | -78.8 | 100.3 | 162.6 | -74.8 | -170.5 | 176.5 | -167.1 | 0.2 | 109.4 | N1120 E1124 | N1120-R1122 PolarHBondContact O-N 2.95Å; R1122-E1124 PolarHBondContact O-N 2.9Å | ||
| 1123 | R | 23.8 | Very low | 26 | Very low | 192 Ų | 192 | 152.7 Ų | 152.7 | 73% | 0.725 | 74% | 0.743 | S | S | * | * | trans | 0.4 | 101.5 | 136.1 | -72.1 | 170.6 | 150.1 | 112 | 2.8 | 114.2 | P1121 E1125 | P1121-R1123 PolarHBondContact O-N 3.44Å; R1123-E1125 HydrophobicContact CB-CG 3.94Å; R1123-E1125 WeakPolarHBondContact CD-OE1 3.28Å; R1123-E1125 HydrophobicContact CG-CG 3.91Å; R1123-E1125 IonicContact CZ-OE1 3.64Å; R1123-E1125 VanDerWaalsContact NE-CD 3.34Å; R1123-E1125 IonicContact NE-OE1 2.69Å; R1123-E1125 PolarHBondContact NE-OE1 3.13Å; R1123-E1125 IonicContact NE-OE2 3.65Å; R1123-E1125 IonicContact NH2-OE1 3.83Å | ||
| 1124 | E | 26 | Very low | 26 | Very low | 201 Ų | 201 | 151.2 Ų | 151.2 | 94% | 0.939 | 74% | 0.74 | S | S | * | * | trans | -102.3 | 98.8 | 138.7 | -68.8 | -174.4 | 164.2 | 0 | 0 | 104.4 | R1122 | R1122-E1124 PolarHBondContact O-N 2.9Š| ||
| 1125 | E | 27.8 | Very low | 26.1 | Very low | 122 Ų | 122 | 154 Ų | 154 | 57% | 0.57 | 75% | 0.747 | S | S | * | * | trans | -85.6 | 119.6 | -174.5 | -79.2 | 168 | 145.2 | 0 | 0 | 109.7 | R1123 | R1123-E1125 HydrophobicContact CB-CG 3.94Å; R1123-E1125 WeakPolarHBondContact CD-OE1 3.28Å; R1123-E1125 HydrophobicContact CG-CG 3.91Å; R1123-E1125 IonicContact CZ-OE1 3.64Å; R1123-E1125 VanDerWaalsContact NE-CD 3.34Å; R1123-E1125 IonicContact NE-OE1 2.69Å; R1123-E1125 PolarHBondContact NE-OE1 3.13Å; R1123-E1125 IonicContact NE-OE2 3.65Å; R1123-E1125 IonicContact NH2-OE1 3.83Å | ||
| 1126 | E | 24.5 | Very low | 26 | Very low | 161 Ų | 161 | 154 Ų | 154 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | 55.8 | 71.2 | 141.5 | -60.1 | 170.6 | -179.5 | 0 | 0 | 117.6 | E1128 | E1126-E1128 PolarHBondContact O-N 2.81Å; E1126-E1128 VanDerWaalsContact O-N 3.09Å | ||
| 1127 | E | 27.8 | Very low | 25.8 | Very low | 211 Ų | 211 | 157.4 Ų | 157.4 | 99% | 0.986 | 77% | 0.77 | S | S | * | * | trans | -78.3 | 67.1 | 149.7 | -70.6 | -153.6 | 156.7 | 0 | 0 | 110.7 | ||||
| 1128 | E | 25.2 | Very low | 26.1 | Very low | 153 Ų | 153 | 162.3 Ų | 162.3 | 72% | 0.715 | 79% | 0.792 | S | S | * | * | trans | -81.6 | 153.7 | 170.8 | -97.5 | -161.3 | 154.1 | 0 | 0 | 113.2 | E1126 | E1126-E1128 PolarHBondContact O-N 2.81Å; E1126-E1128 VanDerWaalsContact O-N 3.09Å | ||
| 1129 | E | 28 | Very low | 26 | Very low | 143 Ų | 143 | 162.9 Ų | 162.9 | 67% | 0.668 | 79% | 0.794 | S | S | * | * | trans | 56 | 57.6 | 156.7 | -64.9 | -133.4 | 110.5 | 0 | 0 | 120.3 | ||||
| 1130 | V | 30.4 | Very low | 26.3 | Very low | 140 Ų | 140 | 160.7 Ų | 160.7 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -122.3 | 60.1 | 160.1 | -162.1 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1131 | S | 29.2 | Very low | 26.2 | Very low | 118 Ų | 118 | 161.9 Ų | 161.9 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -159 | -2.4 | 159.1 | -85.9 | 0 | 0 | 0 | 0 | 116.1 | R1133 | S1131-R1133 PolarHBondContact O-N 3.26Š|
| 1132 | N | 26.2 | Very low | 26.1 | Very low | 133 Ų | 133 | 165.3 Ų | 165.3 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | -96.9 | 62.3 | -178.7 | -77.1 | -32.5 | 0 | 0 | 0 | 113.4 | ||||
| 1133 | R | 24.6 | Very low | 26.2 | Very low | 226 Ų | 226 | 156.7 Ų | 156.7 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -161 | 137.9 | 166.6 | -106.1 | 153.1 | -145.3 | -144.5 | 8.8 | 112.5 | S1131 | S1131-R1133 PolarHBondContact O-N 3.26Š| ||
| 1134 | L | 23.5 | Very low | 26.4 | Very low | 144 Ų | 144 | 153.5 Ų | 153.5 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | 61.4 | 141.6 | -168.9 | -85.7 | 62.8 | 0 | 0 | 0 | 113.5 | ||||
| 1135 | F | 25.2 | Very low | 26.7 | Very low | 184 Ų | 184 | 151.3 Ų | 151.3 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | cis | -112.8 | 147 | 6.8 | -78.6 | -101.6 | 0 | 0 | 0 | 112.8 | ||||
| 1136 | S | 24.7 | Very low | 26.7 | Very low | 117 Ų | 117 | 150.1 Ų | 150.1 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -106.4 | 133.5 | 159.9 | -56 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1137 | L | 26.8 | Very low | 26.9 | Very low | 157 Ų | 157 | 145 Ų | 145 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | -153.5 | 123.5 | 161.7 | -118.3 | 163.8 | 0 | 0 | 0 | 111.2 | ||||
| 1138 | E | 28.3 | Very low | 27 | Very low | 181 Ų | 181 | 140.4 Ų | 140.4 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | trans | -34.2 | 158.6 | -172.2 | -62.8 | 169.3 | 136.8 | 0 | 0 | 120.7 | ||||
| 1139 | E | 24.6 | Very low | 27.3 | Very low | 183 Ų | 183 | 137.3 Ų | 137.3 | 86% | 0.855 | 73% | 0.725 | S | S | * | * | trans | -63.9 | 147.2 | 175.2 | -53.6 | 174.2 | 116.1 | 0 | 0 | 112.9 | ||||
| 1140 | S | 26.8 | Very low | 27.4 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 87% | 0.867 | 73% | 0.727 | S | S | * | * | trans | -145 | 147.1 | 152.7 | 59.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1141 | Q | 23.7 | Very low | 27.5 | Very low | 163 Ų | 163 | 138 Ų | 138 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | trans | -102.2 | 176.2 | -157.2 | -63 | 174.9 | -11.3 | 0 | 0 | 114.3 | ||||
| 1142 | Y | 27.9 | Very low | 27.5 | Very low | 183 Ų | 183 | 139.5 Ų | 139.5 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | trans | 97.4 | 103.5 | 152.3 | -95.1 | -83.4 | 0 | 0 | 0 | 121.2 | R1315 | Y1142-R1315 PolarHBondContact O-NH2 3.49Š| ||
| 1143 | S | 24.4 | Very low | 27.7 | Very low | 54 Ų | 54 | 139.4 Ų | 139.4 | 38% | 0.378 | 73% | 0.732 | S | S | . | * | trans | 72.1 | 130.6 | 136.1 | 61.5 | 0 | 0 | 0 | 0 | 121.7 | R1315 F1317 | S1143-R1315 PolarHBondContact O-NH1 3.03Å; S1143-R1315 PolarHBondContact OG-NH1 3.15Å; S1143-R1315 PolarHBondContact OG-NH2 3.45Å; S1143-F1317 VanDerWaalsContact O-CZ 3.29Å; S1143-F1317 WeakPolarHBondContact O-CZ 3.37Å | ||
| 1144 | D | 28.8 | Very low | 27.8 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 67% | 0.674 | 73% | 0.731 | S | S | * | * | trans | -46.3 | 160.2 | 168 | -43.9 | -94.1 | 0 | 0 | 0 | 114.7 | ||||
| 1145 | D | 32.3 | Very low | 28.2 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 82% | 0.824 | 73% | 0.733 | S | S | * | * | -154.1 | 167.3 | 120 | -123.3 | -37.1 | 0 | 0 | 0 | 110.4 | |||||
| 1146 | S | 27.8 | Very low | 28.4 | Very low | 97 Ų | 97 | 132.6 Ų | 132.6 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | trans | -116.7 | 160.1 | -152.4 | -57.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1147 | A | 29.7 | Very low | 28.5 | Very low | 55 Ų | 55 | 132.8 Ų | 132.8 | 46% | 0.455 | 73% | 0.733 | S | S | . | * | trans | 94.9 | 120.1 | 140.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | T1024 | T1024-A1147 VanDerWaalsContact OG1-CB 3.27Å; T1024-A1147 WeakPolarHBondContact OG1-CB 3.5Å | ||
| 1148 | L | 29.6 | Very low | 28.7 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 60% | 0.597 | 73% | 0.731 | S | S | * | * | trans | 25.7 | 136.4 | 130.1 | -65.6 | 162.1 | 0 | 0 | 0 | 120.1 | S1023 T1024 | S1023-L1148 WeakPolarHBondContact CA-O 3.38Å; S1023-L1148 VanDerWaalsContact CB-O 3.31Å; S1023-L1148 WeakPolarHBondContact CB-O 3.22Å; S1023-L1148 PolarHBondContact N-O 3.33Å; T1024-L1148 HydrophobicContact CG2-CB 4.4Å | ||
| 1149 | D | 30.5 | Very low | 28.8 | Very low | 88 Ų | 88 | 131.7 Ų | 131.7 | 47% | 0.471 | 74% | 0.736 | S | S | . | * | -170 | 130.5 | 99.9 | -89.9 | -33.5 | 0 | 0 | 0 | 109.3 | S1023 T1024 | S1023-D1149 WeakPolarHBondContact CA-OD2 3.47Å; S1023-D1149 PolarHBondContact N-OD2 3.38Å; T1024-D1149 VanDerWaalsContact CG2-OD1 3.27Å; T1024-D1149 WeakPolarHBondContact CG2-OD1 3.47Å; T1024-D1149 PolarHBondContact N-OD2 3.13Å | |||
| 1150 | D | 30.5 | Very low | 28.9 | Very low | 132 Ų | 132 | 126.2 Ų | 126.2 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | trans | -91.4 | 150.8 | 179.8 | -50.8 | -78.6 | 0 | 0 | 0 | 110.9 | ||||
| 1151 | D | 33.5 | Very low | 28.9 | Very low | 164 Ų | 164 | 125.4 Ų | 125.4 | 88% | 0.877 | 73% | 0.729 | S | S | * | * | trans | -151.9 | 86.6 | 170.1 | -133.5 | -15.2 | 0 | 0 | 0 | 109.7 | ||||
| 1152 | D | 29 | Very low | 29 | Very low | 151 Ų | 151 | 129.4 Ų | 129.4 | 81% | 0.807 | 74% | 0.737 | S | S | * | * | trans | -71.5 | 128.7 | 178.1 | -75.4 | -55.4 | 0 | 0 | 0 | 111.5 | ||||
| 1153 | T | 30.3 | Very low | 28.8 | Very low | 131 Ų | 131 | 125.8 Ų | 125.8 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | -151 | 87.4 | 161 | -61.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1154 | E | 26.6 | Very low | 29.1 | Very low | 178 Ų | 178 | 129.3 Ų | 129.3 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -74.6 | 128.5 | 166.8 | -70 | -160.9 | 133.2 | 0 | 0 | 111.5 | S1156 | E1154-S1156 PolarHBondContact O-N 2.99Š| ||
| 1155 | P | 31.6 | Very low | 28.9 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | trans | -85.5 | 88.6 | 171.5 | 33.4 | -32 | 0 | 0 | 0 | 110.8 | S1157 | P1155-S1157 PolarHBondContact O-N 3.25Š| ||
| 1156 | S | 29.2 | Very low | 28.5 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -67.8 | 121.2 | 178 | 51.5 | 0 | 0 | 0 | 0 | 112.5 | E1154 S1158 | E1154-S1156 PolarHBondContact O-N 2.99Å; S1156-S1158 PolarHBondContact O-N 3.43Å | ||
| 1157 | S | 27.6 | Very low | 28.5 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -97.7 | 79.6 | -171.8 | 63.1 | 0 | 0 | 0 | 0 | 113.2 | P1155 | P1155-S1157 PolarHBondContact O-N 3.25Š| ||
| 1158 | S | 29.9 | Very low | 28.3 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -100.6 | 100.9 | 175.3 | 50.7 | 0 | 0 | 0 | 0 | 112.7 | S1156 | S1156-S1158 PolarHBondContact O-N 3.43Š| ||
| 1159 | Q | 30 | Very low | 28.1 | Very low | 203 Ų | 203 | 142.4 Ų | 142.4 | 95% | 0.949 | 80% | 0.796 | S | S | * | * | trans | -85.6 | 144.5 | 158.7 | -62 | -175.7 | 6 | 0 | 0 | 108.7 | ||||
| 1160 | G | 27.9 | Very low | 28.2 | Very low | 68 Ų | 68 | 146 Ų | 146 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | cis | 177.3 | 24.3 | -1.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1162 | G1160-R1162 PolarHBondContact O-N 3.06Š| ||
| 1161 | A | 26.7 | Very low | 28.1 | Very low | 107 Ų | 107 | 144.7 Ų | 144.7 | 88% | 0.884 | 81% | 0.811 | S | S | * | * | trans | -79 | 106.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1162 | R | 26 | Very low | 27.7 | Very low | 247 Ų | 247 | 144.8 Ų | 144.8 | 93% | 0.932 | 80% | 0.803 | S | S | * | * | trans | -92 | 106.6 | -178.9 | -69.5 | -179.3 | 174.2 | -179.6 | -1.7 | 112.3 | G1160 | G1160-R1162 PolarHBondContact O-N 3.06Š| ||
| 1163 | S | 23.8 | Very low | 27.9 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | -80.5 | 153.6 | 153.5 | 49.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1164 | P | 29.3 | Very low | 28 | Very low | 128 Ų | 128 | 148.3 Ų | 148.3 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | trans | -79.5 | 140.1 | -163.2 | 29.7 | -35.2 | 0 | 0 | 0 | 114.2 | H1166 | P1164-H1166 PolarHBondContact O-N 3.28Å; P1164-H1166 VanDerWaalsContact O-N 3.15Å | ||
| 1165 | T | 25.8 | Very low | 28.2 | Very low | 136 Ų | 136 | 144.1 Ų | 144.1 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -69 | 105.8 | -178.6 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1166 | H | 24.4 | Very low | 28.7 | Very low | 177 Ų | 177 | 143 Ų | 143 | 82% | 0.819 | 79% | 0.785 | S | S | * | * | trans | -68.8 | 131.6 | 163.4 | -155.9 | -78.9 | 0 | 0 | 0 | 109.4 | P1164 | P1164-H1166 PolarHBondContact O-N 3.28Å; P1164-H1166 VanDerWaalsContact O-N 3.15Å | ||
| 1167 | K | 27.2 | Very low | 29.3 | Very low | 186 Ų | 186 | 148 Ų | 148 | 81% | 0.809 | 79% | 0.787 | S | S | * | * | trans | -70.3 | 138.9 | -179.9 | -72 | 176.8 | 178.8 | 172.9 | 0 | 110 | D1169 | K1167-D1169 PolarHBondContact O-N 3.1Š| ||
| 1168 | F | 25.3 | Very low | 29.8 | Very low | 202 Ų | 202 | 145.1 Ų | 145.1 | 89% | 0.886 | 77% | 0.771 | S | S | * | * | trans | -67 | 110.2 | 171.9 | -86.4 | -95.6 | 0 | 0 | 0 | 110 | ||||
| 1169 | D | 25.2 | Very low | 30.5 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 64% | 0.642 | 76% | 0.759 | S | S | * | * | trans | -89.7 | 105.4 | 176 | -157.8 | -32.8 | 0 | 0 | 0 | 109.6 | K1167 T1171 | K1167-D1169 PolarHBondContact O-N 3.1Å; D1169-T1171 VanDerWaalsContact CG-OG1 3.29Å; D1169-T1171 PolarHBondContact O-N 3.35Å; D1169-T1171 WeakPolarHBondContact OD1-CB 3.49Å; D1169-T1171 WeakPolarHBondContact OD1-CG2 3.34Å; D1169-T1171 PolarHBondContact OD1-OG1 2.98Å | ||
| 1170 | I | 31.9 | Very low | 31.5 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 50 | -171.4 | -43.5 | -178.6 | 0 | 0 | 0 | 110.3 | ||
| 1171 | T | 29.9 | Very low | 32.9 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 63% | 0.632 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.5 | -8.9 | -172.6 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | D1169 P1173 | D1169-T1171 VanDerWaalsContact CG-OG1 3.29Å; D1169-T1171 PolarHBondContact O-N 3.35Å; D1169-T1171 WeakPolarHBondContact OD1-CB 3.49Å; D1169-T1171 WeakPolarHBondContact OD1-CG2 3.34Å; D1169-T1171 PolarHBondContact OD1-OG1 2.98Å; T1171-P1173 VanDerWaalsContact O-CD 3.23Å; T1171-P1173 WeakPolarHBondContact O-CD 3.14Å |
| 1172 | K | 25.2 | Very low | 33.8 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 73% | 0.726 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -78.9 | 109 | 167.4 | -71.9 | -172.3 | 178.5 | -176 | 0 | 109.8 | E120 | E120-K1172 IonicContact OE1-NZ 3.71Å; E120-K1172 IonicContact OE2-NZ 3.43Å |
| 1173 | P | 31.9 | Very low | 34.8 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 141 | -179.7 | 30.5 | -35.1 | 0 | 0 | 0 | 111.9 | T1171 | T1171-P1173 VanDerWaalsContact O-CD 3.23Å; T1171-P1173 WeakPolarHBondContact O-CD 3.14Å |
| 1174 | R | 32.4 | Very low | 35.9 | Very low | 235 Ų | 235 | 134.2 Ų | 134.2 | 89% | 0.887 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 139 | 177.5 | -91.1 | -178.6 | 166.4 | 173.8 | -4.8 | 111.4 | T1176 | R1174-T1176 PolarHBondContact O-N 3.47Å; R1174-T1176 VanDerWaalsContact O-N 3.15Å |
| 1175 | P | 31.5 | Very low | 37 | Very low | 89 Ų | 89 | 130.7 Ų | 130.7 | 58% | 0.578 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 119.4 | -176 | 24.2 | -33.8 | 0 | 0 | 0 | 110.8 | F1179 | P1175-F1179 HydrophobicContact CB-CB 4.43Å; P1175-F1179 HydrophobicContact CB-CD1 4.47Å |
| 1176 | T | 42.4 | Very low | 37.9 | Very low | 100 Ų | 100 | 126.7 Ų | 126.7 | 61% | 0.613 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 159 | -177.1 | 61.9 | 0 | 0 | 0 | 0 | 111.2 | R1174 A1178 F1179 | R1174-T1176 PolarHBondContact O-N 3.47Å; R1174-T1176 VanDerWaalsContact O-N 3.15Å; T1176-A1178 PolarHBondContact O-N 2.87Å; T1176-F1179 WeakPolarHBondContact O-CB 3.33Å; T1176-F1179 PolarHBondContact O-N 3.01Å |
| 1177 | R | 42 | Very low | 38.9 | Very low | 214 Ų | 214 | 122 Ų | 122 | 81% | 0.808 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -50.6 | -23.1 | -179.1 | -168.4 | 175.6 | -177.5 | 172.2 | 1.6 | 114.3 | F1179 H1180 L1181 | R1177-F1179 VanDerWaalsContact C-N 3.31Å; R1177-F1179 PolarHBondContact O-N 2.85Å; R1177-H1180 PolarHBondContact O-N 3.34Å; R1177-L1181 HydrophobicContact CG-CD1 4.42Å; R1177-L1181 PolarHBondContact O-N 3.35Å |
| 1178 | A | 37.2 | Very low | 39.9 | Very low | 61 Ų | 61 | 120.3 Ų | 120.3 | 50% | 0.504 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -58.5 | -35.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T1176 L1181 S1182 | T1176-A1178 PolarHBondContact O-N 2.87Å; A1178-L1181 PolarHBondContact O-N 3.24Å; A1178-S1182 PolarHBondContact O-N 3.47Å; A1178-S1182 PolarHBondContact O-OG 3.13Å |
| 1179 | F | 45.1 | Very low | 40.8 | Very low | 122 Ų | 122 | 116.3 Ų | 116.3 | 54% | 0.535 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.5 | -40.5 | -179.8 | -176.8 | -103.5 | 0 | 0 | 0 | 112.7 | P1175 T1176 R1177 L1181 S1182 K1183 | P1175-F1179 HydrophobicContact CB-CB 4.43Å; P1175-F1179 HydrophobicContact CB-CD1 4.47Å; T1176-F1179 WeakPolarHBondContact O-CB 3.33Å; T1176-F1179 PolarHBondContact O-N 3.01Å; R1177-F1179 VanDerWaalsContact C-N 3.31Å; R1177-F1179 PolarHBondContact O-N 2.85Å; F1179-L1181 VanDerWaalsContact C-N 3.34Å; F1179-S1182 PolarHBondContact O-N 3.23Å; F1179-S1182 PolarHBondContact O-OG 3.4Å; F1179-K1183 WeakPolarHBondContact O-CB 3.36Å; F1179-K1183 PolarHBondContact O-N 3.21Å |
| 1180 | H | 49.8 | Very low | 41.3 | Very low | 118 Ų | 118 | 116.4 Ų | 116.4 | 55% | 0.546 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.4 | -34.4 | 174.1 | -65.5 | -90.1 | 0 | 0 | 0 | 111.7 | R1177 A1184 | R1177-H1180 PolarHBondContact O-N 3.34Å; H1180-A1184 WeakPolarHBondContact O-CB 3.47Å; H1180-A1184 PolarHBondContact O-N 3.13Å |
| 1181 | L | 57.9 | Low | 41.5 | Very low | 112 Ų | 112 | 114.4 Ų | 114.4 | 59% | 0.586 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.6 | -39.5 | 173.3 | -83.7 | 160.6 | 0 | 0 | 0 | 112.6 | R1177 A1178 F1179 A1184 A1185 | R1177-L1181 HydrophobicContact CG-CD1 4.42Å; R1177-L1181 PolarHBondContact O-N 3.35Å; A1178-L1181 PolarHBondContact O-N 3.24Å; F1179-L1181 VanDerWaalsContact C-N 3.34Å; L1181-A1184 PolarHBondContact O-N 3Å; L1181-A1185 VanDerWaalsContact O-CB 3.31Å; L1181-A1185 WeakPolarHBondContact O-CB 3.47Å; L1181-A1185 PolarHBondContact O-N 3.47Å |
| 1182 | S | 45.9 | Very low | 42.3 | Very low | 64 Ų | 64 | 112.6 Ų | 112.6 | 45% | 0.448 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70.5 | -39 | 175.8 | 65.9 | 0 | 0 | 0 | 0 | 111.9 | A1178 F1179 A1184 A1185 A1186 | A1178-S1182 PolarHBondContact O-N 3.47Å; A1178-S1182 PolarHBondContact O-OG 3.13Å; F1179-S1182 PolarHBondContact O-N 3.23Å; F1179-S1182 PolarHBondContact O-OG 3.4Å; S1182-A1184 PolarHBondContact O-N 3.38Å; S1182-A1185 PolarHBondContact O-N 2.77Å; S1182-A1186 WeakPolarHBondContact O-CB 3.45Å; S1182-A1186 PolarHBondContact O-N 2.88Å |
| 1183 | K | 46.7 | Very low | 43 | Very low | 140 Ų | 140 | 108.7 Ų | 108.7 | 61% | 0.609 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.1 | -45.8 | 171 | -168 | 171.1 | -175.5 | 174.6 | 0 | 111.3 | F1179 A1186 V1187 | F1179-K1183 WeakPolarHBondContact O-CB 3.36Å; F1179-K1183 PolarHBondContact O-N 3.21Å; K1183-A1186 PolarHBondContact O-N 3.28Å; K1183-V1187 WeakPolarHBondContact O-CG2 3.12Å; K1183-V1187 PolarHBondContact O-N 3.05Å |
| 1184 | A | 47.1 | Very low | 43.3 | Very low | 59 Ų | 59 | 109.1 Ų | 109.1 | 49% | 0.488 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.6 | -38.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | H1180 L1181 S1182 K1188 | H1180-A1184 WeakPolarHBondContact O-CB 3.47Å; H1180-A1184 PolarHBondContact O-N 3.13Å; L1181-A1184 PolarHBondContact O-N 3Å; S1182-A1184 PolarHBondContact O-N 3.38Å; A1184-K1188 WeakPolarHBondContact O-CB 3.44Å; A1184-K1188 PolarHBondContact O-N 3.35Å |
| 1185 | A | 53.3 | Low | 43.6 | Very low | 53 Ų | 53 | 105.8 Ų | 105.8 | 44% | 0.438 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.8 | -36.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1181 S1182 K1188 K1189 | L1181-A1185 VanDerWaalsContact O-CB 3.31Å; L1181-A1185 WeakPolarHBondContact O-CB 3.47Å; L1181-A1185 PolarHBondContact O-N 3.47Å; S1182-A1185 PolarHBondContact O-N 2.77Å; A1185-K1188 CarbonylContact O-C 3.52Å; A1185-K1188 PolarHBondContact O-N 2.95Å; A1185-K1189 PolarHBondContact O-N 3.23Å |
| 1186 | A | 43 | Very low | 43.7 | Very low | 53 Ų | 53 | 105.1 Ų | 105.1 | 44% | 0.438 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.5 | -47.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S1182 K1183 K1188 K1189 L1190 | S1182-A1186 WeakPolarHBondContact O-CB 3.45Å; S1182-A1186 PolarHBondContact O-N 2.88Å; K1183-A1186 PolarHBondContact O-N 3.28Å; A1186-K1188 VanDerWaalsContact C-N 3.27Å; A1186-K1188 PolarHBondContact O-N 2.77Å; A1186-K1189 PolarHBondContact O-N 3.07Å; A1186-K1189 VanDerWaalsContact O-N 3.15Å; A1186-L1190 PolarHBondContact O-N 2.76Å |
| 1187 | V | 46.4 | Very low | 43.3 | Very low | 77 Ų | 77 | 105.6 Ų | 105.6 | 47% | 0.467 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -57.9 | -40.8 | 171.9 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | K1183 L1190 L1191 | K1183-V1187 WeakPolarHBondContact O-CG2 3.12Å; K1183-V1187 PolarHBondContact O-N 3.05Å; V1187-L1190 PolarHBondContact O-N 2.98Å; V1187-L1191 HydrophobicContact CG1-CD1 3.85Å; V1187-L1191 HydrophobicContact CG1-CG 4.44Å; V1187-L1191 WeakPolarHBondContact O-CB 3.39Å; V1187-L1191 VanDerWaalsContact O-CG 3.31Å; V1187-L1191 WeakPolarHBondContact O-CG 3.29Å; V1187-L1191 PolarHBondContact O-N 2.91Å |
| 1188 | K | 47.8 | Very low | 42.9 | Very low | 151 Ų | 151 | 106.5 Ų | 106.5 | 66% | 0.657 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69 | -32.7 | 176.9 | -162.9 | 170.7 | -174.5 | 174.5 | 0 | 113.3 | A1184 A1185 A1186 T1192 | A1184-K1188 WeakPolarHBondContact O-CB 3.44Å; A1184-K1188 PolarHBondContact O-N 3.35Å; A1185-K1188 CarbonylContact O-C 3.52Å; A1185-K1188 PolarHBondContact O-N 2.95Å; A1186-K1188 VanDerWaalsContact C-N 3.27Å; A1186-K1188 PolarHBondContact O-N 2.77Å; K1188-T1192 WeakPolarHBondContact O-CB 3.5Å; K1188-T1192 WeakPolarHBondContact O-CG2 3.45Å; K1188-T1192 PolarHBondContact O-N 2.96Å; K1188-T1192 PolarHBondContact O-OG1 2.98Å |
| 1189 | K | 43.6 | Very low | 42.7 | Very low | 118 Ų | 118 | 107 Ų | 107 | 51% | 0.513 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.6 | -44.3 | 171.2 | -78.4 | -161.5 | 170.8 | -166.3 | 0 | 111 | E273 A1185 A1186 L1191 T1192 I1193 | E273-K1189 IonicContact OE1-NZ 2.62Å; E273-K1189 PolarHBondContact OE1-NZ 3.37Å; A1185-K1189 PolarHBondContact O-N 3.23Å; A1186-K1189 PolarHBondContact O-N 3.07Å; A1186-K1189 VanDerWaalsContact O-N 3.15Å; K1189-L1191 PolarHBondContact O-N 3.27Å; K1189-T1192 WeakPolarHBondContact CA-OG1 3.42Å; K1189-T1192 PolarHBondContact O-N 3.17Å; K1189-T1192 PolarHBondContact O-OG1 3.08Å; K1189-I1193 WeakPolarHBondContact O-CG1 3.38Å; K1189-I1193 PolarHBondContact O-N 2.83Å |
| 1190 | L | 37.1 | Very low | 42 | Very low | 122 Ų | 122 | 108.1 Ų | 108.1 | 64% | 0.639 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -54.6 | -50.8 | 172.5 | -74.1 | 164.6 | 0 | 0 | 0 | 111.6 | A1186 V1187 T1192 | A1186-L1190 PolarHBondContact O-N 2.76Å; V1187-L1190 PolarHBondContact O-N 2.98Å; L1190-T1192 PolarHBondContact O-N 3.08Å |
| 1191 | L | 35.8 | Very low | 41 | Very low | 123 Ų | 123 | 110.1 Ų | 110.1 | 64% | 0.644 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -69.4 | 1.2 | 177.4 | -66.6 | 172 | 0 | 0 | 0 | 115.3 | V1187 K1189 | V1187-L1191 HydrophobicContact CG1-CD1 3.85Å; V1187-L1191 HydrophobicContact CG1-CG 4.44Å; V1187-L1191 WeakPolarHBondContact O-CB 3.39Å; V1187-L1191 VanDerWaalsContact O-CG 3.31Å; V1187-L1191 WeakPolarHBondContact O-CG 3.29Å; V1187-L1191 PolarHBondContact O-N 2.91Å; K1189-L1191 PolarHBondContact O-N 3.27Å |
| 1192 | T | 45.7 | Very low | 39.6 | Very low | 65 Ų | 65 | 109.2 Ų | 109.2 | 40% | 0.399 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -124 | -14.7 | 177.8 | 50.6 | 0 | 0 | 0 | 0 | 115.2 | K1188 K1189 L1190 D1194 K1195 | K1188-T1192 WeakPolarHBondContact O-CB 3.5Å; K1188-T1192 WeakPolarHBondContact O-CG2 3.45Å; K1188-T1192 PolarHBondContact O-N 2.96Å; K1188-T1192 PolarHBondContact O-OG1 2.98Å; K1189-T1192 WeakPolarHBondContact CA-OG1 3.42Å; K1189-T1192 PolarHBondContact O-N 3.17Å; K1189-T1192 PolarHBondContact O-OG1 3.08Å; L1190-T1192 PolarHBondContact O-N 3.08Å; T1192-D1194 PolarHBondContact O-N 3.28Å; T1192-K1195 PolarHBondContact O-N 3.15Å |
| 1193 | I | 40.9 | Very low | 38.6 | Very low | 86 Ų | 86 | 116 Ų | 116 | 44% | 0.441 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -56.2 | -37.6 | 172.7 | -78.1 | 161.2 | 0 | 0 | 0 | 111.8 | K1189 K1195 S1196 | K1189-I1193 WeakPolarHBondContact O-CG1 3.38Å; K1189-I1193 PolarHBondContact O-N 2.83Å; I1193-K1195 PolarHBondContact O-N 2.74Å; I1193-K1195 VanDerWaalsContact O-N 3.11Å; I1193-S1196 PolarHBondContact O-N 3.16Å; I1193-S1196 PolarHBondContact O-OG 2.99Å |
| 1194 | D | 37.4 | Very low | 37.8 | Very low | 130 Ų | 130 | 114.1 Ų | 114.1 | 70% | 0.695 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -60.7 | -18.8 | 175.3 | -78 | -14.9 | 0 | 0 | 0 | 114.6 | T1192 | T1192-D1194 PolarHBondContact O-N 3.28Å |
| 1195 | K | 39.5 | Very low | 36.8 | Very low | 164 Ų | 164 | 119.2 Ų | 119.2 | 71% | 0.713 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -93.7 | -28.6 | -179.4 | -70.1 | 176 | -179.4 | 166.2 | 0 | 113 | T1192 I1193 | T1192-K1195 PolarHBondContact O-N 3.15Å; I1193-K1195 PolarHBondContact O-N 2.74Å; I1193-K1195 VanDerWaalsContact O-N 3.11Å |
| 1196 | S | 33.1 | Very low | 35.5 | Very low | 75 Ų | 75 | 120 Ų | 120 | 52% | 0.524 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -75.4 | -36.4 | 177.9 | 44 | 0 | 0 | 0 | 0 | 113.4 | I1193 R1198 A1199 | I1193-S1196 PolarHBondContact O-N 3.16Å; I1193-S1196 PolarHBondContact O-OG 2.99Å; S1196-R1198 PolarHBondContact O-N 2.89Å; S1196-R1198 VanDerWaalsContact O-N 3.13Å; S1196-A1199 PolarHBondContact O-N 3.48Å |
| 1197 | N | 34.1 | Very low | 34.7 | Very low | 110 Ų | 110 | 127.8 Ų | 127.8 | 59% | 0.588 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -16.9 | -177.3 | -77.2 | -12 | 0 | 0 | 0 | 114 | A1199 | N1197-A1199 VanDerWaalsContact C-N 3.31Å; N1197-A1199 PolarHBondContact O-N 3.11Å |
| 1198 | R | 32.5 | Very low | 33.6 | Very low | 234 Ų | 234 | 133 Ų | 133 | 88% | 0.883 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -5.6 | 177.2 | -88.4 | -174 | 173 | 178.5 | 0.7 | 115.3 | S1196 | S1196-R1198 PolarHBondContact O-N 2.89Å; S1196-R1198 VanDerWaalsContact O-N 3.13Å |
| 1199 | A | 34.9 | Very low | 32.6 | Very low | 71 Ų | 71 | 136.6 Ų | 136.6 | 59% | 0.587 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -86 | -32.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | S1196 N1197 | S1196-A1199 PolarHBondContact O-N 3.48Å; N1197-A1199 VanDerWaalsContact C-N 3.31Å; N1197-A1199 PolarHBondContact O-N 3.11Å |
| 1200 | N | 30.2 | Very low | 31.6 | Very low | 145 Ų | 145 | 140.6 Ų | 140.6 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -104.6 | -14.6 | -160.9 | -76 | -0.3 | 0 | 0 | 0 | 116.6 | S1202 | N1200-S1202 PolarHBondContact O-N 3.38Š|
| 1201 | N | 27.9 | Very low | 30.9 | Very low | 160 Ų | 160 | 139.3 Ų | 139.3 | 86% | 0.856 | 72% | 0.717 | S | S | * | * | trans | -100.4 | 55 | -175.9 | -76.9 | -2 | 0 | 0 | 0 | 113.1 | ||||
| 1202 | S | 28.1 | Very low | 30.4 | Very low | 94 Ų | 94 | 139.1 Ų | 139.1 | 66% | 0.657 | 72% | 0.721 | S | S | * | * | trans | -96.7 | 23.8 | -175 | 76.9 | 0 | 0 | 0 | 0 | 115.5 | N1200 | N1200-S1202 PolarHBondContact O-N 3.38Š| ||
| 1203 | F | 26.1 | Very low | 29.4 | Very low | 206 Ų | 206 | 140.9 Ų | 140.9 | 90% | 0.904 | 73% | 0.731 | S | S | * | * | trans | -147.9 | 61.5 | -178.3 | -93.4 | -67.6 | 0 | 0 | 0 | 114.8 | ||||
| 1204 | A | 29.1 | Very low | 28.8 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | trans | -150 | 141.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1205 | N | 25.5 | Very low | 28.1 | Very low | 167 Ų | 167 | 139.2 Ų | 139.2 | 89% | 0.893 | 74% | 0.743 | S | S | * | * | trans | -84.8 | 150.1 | 177.8 | -66.3 | -46.1 | 0 | 0 | 0 | 110.9 | ||||
| 1206 | G | 27.2 | Very low | 27.4 | Very low | 70 Ų | 70 | 136.4 Ų | 136.4 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | trans | -178.5 | -27.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | F1208 | G1206-F1208 PolarHBondContact O-N 2.86Š| ||
| 1207 | Y | 26.5 | Very low | 27 | Very low | 215 Ų | 215 | 137.1 Ų | 137.1 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | 53.1 | 39.4 | 172.1 | -81.5 | -77.1 | 0 | 0 | 0 | 118.1 | R1209 | Y1207-R1209 VanDerWaalsContact C-N 3.27Å; Y1207-R1209 PolarHBondContact O-N 3.43Å | ||
| 1208 | F | 22.9 | Very low | 26.6 | Very low | 188 Ų | 188 | 137.1 Ų | 137.1 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | -76.7 | 80.7 | 161.4 | -147.6 | -81.9 | 0 | 0 | 0 | 110.7 | G1206 R1210 | G1206-F1208 PolarHBondContact O-N 2.86Å; F1208-R1210 VanDerWaalsContact C-N 3.27Å; F1208-R1210 HydrophobicContact CD1-CG 3.97Å; F1208-R1210 HydrophobicContact CE1-CG 3.95Å; F1208-R1210 PolarHBondContact O-N 3.2Å | ||
| 1209 | R | 25.9 | Very low | 26.3 | Very low | 225 Ų | 225 | 137 Ų | 137 | 85% | 0.849 | 75% | 0.752 | S | S | * | * | trans | -69.1 | 88.3 | 162.9 | -87.8 | -165.6 | 176.4 | -163.2 | 1.4 | 108.3 | Y1207 S1211 | Y1207-R1209 VanDerWaalsContact C-N 3.27Å; Y1207-R1209 PolarHBondContact O-N 3.43Å; R1209-S1211 PolarHBondContact O-N 2.92Å | ||
| 1210 | R | 23 | Very low | 26 | Very low | 203 Ų | 203 | 138.7 Ų | 138.7 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | trans | -52.5 | 132.8 | 149.3 | -82.8 | -167.4 | 175.8 | -163.8 | -1.7 | 106.6 | F1208 T1212 | F1208-R1210 VanDerWaalsContact C-N 3.27Å; F1208-R1210 HydrophobicContact CD1-CG 3.97Å; F1208-R1210 HydrophobicContact CE1-CG 3.95Å; F1208-R1210 PolarHBondContact O-N 3.2Å; R1210-T1212 PolarHBondContact O-N 2.98Å | ||
| 1211 | S | 23.2 | Very low | 25.8 | Very low | 94 Ų | 94 | 135.1 Ų | 135.1 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | trans | -76.1 | 64.8 | 177.7 | -158.4 | 0 | 0 | 0 | 0 | 111 | R1209 T1213 | R1209-S1211 PolarHBondContact O-N 2.92Å; S1211-T1213 PolarHBondContact O-N 2.96Å; S1211-T1213 PolarHBondContact O-OG1 2.96Å; S1211-T1213 PolarHBondContact OG-OG1 3.49Å | ||
| 1212 | T | 25.2 | Very low | 26 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | trans | -71.5 | 61.3 | 145.8 | 63.4 | 0 | 0 | 0 | 0 | 108.5 | R1210 A1214 | R1210-T1212 PolarHBondContact O-N 2.98Å; T1212-A1214 PolarHBondContact O-N 3.15Å | ||
| 1213 | T | 25.3 | Very low | 26 | Very low | 101 Ų | 101 | 138.4 Ų | 138.4 | 62% | 0.62 | 75% | 0.748 | S | S | * | * | trans | -62 | 62.2 | 130.3 | 46.5 | 0 | 0 | 0 | 0 | 108.1 | S1211 S1215 | S1211-T1213 PolarHBondContact O-N 2.96Å; S1211-T1213 PolarHBondContact O-OG1 2.96Å; S1211-T1213 PolarHBondContact OG-OG1 3.49Å; T1213-S1215 PolarHBondContact O-N 3.4Å | ||
| 1214 | A | 26.4 | Very low | 26.2 | Very low | 86 Ų | 86 | 134.3 Ų | 134.3 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | trans | -56.3 | 94.8 | 136.4 | 0 | 0 | 0 | 0 | 0 | 103 | T1212 S1216 | T1212-A1214 PolarHBondContact O-N 3.15Å; A1214-S1216 PolarHBondContact O-N 3.14Å | ||
| 1215 | S | 24.3 | Very low | 26.2 | Very low | 96 Ų | 96 | 132 Ų | 132 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | trans | -55.6 | 116.9 | -173.8 | -72.4 | 0 | 0 | 0 | 0 | 106.7 | T1213 S1217 | T1213-S1215 PolarHBondContact O-N 3.4Å; S1215-S1217 PolarHBondContact O-N 2.69Å | ||
| 1216 | S | 24 | Very low | 26.7 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | trans | -61.4 | 70.4 | 136.3 | 59.9 | 0 | 0 | 0 | 0 | 106.7 | A1214 V1218 | A1214-S1216 PolarHBondContact O-N 3.14Å; S1216-V1218 PolarHBondContact O-N 3.13Å | ||
| 1217 | S | 24.5 | Very low | 27 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 63% | 0.629 | 69% | 0.686 | S | S | * | * | trans | -46.6 | 94.6 | 133.4 | 174.7 | 0 | 0 | 0 | 0 | 103.1 | S1215 R1219 | S1215-S1217 PolarHBondContact O-N 2.69Å; S1217-R1219 VanDerWaalsContact C-N 3.31Å; S1217-R1219 PolarHBondContact O-N 3.34Å | ||
| 1218 | V | 27 | Very low | 27.5 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 66% | 0.661 | 67% | 0.671 | S | S | * | * | trans | -51.2 | 113.2 | 165.3 | 176.5 | 0 | 0 | 0 | 0 | 101.7 | S1216 V1220 | S1216-V1218 PolarHBondContact O-N 3.13Å; V1218-V1220 HydrophobicContact CB-CG2 4.28Å; V1218-V1220 HydrophobicContact CG1-CG2 3.81Å; V1218-V1220 PolarHBondContact O-N 2.76Å | ||
| 1219 | R | 24.7 | Very low | 28.2 | Very low | 233 Ų | 233 | 118.2 Ų | 118.2 | 88% | 0.879 | 65% | 0.652 | S | S | * | * | trans | -68.8 | 70.6 | 167.9 | -66.1 | -171.2 | -168.7 | 177.7 | 2.9 | 106.5 | S1217 A1221 | S1217-R1219 VanDerWaalsContact C-N 3.31Å; S1217-R1219 PolarHBondContact O-N 3.34Å; R1219-A1221 PolarHBondContact O-N 3.2Å | ||
| 1220 | V | 28.8 | Very low | 28.7 | Very low | 106 Ų | 106 | 113.7 Ų | 113.7 | 64% | 0.642 | 64% | 0.639 | S | S | * | * | trans | -54.2 | 92.2 | 143.8 | -176 | 0 | 0 | 0 | 0 | 102.5 | V1218 K1222 | V1218-V1220 HydrophobicContact CB-CG2 4.28Å; V1218-V1220 HydrophobicContact CG1-CG2 3.81Å; V1218-V1220 PolarHBondContact O-N 2.76Å; V1220-K1222 HydrophobicContact CG1-CG 4.14Å; V1220-K1222 PolarHBondContact O-N 3.32Å | ||
| 1221 | A | 26.6 | Very low | 29.6 | Very low | 69 Ų | 69 | 105.1 Ų | 105.1 | 57% | 0.57 | 61% | 0.608 | S | S | * | * | trans | -68.4 | 71.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | R1219 N1223 | R1219-A1221 PolarHBondContact O-N 3.2Å; A1221-N1223 WeakPolarHBondContact CB-OD1 3.42Å; A1221-N1223 PolarHBondContact O-N 3.09Å; A1221-N1223 PolarHBondContact O-OD1 3.32Å | ||
| 1222 | K | 31.2 | Very low | 30.5 | Very low | 174 Ų | 174 | 107 Ų | 107 | 76% | 0.757 | 61% | 0.607 | S | S | * | * | trans | -51.8 | 100.5 | 140.9 | -73.4 | -173.8 | 178.2 | -179.2 | 0 | 102.7 | V1220 K1224 | V1220-K1222 HydrophobicContact CG1-CG 4.14Å; V1220-K1222 PolarHBondContact O-N 3.32Å; K1222-K1224 PolarHBondContact O-N 3.32Å | ||
| 1223 | N | 28.6 | Very low | 31.3 | Very low | 150 Ų | 150 | 105 Ų | 105 | 80% | 0.802 | 60% | 0.597 | S | S | * | * | trans | -72 | 65.8 | -177.5 | -74.2 | -25 | 0 | 0 | 0 | 109.2 | A1221 G1225 | A1221-N1223 WeakPolarHBondContact CB-OD1 3.42Å; A1221-N1223 PolarHBondContact O-N 3.09Å; A1221-N1223 PolarHBondContact O-OD1 3.32Å; N1223-G1225 PolarHBondContact O-N 3.42Å | ||
| 1224 | K | 29.4 | Very low | 32 | Very low | 119 Ų | 119 | 106.1 Ų | 106.1 | 52% | 0.517 | 59% | 0.594 | S | S | . | * | trans | -64 | 91.3 | 149.9 | -67.9 | -162.3 | 175.3 | -165.9 | 0 | 105.1 | K1222 E1387 | K1222-K1224 PolarHBondContact O-N 3.32Å; K1224-E1387 IonicContact NZ-OE1 2.8Å; K1224-E1387 PolarHBondContact NZ-OE1 2.88Å; K1224-E1387 IonicContact NZ-OE2 2.85Å; K1224-E1387 PolarHBondContact NZ-OE2 3.47Å | ||
| 1225 | G | 29.9 | Very low | 32.4 | Very low | 51 Ų | 51 | 105.1 Ų | 105.1 | 53% | 0.526 | 58% | 0.58 | S | S | . | * | trans | -58.1 | 159.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | N1223 H1227 | N1223-G1225 PolarHBondContact O-N 3.42Å; G1225-H1227 PolarHBondContact O-N 3.23Å | ||
| 1226 | D | 36.2 | Very low | 33 | Very low | 124 Ų | 124 | 104.4 Ų | 104.4 | 66% | 0.663 | 58% | 0.576 | S | S | * | * | trans | -40.7 | 123.6 | -171.8 | -66.6 | -65.5 | 0 | 0 | 0 | 112.1 | L1228 A1229 F1230 | D1226-L1228 CarbonylContact O-C 3.53Å; D1226-L1228 PolarHBondContact O-N 3.47Å; D1226-L1228 VanDerWaalsContact O-N 3.08Å; D1226-A1229 HydrophobicContact CB-CB 4.23Å; D1226-A1229 WeakPolarHBondContact O-CA 3.33Å; D1226-A1229 WeakPolarHBondContact O-CB 3.49Å; D1226-A1229 PolarHBondContact O-N 2.87Å; D1226-F1230 PolarHBondContact O-N 3.42Å | ||
| 1227 | H | 33.6 | Very low | 33.4 | Very low | 75 Ų | 75 | 101.6 Ų | 101.6 | 35% | 0.347 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -57.3 | -30.8 | -176.4 | -79.2 | -109.5 | 0 | 0 | 0 | 111.4 | G1225 F1230 I1231 E1387 | G1225-H1227 PolarHBondContact O-N 3.23Å; H1227-F1230 PolarHBondContact O-N 2.91Å; H1227-I1231 WeakPolarHBondContact O-CB 3.23Å; H1227-I1231 VanDerWaalsContact O-CG1 3.23Å; H1227-I1231 WeakPolarHBondContact O-CG1 3.44Å; H1227-I1231 PolarHBondContact O-N 3.45Å; H1227-E1387 IonicContact CE1-OE2 2.66Å; H1227-E1387 PolarHBondContact CE1-OE2 2.75Å |
| 1228 | L | 36.2 | Very low | 33.7 | Very low | 100 Ų | 100 | 105.9 Ų | 105.9 | 52% | 0.524 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -55.2 | -54.9 | 167 | -77.5 | 137.9 | 0 | 0 | 0 | 112.5 | D1226 F1230 I1231 E1232 | D1226-L1228 CarbonylContact O-C 3.53Å; D1226-L1228 PolarHBondContact O-N 3.47Å; D1226-L1228 VanDerWaalsContact O-N 3.08Å; L1228-F1230 VanDerWaalsContact C-N 3.31Å; L1228-F1230 PolarHBondContact O-N 3.43Å; L1228-I1231 PolarHBondContact O-N 3.31Å; L1228-E1232 WeakPolarHBondContact O-CB 3.47Å; L1228-E1232 WeakPolarHBondContact O-CG 3.23Å; L1228-E1232 PolarHBondContact O-N 3.48Å |
| 1229 | A | 38.6 | Very low | 34 | Very low | 53 Ų | 53 | 107.7 Ų | 107.7 | 44% | 0.438 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.7 | -32.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D1226 S1233 | D1226-A1229 HydrophobicContact CB-CB 4.23Å; D1226-A1229 WeakPolarHBondContact O-CA 3.33Å; D1226-A1229 WeakPolarHBondContact O-CB 3.49Å; D1226-A1229 PolarHBondContact O-N 2.87Å; A1229-S1233 WeakPolarHBondContact O-CB 3.4Å; A1229-S1233 PolarHBondContact O-N 2.78Å; A1229-S1233 VanDerWaalsContact O-N 3.1Å |
| 1230 | F | 36.7 | Very low | 34.5 | Very low | 130 Ų | 130 | 105.5 Ų | 105.5 | 57% | 0.57 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.5 | -38.2 | 173.4 | -176 | -105.5 | 0 | 0 | 0 | 112.3 | D1226 H1227 L1228 S1233 K1234 | D1226-F1230 PolarHBondContact O-N 3.42Å; H1227-F1230 PolarHBondContact O-N 2.91Å; L1228-F1230 VanDerWaalsContact C-N 3.31Å; L1228-F1230 PolarHBondContact O-N 3.43Å; F1230-S1233 WeakPolarHBondContact O-CB 3.3Å; F1230-K1234 WeakPolarHBondContact O-CB 3.42Å; F1230-K1234 PolarHBondContact O-N 3.33Å |
| 1231 | I | 41.9 | Very low | 34.5 | Very low | 23 Ų | 23 | 109.5 Ų | 109.5 | 12% | 0.118 | 59% | 0.585 | C | S | . | * | H | α-helix | trans | -77.9 | -39.8 | 178.4 | -68.2 | 167.4 | 0 | 0 | 0 | 111.4 | H1227 L1228 S1233 K1234 C1235 L1388 W1391 | H1227-I1231 WeakPolarHBondContact O-CB 3.23Å; H1227-I1231 VanDerWaalsContact O-CG1 3.23Å; H1227-I1231 WeakPolarHBondContact O-CG1 3.44Å; H1227-I1231 PolarHBondContact O-N 3.45Å; L1228-I1231 PolarHBondContact O-N 3.31Å; I1231-S1233 VanDerWaalsContact C-N 3.26Å; I1231-S1233 PolarHBondContact O-N 3.34Å; I1231-K1234 PolarHBondContact O-N 2.87Å; I1231-C1235 WeakPolarHBondContact O-CB 2.97Å; I1231-C1235 PolarHBondContact O-N 3.14Å; I1231-C1235 PolarHBondContact O-SG 3.42Å; I1231-L1388 HydrophobicContact CD1-CD1 3.78Å; I1231-L1388 HydrophobicContact CG1-CD1 4.15Å; I1231-W1391 HydrophobicContact CD1-CB 4.25Å; I1231-W1391 HydrophobicContact CD1-CD2 3.64Å; I1231-W1391 HydrophobicContact CD1-CE3 4.14Å; I1231-W1391 HydrophobicContact CD1-CG 3.64Å |
| 1232 | E | 40.7 | Very low | 34.5 | Very low | 134 Ų | 134 | 114.2 Ų | 114.2 | 63% | 0.626 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -56 | -42.4 | 170 | -76 | 178.4 | 173.4 | 0 | 0 | 111 | L1228 S1236 | L1228-E1232 WeakPolarHBondContact O-CB 3.47Å; L1228-E1232 WeakPolarHBondContact O-CG 3.23Å; L1228-E1232 PolarHBondContact O-N 3.48Å; E1232-S1236 VanDerWaalsContact O-CB 3.27Å; E1232-S1236 WeakPolarHBondContact O-CB 3.43Å; E1232-S1236 PolarHBondContact O-N 2.82Å; E1232-S1236 PolarHBondContact O-OG 3.46Å |
| 1233 | S | 42.7 | Very low | 34.4 | Very low | 76 Ų | 76 | 113.4 Ų | 113.4 | 53% | 0.531 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.2 | -44.6 | 170.8 | 165.2 | 0 | 0 | 0 | 0 | 113 | A1229 F1230 I1231 S1236 G1237 | A1229-S1233 WeakPolarHBondContact O-CB 3.4Å; A1229-S1233 PolarHBondContact O-N 2.78Å; A1229-S1233 VanDerWaalsContact O-N 3.1Å; F1230-S1233 WeakPolarHBondContact O-CB 3.3Å; I1231-S1233 VanDerWaalsContact C-N 3.26Å; I1231-S1233 PolarHBondContact O-N 3.34Å; S1233-S1236 PolarHBondContact O-OG 3.29Å; S1233-G1237 PolarHBondContact O-N 2.99Å |
| 1234 | K | 39.7 | Very low | 34.5 | Very low | 126 Ų | 126 | 114.3 Ų | 114.3 | 55% | 0.548 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -72.6 | -37 | -177.8 | -157.3 | -179.7 | -177.2 | -170 | 0 | 112.8 | F1230 I1231 G1237 | F1230-K1234 WeakPolarHBondContact O-CB 3.42Å; F1230-K1234 PolarHBondContact O-N 3.33Å; I1231-K1234 PolarHBondContact O-N 2.87Å; K1234-G1237 PolarHBondContact O-N 2.97Å |
| 1235 | C | 34.3 | Very low | 34.4 | Very low | 64 Ų | 64 | 120.5 Ų | 120.5 | 43% | 0.432 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -74.5 | -46.8 | 179.3 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | I1231 G1237 K1238 | I1231-C1235 WeakPolarHBondContact O-CB 2.97Å; I1231-C1235 PolarHBondContact O-N 3.14Å; I1231-C1235 PolarHBondContact O-SG 3.42Å; C1235-G1237 PolarHBondContact O-N 3.41Å; C1235-G1237 VanDerWaalsContact O-N 3.1Å; C1235-K1238 PolarHBondContact O-N 2.97Å |
| 1236 | S | 38.5 | Very low | 34.2 | Very low | 82 Ų | 82 | 126.9 Ų | 126.9 | 57% | 0.573 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.4 | -11.2 | 174 | 63.1 | 0 | 0 | 0 | 0 | 114.1 | E1232 S1233 | E1232-S1236 VanDerWaalsContact O-CB 3.27Å; E1232-S1236 WeakPolarHBondContact O-CB 3.43Å; E1232-S1236 PolarHBondContact O-N 2.82Å; E1232-S1236 PolarHBondContact O-OG 3.46Å; S1233-S1236 PolarHBondContact O-OG 3.29Å |
| 1237 | G | 32.4 | Very low | 34 | Very low | 45 Ų | 45 | 127 Ų | 127 | 46% | 0.464 | 64% | 0.641 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.9 | -24.8 | 176 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1233 K1234 C1235 | S1233-G1237 PolarHBondContact O-N 2.99Å; K1234-G1237 PolarHBondContact O-N 2.97Å; C1235-G1237 PolarHBondContact O-N 3.41Å; C1235-G1237 VanDerWaalsContact O-N 3.1Å |
| 1238 | K | 30.7 | Very low | 33.8 | Very low | 181 Ų | 181 | 130.2 Ų | 130.2 | 79% | 0.787 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -75.2 | -31.3 | -174.5 | -78.8 | -176.6 | 175.8 | 175.6 | 0 | 113.8 | C1235 K1240 | C1235-K1238 PolarHBondContact O-N 2.97Å; K1238-K1240 PolarHBondContact O-N 2.95Å; K1238-K1240 VanDerWaalsContact O-N 3.15Å |
| 1239 | D | 33 | Very low | 33.4 | Very low | 146 Ų | 146 | 129.3 Ų | 129.3 | 78% | 0.781 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -76.9 | 4.9 | -176.5 | -77.6 | -9.7 | 0 | 0 | 0 | 115.1 | ||
| 1240 | K | 34.4 | Very low | 33.2 | Very low | 188 Ų | 188 | 133 Ų | 133 | 82% | 0.817 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -120.7 | 16.6 | -175 | -80.8 | -175.9 | 176.8 | 172.1 | 0 | 116.5 | K1238 | K1238-K1240 PolarHBondContact O-N 2.95Å; K1238-K1240 VanDerWaalsContact O-N 3.15Å |
| 1241 | Q | 29.2 | Very low | 32.8 | Very low | 190 Ų | 190 | 133.6 Ų | 133.6 | 89% | 0.888 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -120.4 | 22.5 | 168.8 | -72 | -160.3 | -24.7 | 0 | 0 | 114.4 | ||
| 1242 | R | 27.6 | Very low | 31.9 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 63% | 0.634 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -119.8 | 64.6 | 177.1 | -161.4 | 176.6 | -165.7 | 162.3 | -2.8 | 112.9 | E233 | E233-R1242 IonicContact OE1-CZ 3.28Å; E233-R1242 IonicContact OE1-NH1 2.67Å; E233-R1242 PolarHBondContact OE1-NH1 2.91Å; E233-R1242 IonicContact OE1-NH2 3.55Å; E233-R1242 PolarHBondContact OE1-NH2 3.32Å; E233-R1242 IonicContact OE2-CZ 2.93Å; E233-R1242 IonicContact OE2-NE 3.91Å; E233-R1242 IonicContact OE2-NH1 3.86Å; E233-R1242 PolarHBondContact OE2-NH1 3.5Å; E233-R1242 IonicContact OE2-NH2 3.57Å; E233-R1242 PolarHBondContact OE2-NH2 3.47Å; E233-R1242 VanDerWaalsContact OE2-NH2 3.13Å |
| 1243 | N | 28.4 | Very low | 31.2 | Very low | 156 Ų | 156 | 141.3 Ų | 141.3 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 179.1 | 85.4 | 157 | -93.7 | -23.4 | 0 | 0 | 0 | 109.1 | ||
| 1244 | D | 29.7 | Very low | 30.4 | Very low | 169 Ų | 169 | 142.2 Ų | 142.2 | 90% | 0.904 | 76% | 0.761 | S | S | * | * | trans | -177 | 59.3 | 160.9 | -105.7 | -18.4 | 0 | 0 | 0 | 113.2 | ||||
| 1245 | R | 27.3 | Very low | 29.7 | Very low | 249 Ų | 249 | 146.8 Ų | 146.8 | 94% | 0.94 | 78% | 0.781 | S | S | * | * | trans | -144 | 95.4 | 162.1 | -73.4 | -162 | 175.9 | 179.9 | 0.4 | 111.4 | ||||
| 1246 | Q | 27.1 | Very low | 29.3 | Very low | 186 Ų | 186 | 147.2 Ų | 147.2 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | -66.2 | 151.5 | 167.5 | -76.7 | -176.8 | -37.2 | 0 | 0 | 111.4 | ||||
| 1247 | P | 31.7 | Very low | 28.6 | Very low | 127 Ų | 127 | 154 Ų | 154 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -76 | 140.8 | -178.2 | 31.2 | -35.1 | 0 | 0 | 0 | 112.2 | ||||
| 1248 | V | 29.3 | Very low | 28.3 | Very low | 142 Ų | 142 | 157.2 Ų | 157.2 | 86% | 0.861 | 82% | 0.822 | S | S | * | * | trans | -120.3 | 134.9 | 167.9 | 179.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1249 | A | 26.8 | Very low | 27.9 | Very low | 80 Ų | 80 | 157 Ų | 157 | 66% | 0.661 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 156.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V1251 | A1249-V1251 PolarHBondContact O-N 3.48Š|
| 1250 | P | 35 | Very low | 27.5 | Very low | 130 Ų | 130 | 156.3 Ų | 156.3 | 84% | 0.844 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 122.9 | -166.7 | 29.9 | -35.5 | 0 | 0 | 0 | 113.7 | ||
| 1251 | V | 29 | Very low | 27 | Very low | 143 Ų | 143 | 156 Ų | 156 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 116 | 172 | 179.1 | 0 | 0 | 0 | 0 | 110.4 | A1249 | A1249-V1251 PolarHBondContact O-N 3.48Š|
| 1252 | R | 22.9 | Very low | 26.7 | Very low | 248 Ų | 248 | 156.4 Ų | 156.4 | 94% | 0.936 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 137.7 | 167.2 | -74.9 | 174.5 | 164.2 | 174.9 | -5.8 | 110.3 | ||
| 1253 | G | 26.4 | Very low | 26.5 | Very low | 71 Ų | 71 | 155.7 Ų | 155.7 | 73% | 0.732 | 83% | 0.83 | S | S | * | * | trans | 142.9 | 84.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1254 | A | 24.7 | Very low | 26.2 | Very low | 96 Ų | 96 | 152.6 Ų | 152.6 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | 82.7 | 135 | 59.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1255 | K | 25.1 | Very low | 25.9 | Very low | 221 Ų | 221 | 148.4 Ų | 148.4 | 96% | 0.961 | 80% | 0.801 | S | S | * | * | trans | 74 | 144.3 | -177.8 | -53.1 | 179.5 | 179.6 | -179.7 | 0 | 115.3 | ||||
| 1256 | G | 25.9 | Very low | 26 | Very low | 73 Ų | 73 | 144.4 Ų | 144.4 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | 131.5 | 14.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | P1258 | G1256-P1258 WeakPolarHBondContact O-CD 3.43Š| ||
| 1257 | R | 23.3 | Very low | 25.9 | Very low | 224 Ų | 224 | 142.1 Ų | 142.1 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -82.1 | 112.3 | 170.2 | -174.5 | -173.9 | -169.8 | -172 | 5.3 | 109.8 | ||||
| 1258 | P | 26.6 | Very low | 26.1 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -77.3 | 122.9 | 170 | 31.5 | -32.2 | 0 | 0 | 0 | 109.5 | G1256 | G1256-P1258 WeakPolarHBondContact O-CD 3.43Š| ||
| 1259 | E | 23.6 | Very low | 26.6 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -81.5 | 129.8 | 169.1 | -62.2 | -177.6 | 120.1 | 0 | 0 | 109.9 | ||||
| 1260 | V | 23.6 | Very low | 26.4 | Very low | 132 Ų | 132 | 142.9 Ų | 142.9 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | -123.3 | 87.1 | 160.9 | -174.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1261 | K | 23.5 | Very low | 25.8 | Very low | 183 Ų | 183 | 141.2 Ų | 141.2 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | trans | 53.1 | 82.2 | 143.3 | -59.7 | -178.1 | -179.7 | -179.4 | 0 | 116.9 | L1263 | K1261-L1263 PolarHBondContact O-N 3.13Š| ||
| 1262 | K | 23.2 | Very low | 25.5 | Very low | 197 Ų | 197 | 138.9 Ų | 138.9 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | trans | -46.2 | 120.1 | 140.4 | 177.8 | -175.4 | -178.1 | -176.3 | 0 | 109.7 | ||||
| 1263 | L | 23.2 | Very low | 25.8 | Very low | 153 Ų | 153 | 135.5 Ų | 135.5 | 80% | 0.801 | 76% | 0.761 | S | S | * | * | trans | -108.4 | 97 | 156.4 | -80 | 168.8 | 0 | 0 | 0 | 105.7 | K1261 | K1261-L1263 PolarHBondContact O-N 3.13Š| ||
| 1264 | T | 23.5 | Very low | 25.6 | Very low | 91 Ų | 91 | 142.3 Ų | 142.3 | 56% | 0.558 | 77% | 0.77 | S | S | * | * | 66.2 | 90.7 | 100.7 | 57 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1265 | S | 23.4 | Very low | 25.7 | Very low | 82 Ų | 82 | 141.2 Ų | 141.2 | 57% | 0.573 | 77% | 0.768 | S | S | * | * | 62.3 | 109.2 | 79.4 | 72.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1266 | N | 27.6 | Very low | 25.7 | Very low | 165 Ų | 165 | 140.6 Ų | 140.6 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | trans | -143.1 | 126.3 | 146.4 | -88 | -37.8 | 0 | 0 | 0 | 106.6 | ||||
| 1267 | D | 25.8 | Very low | 25.7 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | -78.9 | 179.9 | -155.9 | -54.5 | -96.4 | 0 | 0 | 0 | 115.1 | ||||
| 1268 | D | 36.5 | Very low | 26.3 | Very low | 152 Ų | 152 | 136.3 Ų | 136.3 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | -37.6 | 161.9 | 155.8 | -69.7 | -65 | 0 | 0 | 0 | 114 | ||||
| 1269 | P | 39.2 | Very low | 26.1 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | cis | -150.8 | -175.7 | 30.5 | 43 | -22.7 | 0 | 0 | 0 | 118.2 | ||||
| 1270 | S | 22.4 | Very low | 26.3 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | 78.4 | 160.9 | 142.2 | 89.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 1271 | S | 22.4 | Very low | 26.6 | Very low | 95 Ų | 95 | 130.4 Ų | 130.4 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | cis | -171.1 | 161.5 | -31.2 | 56.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 1272 | S | 23.9 | Very low | 26.6 | Very low | 93 Ų | 93 | 130.5 Ų | 130.5 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | trans | 69.7 | 151.9 | 162.9 | 89.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 1273 | K | 27.7 | Very low | 26.9 | Very low | 178 Ų | 178 | 130.3 Ų | 130.3 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | cis | -122.1 | 145.3 | -12.3 | -78.6 | 99.2 | -178.3 | -179.4 | 0 | 107.2 | ||||
| 1274 | K | 22.8 | Very low | 26.9 | Very low | 213 Ų | 213 | 132.2 Ų | 132.2 | 93% | 0.926 | 78% | 0.777 | S | S | * | * | 58.2 | 109.5 | 65 | -80.5 | -174.6 | 175.1 | 177.3 | 0 | 114.3 | |||||
| 1275 | G | 27 | Very low | 27 | Very low | 73 Ų | 73 | 133 Ų | 133 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | 162.4 | 49 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1276 | K | 24.8 | Very low | 27.1 | Very low | 208 Ų | 208 | 134.4 Ų | 134.4 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | 67.7 | 116.4 | 89.7 | -94.9 | -161.9 | 169.8 | -165.6 | 0 | 115.6 | |||||
| 1277 | A | 26.6 | Very low | 26.8 | Very low | 90 Ų | 90 | 135 Ų | 135 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -38.5 | 161.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1278 | P | 35.5 | Very low | 26.9 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | -131.7 | 143.4 | 85.9 | 26.9 | -10.2 | 0 | 0 | 0 | 113 | |||||
| 1279 | S | 23.1 | Very low | 26.1 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | cis | 92.2 | 89.4 | 41.2 | 81.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1280 | A | 27.7 | Very low | 25.6 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | -166.9 | 144.8 | 152.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1281 | G | 28.4 | Very low | 25.6 | Very low | 75 Ų | 75 | 135.8 Ų | 135.8 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | cis | -155.8 | 167 | -5.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1282 | Q | 24.5 | Very low | 25.7 | Very low | 185 Ų | 185 | 136.1 Ų | 136.1 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -66.8 | 152.1 | -175.6 | -58.8 | 155.2 | -44.3 | 0 | 0 | 112.8 | ||||
| 1283 | Q | 29.7 | Very low | 25.8 | Very low | 194 Ų | 194 | 139.4 Ų | 139.4 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | -163.9 | 159.2 | 105.2 | -101.4 | 166.4 | 27.5 | 0 | 0 | 112.4 | |||||
| 1284 | Q | 22.9 | Very low | 25.7 | Very low | 193 Ų | 193 | 134.6 Ų | 134.6 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | trans | -124.6 | 129.6 | -175 | -61.8 | 170.3 | -51.1 | 0 | 0 | 110 | ||||
| 1285 | S | 25.3 | Very low | 26 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -174.3 | 108.6 | 151.1 | 50 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1286 | S | 24.7 | Very low | 25.9 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | 64.5 | 112 | 67.2 | 79.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1287 | K | 21.6 | Very low | 26 | Very low | 177 Ų | 177 | 133.9 Ų | 133.9 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -9.9 | 142.2 | 164.2 | -86.2 | -174.9 | 167.1 | -158.1 | 0 | 117.5 | T1289 | K1287-T1289 WeakPolarHBondContact CD-OG1 3.5Å; K1287-T1289 WeakPolarHBondContact CE-OG1 2.87Å; K1287-T1289 PolarHBondContact NZ-OG1 3.43Å; K1287-T1289 VanDerWaalsContact NZ-OG1 3.08Å | ||
| 1288 | P | 28.5 | Very low | 26 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | -112.4 | 123.6 | 120.1 | 32.3 | -29 | 0 | 0 | 0 | 111.3 | |||||
| 1289 | T | 20.3 | Very low | 25.5 | Very low | 85 Ų | 85 | 136 Ų | 136 | 52% | 0.521 | 79% | 0.787 | S | S | . | * | trans | -99.5 | 125.4 | 159.3 | -62.7 | 0 | 0 | 0 | 0 | 106.6 | K1287 | K1287-T1289 WeakPolarHBondContact CD-OG1 3.5Å; K1287-T1289 WeakPolarHBondContact CE-OG1 2.87Å; K1287-T1289 PolarHBondContact NZ-OG1 3.43Å; K1287-T1289 VanDerWaalsContact NZ-OG1 3.08Å | ||
| 1290 | I | 28.3 | Very low | 25.9 | Very low | 153 Ų | 153 | 138.6 Ų | 138.6 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -123.4 | 114.4 | 173.1 | -61.6 | -179.2 | 0 | 0 | 0 | 107.8 | ||||
| 1291 | Q | 22.8 | Very low | 25.8 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | -94.7 | -170.9 | 164.5 | -66.4 | 173.8 | -98.6 | 0 | 0 | 108.6 | ||||
| 1292 | S | 24.8 | Very low | 25.7 | Very low | 102 Ų | 102 | 142.3 Ų | 142.3 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | 75.4 | 143.4 | 172.5 | 77.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1293 | D | 25.7 | Very low | 25.9 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | cis | -158 | 178.5 | -19 | -112.8 | -37.1 | 0 | 0 | 0 | 112.6 | ||||
| 1294 | A | 24 | Very low | 26.7 | Very low | 77 Ų | 77 | 137.1 Ų | 137.1 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | trans | -66.6 | 145.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1295 | Q | 29 | Very low | 26.8 | Very low | 182 Ų | 182 | 134.9 Ų | 134.9 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | trans | -166.8 | 123.5 | 148.2 | -100.5 | 146.5 | 66.5 | 0 | 0 | 106 | ||||
| 1296 | N | 25.3 | Very low | 26.8 | Very low | 143 Ų | 143 | 140.8 Ų | 140.8 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | cis | 73.5 | 141.9 | 24.1 | -148.3 | 16.2 | 0 | 0 | 0 | 114.4 | ||||
| 1297 | N | 27.1 | Very low | 27.1 | Very low | 153 Ų | 153 | 139.9 Ų | 139.9 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 76.1 | 145.3 | -158.6 | -46.6 | -35.5 | 0 | 0 | 0 | 113.4 | ||||
| 1298 | G | 27.1 | Very low | 28.4 | Very low | 75 Ų | 75 | 137.6 Ų | 137.6 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | cis | -155.6 | 176.9 | 0.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1299 | Q | 25.3 | Very low | 28.2 | Very low | 179 Ų | 179 | 135 Ų | 135 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | trans | -96.9 | 152.5 | -175.5 | -58.9 | 150.7 | -84.1 | 0 | 0 | 111.7 | ||||
| 1300 | D | 32.1 | Very low | 28.7 | Very low | 164 Ų | 164 | 141.3 Ų | 141.3 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -165 | 107.6 | 146.5 | -88.8 | -35.3 | 0 | 0 | 0 | 106 | ||||
| 1301 | E | 23.8 | Very low | 28.4 | Very low | 166 Ų | 166 | 145 Ų | 145 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | 63.2 | 77.9 | 57 | -85.3 | -72.5 | 113.1 | 0 | 0 | 115.2 | |||||
| 1302 | A | 27.3 | Very low | 28.7 | Very low | 98 Ų | 98 | 141.1 Ų | 141.1 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -156.8 | 116.9 | 153 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1303 | Q | 27.7 | Very low | 29 | Very low | 173 Ų | 173 | 142.6 Ų | 142.6 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | trans | -96.9 | -164.2 | 158 | -50.1 | -171.5 | 0.4 | 0 | 0 | 108.5 | ||||
| 1304 | P | 46.7 | Very low | 29.1 | Very low | 96 Ų | 96 | 144.1 Ų | 144.1 | 62% | 0.623 | 79% | 0.787 | S | S | * | * | cis | -140 | -165.1 | -7.1 | 28.2 | -1.7 | 0 | 0 | 0 | 115.1 | ||||
| 1305 | L | 25 | Very low | 29.3 | Very low | 147 Ų | 147 | 147.7 Ų | 147.7 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | 80.5 | 138.6 | 162 | -45.7 | 175.7 | 0 | 0 | 0 | 116.9 | ||||
| 1306 | R | 26.7 | Very low | 29.3 | Very low | 231 Ų | 231 | 148.1 Ų | 148.1 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | cis | -157.9 | 155.1 | -15.9 | -124.7 | 179 | -177.2 | -170.4 | 1.1 | 109.2 | ||||
| 1307 | A | 30.2 | Very low | 29.4 | Very low | 91 Ų | 91 | 147.9 Ų | 147.9 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | -86.2 | -174.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1308 | P | 48.9 | Very low | 29.4 | Very low | 129 Ų | 129 | 149.1 Ų | 149.1 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | cis | -145.9 | 174.2 | 4.6 | 43.2 | -24.3 | 0 | 0 | 0 | 118.9 | ||||
| 1309 | G | 24.8 | Very low | 29.4 | Very low | 66 Ų | 66 | 150.8 Ų | 150.8 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | 128.1 | 101.7 | 125.9 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 1310 | K | 29.7 | Very low | 29.3 | Very low | 217 Ų | 217 | 148 Ų | 148 | 94% | 0.943 | 77% | 0.771 | S | S | * | * | trans | 70.4 | 159.8 | 152.3 | -49.3 | 173.4 | -177.9 | 176.4 | 0 | 119.5 | ||||
| 1311 | R | 23.5 | Very low | 28.9 | Very low | 231 Ų | 231 | 146.6 Ų | 146.6 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | -167.3 | 146.3 | -50.3 | -170.3 | 171.8 | -178 | 171.5 | 2.3 | 108.9 | |||||
| 1312 | A | 28.2 | Very low | 28.8 | Very low | 82 Ų | 82 | 148.2 Ų | 148.2 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | 72 | 155.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1313 | D | 30.6 | Very low | 28.5 | Very low | 133 Ų | 133 | 152.3 Ų | 152.3 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | cis | -167.6 | 119.4 | -46.7 | -93 | -43.5 | 0 | 0 | 0 | 105.2 | ||||
| 1314 | K | 28.4 | Very low | 28.3 | Very low | 194 Ų | 194 | 147.4 Ų | 147.4 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | 47.6 | 134 | 95.4 | -70.2 | -171.1 | 176.5 | -174.8 | 0 | 114.2 | |||||
| 1315 | R | 27 | Very low | 27.1 | Very low | 152 Ų | 152 | 149.3 Ų | 149.3 | 57% | 0.574 | 77% | 0.771 | S | S | * | * | cis | -138.9 | 173.3 | 43.5 | -70.2 | 169.5 | 165.6 | -178.8 | -14.5 | 115.5 | Y1142 S1143 | Y1142-R1315 PolarHBondContact O-NH2 3.49Å; S1143-R1315 PolarHBondContact O-NH1 3.03Å; S1143-R1315 PolarHBondContact OG-NH1 3.15Å; S1143-R1315 PolarHBondContact OG-NH2 3.45Å | ||
| 1316 | K | 29.8 | Very low | 27 | Very low | 190 Ų | 190 | 148.5 Ų | 148.5 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | -129 | 151.6 | 162.6 | -98.9 | -169.7 | 171.3 | -168.1 | 0 | 107.6 | ||||
| 1317 | F | 26.6 | Very low | 26.7 | Very low | 138 Ų | 138 | 141.8 Ų | 141.8 | 61% | 0.605 | 77% | 0.766 | S | S | * | * | trans | -111 | 145 | 168.7 | -98.9 | -83.7 | 0 | 0 | 0 | 111.7 | S1143 | S1143-F1317 VanDerWaalsContact O-CZ 3.29Å; S1143-F1317 WeakPolarHBondContact O-CZ 3.37Å | ||
| 1318 | H | 29.1 | Very low | 26.5 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | trans | -143.4 | 174.1 | 170.6 | -93.7 | -40.7 | 0 | 0 | 0 | 108.9 | ||||
| 1319 | S | 25.5 | Very low | 25.2 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | -114.2 | 172.6 | -163.4 | -164.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1320 | V | 24 | Very low | 25.1 | Very low | 120 Ų | 120 | 146 Ų | 146 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | 71.1 | 110.8 | 163.3 | -125.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1321 | N | 22.7 | Very low | 25.1 | Very low | 136 Ų | 136 | 141.9 Ų | 141.9 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | 122.2 | 147.4 | 111.5 | -129.5 | -10.7 | 0 | 0 | 0 | 121.7 | |||||
| 1322 | R | 21.9 | Very low | 25 | Very low | 199 Ų | 199 | 139.9 Ų | 139.9 | 75% | 0.751 | 76% | 0.764 | S | S | * | * | trans | 62.7 | 107.4 | 156 | -78.5 | -179.1 | 179.5 | 175.6 | -0.8 | 123.6 | ||||
| 1323 | Q | 21.1 | Very low | 25.1 | Very low | 184 Ų | 184 | 142.4 Ų | 142.4 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | 52.3 | 119.1 | 114.2 | -65.9 | 172.4 | -26.2 | 0 | 0 | 121.1 | |||||
| 1324 | G | 24.9 | Very low | 24.7 | Very low | 70 Ų | 70 | 140.5 Ų | 140.5 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | -158.2 | 160.8 | 164 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1325 | T | 21.4 | Very low | 24.7 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | trans | -143.1 | -177 | -170.9 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1326 | V | 22.4 | Very low | 24.5 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 79% | 0.788 | 77% | 0.77 | S | S | * | * | trans | 80.5 | 111.4 | 179.3 | -170 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1327 | A | 20.2 | Very low | 24.5 | Very low | 90 Ų | 90 | 136.4 Ų | 136.4 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | cis | 92.3 | 171.1 | 47.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1328 | V | 26.5 | Very low | 24.4 | Very low | 139 Ų | 139 | 141 Ų | 141 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | 83.1 | 140.4 | -164.2 | -176.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1329 | S | 21.9 | Very low | 25 | Very low | 91 Ų | 91 | 137.6 Ų | 137.6 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | cis | -170.5 | 140.6 | -44.3 | -113.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1330 | D | 21.8 | Very low | 24.9 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | trans | 23 | 124.2 | 143.8 | -38.7 | -58.4 | 0 | 0 | 0 | 121.1 | ||||
| 1331 | S | 29 | Very low | 24.9 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | trans | -160 | 134.1 | 147.3 | -78.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 1332 | E | 22.5 | Very low | 25.2 | Very low | 190 Ų | 190 | 136.9 Ų | 136.9 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | -106.3 | 150.8 | -174.2 | -54.3 | 175.5 | 117.1 | 0 | 0 | 112.5 | ||||
| 1333 | T | 29.4 | Very low | 25.4 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | 165 | 122.3 | 150 | 40.6 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1334 | S | 22.2 | Very low | 25.8 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | cis | 114.1 | 152.2 | 29.5 | 76.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 1335 | D | 28.4 | Very low | 26.1 | Very low | 134 Ų | 134 | 136.7 Ų | 136.7 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | trans | 77.2 | 88 | 161.9 | -56.5 | -62.7 | 0 | 0 | 0 | 122 | ||||
| 1336 | T | 23.3 | Very low | 26.5 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | 54.1 | 109.2 | 109.1 | -49.3 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 1337 | E | 29.8 | Very low | 26.9 | Very low | 193 Ų | 193 | 138 Ų | 138 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | -164.4 | 164 | 118.5 | -113.2 | 178.3 | -165 | 0 | 0 | 114.5 | |||||
| 1338 | R | 24.6 | Very low | 27.6 | Very low | 235 Ų | 235 | 141 Ų | 141 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | trans | -122.1 | 160.9 | 172.9 | -87.3 | -176.4 | 173 | -173.5 | -0.4 | 106.7 | ||||
| 1339 | P | 41 | Very low | 27.9 | Very low | 107 Ų | 107 | 144 Ų | 144 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | cis | -154.2 | 178.7 | 37.2 | 44.4 | -23.4 | 0 | 0 | 0 | 119.2 | ||||
| 1340 | N | 24 | Very low | 28.4 | Very low | 143 Ų | 143 | 147.4 Ų | 147.4 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | trans | 58.2 | 106.3 | 141.4 | -67.2 | -0.8 | 0 | 0 | 0 | 123.2 | ||||
| 1341 | S | 23.5 | Very low | 29.1 | Very low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | 59.5 | 107.8 | 124 | 69 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 1342 | A | 29.4 | Very low | 29.7 | Very low | 98 Ų | 98 | 147 Ų | 147 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | -138.3 | 139.6 | 128.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 1343 | N | 26.7 | Very low | 30.4 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | trans | -93.4 | 128.3 | 175.2 | -66.9 | -11.8 | 0 | 0 | 0 | 109.1 | ||||
| 1344 | D | 30.1 | Very low | 30.7 | Very low | 148 Ų | 148 | 136 Ų | 136 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | trans | -135 | 103.3 | 160.9 | -104.6 | -47.7 | 0 | 0 | 0 | 108.8 | Q1346 | D1344-Q1346 PolarHBondContact O-N 3.06Š| ||
| 1345 | D | 29.8 | Very low | 31.5 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 84% | 0.84 | 71% | 0.713 | S | S | * | * | trans | -75 | 65.3 | -176.7 | -80 | -62.1 | 0 | 0 | 0 | 112.1 | N1347 | D1345-N1347 VanDerWaalsContact C-N 3.27Å; D1345-N1347 PolarHBondContact O-N 2.86Å | ||
| 1346 | Q | 30.8 | Very low | 32 | Very low | 145 Ų | 145 | 133.2 Ų | 133.2 | 68% | 0.678 | 70% | 0.699 | S | S | * | * | trans | -69.9 | 84.7 | 169.2 | -69.9 | -95.8 | -11.4 | 0 | 0 | 109.4 | D1344 H1348 | D1344-Q1346 PolarHBondContact O-N 3.06Å; Q1346-H1348 PolarHBondContact O-CD2 3.23Å; Q1346-H1348 PolarHBondContact O-N 3.38Å | ||
| 1347 | N | 30 | Very low | 32.7 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 80% | 0.797 | 69% | 0.693 | S | S | * | * | trans | -68.3 | 75.1 | 179.5 | -172.6 | -7 | 0 | 0 | 0 | 111.5 | D1345 K1349 | D1345-N1347 VanDerWaalsContact C-N 3.27Å; D1345-N1347 PolarHBondContact O-N 2.86Å; N1347-K1349 PolarHBondContact O-N 3.45Å; N1347-K1349 VanDerWaalsContact O-N 3.11Å | ||
| 1348 | H | 35.7 | Very low | 32.9 | Very low | 153 Ų | 153 | 127.4 Ų | 127.4 | 71% | 0.708 | 67% | 0.668 | S | S | * | * | trans | -62.1 | 110.6 | 177.3 | -71.4 | -75 | 0 | 0 | 0 | 110.5 | Q1346 R1350 | Q1346-H1348 PolarHBondContact O-CD2 3.23Å; Q1346-H1348 PolarHBondContact O-N 3.38Å; H1348-R1350 VanDerWaalsContact C-N 3.35Å; H1348-R1350 PolarHBondContact O-N 3.3Å | ||
| 1349 | K | 32.9 | Very low | 33.9 | Very low | 201 Ų | 201 | 123.8 Ų | 123.8 | 87% | 0.874 | 66% | 0.655 | S | S | * | * | trans | -62.5 | 91.6 | 173.6 | -69.6 | 175.8 | -179.2 | 170 | 0 | 110.2 | N1347 | N1347-K1349 PolarHBondContact O-N 3.45Å; N1347-K1349 VanDerWaalsContact O-N 3.11Å | ||
| 1350 | R | 31.1 | Very low | 34.4 | Very low | 163 Ų | 163 | 127.5 Ų | 127.5 | 62% | 0.615 | 66% | 0.655 | S | S | * | * | trans | -52.2 | 124 | 176.9 | -152 | 178.8 | -165.6 | 177.9 | 3.2 | 109.4 | H1348 A1354 I1358 | H1348-R1350 VanDerWaalsContact C-N 3.35Å; H1348-R1350 PolarHBondContact O-N 3.3Å; R1350-A1354 HydrophobicContact CG-CB 4.14Å; R1350-I1358 VanDerWaalsContact NH1-CD1 3.33Å | ||
| 1351 | P | 36.6 | Very low | 35.8 | Very low | 93 Ų | 93 | 123.1 Ų | 123.1 | 60% | 0.604 | 64% | 0.635 | S | S | * | * | trans | -64.4 | 143.5 | -174.1 | 25.2 | -34.1 | 0 | 0 | 0 | 110.9 | A1353 A1354 | P1351-A1353 VanDerWaalsContact C-N 3.25Å; P1351-A1353 PolarHBondContact O-N 2.9Å; P1351-A1353 VanDerWaalsContact O-N 3.11Å; P1351-A1354 WeakPolarHBondContact O-CB 3.27Å; P1351-A1354 PolarHBondContact O-N 3.36Å | ||
| 1352 | K | 43 | Very low | 37.6 | Very low | 173 Ų | 173 | 120.3 Ų | 120.3 | 75% | 0.752 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -51.9 | -41.3 | -169.9 | -69.4 | -177.4 | -179.3 | 176.4 | 0 | 113.5 | A1354 N1355 D1356 | K1352-A1354 PolarHBondContact O-N 2.93Å; K1352-A1354 VanDerWaalsContact O-N 3.11Å; K1352-N1355 WeakPolarHBondContact O-CA 3.41Å; K1352-N1355 WeakPolarHBondContact O-CB 3.17Å; K1352-N1355 PolarHBondContact O-N 2.89Å; K1352-D1356 PolarHBondContact O-N 3.15Å |
| 1353 | A | 37.3 | Very low | 39.4 | Very low | 66 Ų | 66 | 119.7 Ų | 119.7 | 55% | 0.545 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -52.7 | -33.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | P1351 D1356 L1357 | P1351-A1353 VanDerWaalsContact C-N 3.25Å; P1351-A1353 PolarHBondContact O-N 2.9Å; P1351-A1353 VanDerWaalsContact O-N 3.11Å; A1353-D1356 PolarHBondContact O-N 3.39Å; A1353-L1357 WeakPolarHBondContact O-CB 3.23Å; A1353-L1357 WeakPolarHBondContact O-CG 3.29Å; A1353-L1357 PolarHBondContact O-N 3.36Å |
| 1354 | A | 34.9 | Very low | 41.7 | Very low | 26 Ų | 26 | 119.1 Ų | 119.1 | 22% | 0.215 | 58% | 0.583 | C | S | . | * | H | α-helix | trans | -68.8 | -35.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1350 P1351 K1352 I1358 | R1350-A1354 HydrophobicContact CG-CB 4.14Å; P1351-A1354 WeakPolarHBondContact O-CB 3.27Å; P1351-A1354 PolarHBondContact O-N 3.36Å; K1352-A1354 PolarHBondContact O-N 2.93Å; K1352-A1354 VanDerWaalsContact O-N 3.11Å; A1354-I1358 WeakPolarHBondContact O-CB 3.35Å; A1354-I1358 VanDerWaalsContact O-CD1 3.3Å; A1354-I1358 WeakPolarHBondContact O-CD1 3.38Å; A1354-I1358 WeakPolarHBondContact O-CG1 3.15Å; A1354-I1358 PolarHBondContact O-N 3.48Å |
| 1355 | N | 39.8 | Very low | 43.9 | Very low | 88 Ų | 88 | 117.5 Ų | 117.5 | 47% | 0.471 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -72.1 | -35.8 | 175.1 | -71.9 | -7.8 | 0 | 0 | 0 | 111.5 | K1352 I1358 R1359 | K1352-N1355 WeakPolarHBondContact O-CA 3.41Å; K1352-N1355 WeakPolarHBondContact O-CB 3.17Å; K1352-N1355 PolarHBondContact O-N 2.89Å; N1355-I1358 PolarHBondContact O-N 2.94Å; N1355-R1359 VanDerWaalsContact O-CB 3.26Å; N1355-R1359 WeakPolarHBondContact O-CB 3.37Å; N1355-R1359 PolarHBondContact O-N 3.33Å |
| 1356 | D | 38 | Very low | 46.4 | Very low | 82 Ų | 82 | 112.5 Ų | 112.5 | 44% | 0.439 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70.9 | -35.7 | 175.2 | -67 | -53.1 | 0 | 0 | 0 | 112 | K1352 A1353 R1359 R1360 | K1352-D1356 PolarHBondContact O-N 3.15Å; A1353-D1356 PolarHBondContact O-N 3.39Å; D1356-R1359 PolarHBondContact O-N 3.05Å; D1356-R1360 WeakPolarHBondContact O-CB 3.42Å; D1356-R1360 VanDerWaalsContact O-CG 3.28Å; D1356-R1360 WeakPolarHBondContact O-CG 3.23Å; D1356-R1360 PolarHBondContact O-N 3.43Å |
| 1357 | L | 38.8 | Very low | 48.9 | Very low | 120 Ų | 120 | 106.4 Ų | 106.4 | 63% | 0.628 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63 | -47.5 | 169.3 | -85.8 | 161.7 | 0 | 0 | 0 | 112.2 | A1353 R1359 R1360 S1361 | A1353-L1357 WeakPolarHBondContact O-CB 3.23Å; A1353-L1357 WeakPolarHBondContact O-CG 3.29Å; A1353-L1357 PolarHBondContact O-N 3.36Å; L1357-R1359 VanDerWaalsContact C-N 3.28Å; L1357-R1359 PolarHBondContact O-N 2.82Å; L1357-R1360 PolarHBondContact O-N 2.71Å; L1357-R1360 VanDerWaalsContact O-N 3.16Å; L1357-S1361 PolarHBondContact O-N 3.28Å |
| 1358 | I | 33.9 | Very low | 51.4 | Low | 74 Ų | 74 | 102 Ų | 102 | 38% | 0.379 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -36.7 | 176.2 | -70.4 | 164 | 0 | 0 | 0 | 111.2 | R1350 A1354 N1355 S1361 S1362 | R1350-I1358 VanDerWaalsContact NH1-CD1 3.33Å; A1354-I1358 WeakPolarHBondContact O-CB 3.35Å; A1354-I1358 VanDerWaalsContact O-CD1 3.3Å; A1354-I1358 WeakPolarHBondContact O-CD1 3.38Å; A1354-I1358 WeakPolarHBondContact O-CG1 3.15Å; A1354-I1358 PolarHBondContact O-N 3.48Å; N1355-I1358 PolarHBondContact O-N 2.94Å; I1358-S1361 PolarHBondContact O-N 3.39Å; I1358-S1361 PolarHBondContact O-OG 3.2Å; I1358-S1362 WeakPolarHBondContact O-CB 3.46Å; I1358-S1362 PolarHBondContact O-N 2.94Å; I1358-S1362 PolarHBondContact O-OG 3.06Å |
| 1359 | R | 44.2 | Very low | 53.6 | Low | 158 Ų | 158 | 98.6 Ų | 98.6 | 60% | 0.596 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -71.3 | -31.7 | 175.8 | -168.8 | 178.5 | -171.7 | -169.8 | 3 | 112.7 | N1355 D1356 L1357 S1362 Q1363 | N1355-R1359 VanDerWaalsContact O-CB 3.26Å; N1355-R1359 WeakPolarHBondContact O-CB 3.37Å; N1355-R1359 PolarHBondContact O-N 3.33Å; D1356-R1359 PolarHBondContact O-N 3.05Å; L1357-R1359 VanDerWaalsContact C-N 3.28Å; L1357-R1359 PolarHBondContact O-N 2.82Å; R1359-S1362 PolarHBondContact O-OG 2.85Å; R1359-Q1363 WeakPolarHBondContact O-CB 3.45Å; R1359-Q1363 WeakPolarHBondContact O-CG 3.2Å; R1359-Q1363 PolarHBondContact O-N 2.67Å; R1359-Q1363 VanDerWaalsContact O-N 3.14Å |
| 1360 | R | 52.4 | Low | 56.1 | Low | 186 Ų | 186 | 89 Ų | 89 | 70% | 0.702 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -73.4 | -38.5 | 172.3 | -74.2 | 175.8 | -173.8 | -150.1 | 3.7 | 111.6 | D1356 L1357 R1364 | D1356-R1360 WeakPolarHBondContact O-CB 3.42Å; D1356-R1360 VanDerWaalsContact O-CG 3.28Å; D1356-R1360 WeakPolarHBondContact O-CG 3.23Å; D1356-R1360 PolarHBondContact O-N 3.43Å; L1357-R1360 PolarHBondContact O-N 2.71Å; L1357-R1360 VanDerWaalsContact O-N 3.16Å; R1360-R1364 WeakPolarHBondContact O-CB 3.37Å; R1360-R1364 PolarHBondContact O-N 2.78Å |
| 1361 | S | 53.7 | Low | 58.6 | Low | 51 Ų | 51 | 81.2 Ų | 81.2 | 36% | 0.357 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.2 | -48.5 | 175.3 | 89.5 | 0 | 0 | 0 | 0 | 110.7 | L1357 I1358 Q1363 R1364 E1365 | L1357-S1361 PolarHBondContact O-N 3.28Å; I1358-S1361 PolarHBondContact O-N 3.39Å; I1358-S1361 PolarHBondContact O-OG 3.2Å; S1361-Q1363 VanDerWaalsContact C-N 3.31Å; S1361-Q1363 PolarHBondContact O-N 2.95Å; S1361-R1364 CarbonylContact O-C 3.57Å; S1361-R1364 WeakPolarHBondContact O-CA 3.3Å; S1361-R1364 WeakPolarHBondContact O-CB 3.46Å; S1361-R1364 PolarHBondContact O-N 2.99Å; S1361-E1365 VanDerWaalsContact C-OE1 3.25Å; S1361-E1365 WeakPolarHBondContact CB-OE1 3.39Å; S1361-E1365 VanDerWaalsContact O-CG 3.27Å; S1361-E1365 WeakPolarHBondContact O-CG 3.24Å; S1361-E1365 PolarHBondContact O-N 3.2Å; S1361-E1365 PolarHBondContact OG-OE1 2.68Å |
| 1362 | S | 60.3 | Low | 60.9 | Low | 50 Ų | 50 | 82.8 Ų | 82.8 | 35% | 0.35 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.1 | -35.7 | 178.2 | 73.2 | 0 | 0 | 0 | 0 | 112.8 | I1358 R1359 E1365 T1366 | I1358-S1362 WeakPolarHBondContact O-CB 3.46Å; I1358-S1362 PolarHBondContact O-N 2.94Å; I1358-S1362 PolarHBondContact O-OG 3.06Å; R1359-S1362 PolarHBondContact O-OG 2.85Å; S1362-E1365 PolarHBondContact O-N 3.14Å; S1362-T1366 WeakPolarHBondContact O-CG2 3.43Å; S1362-T1366 PolarHBondContact O-N 2.92Å; S1362-T1366 PolarHBondContact O-OG1 3.49Å |
| 1363 | Q | 67.1 | Low | 62.7 | Low | 85 Ų | 85 | 75.9 Ų | 75.9 | 40% | 0.397 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 172 | -80.2 | 177.5 | -8.7 | 0 | 0 | 112.4 | R1359 S1361 T1366 L1367 | R1359-Q1363 WeakPolarHBondContact O-CB 3.45Å; R1359-Q1363 WeakPolarHBondContact O-CG 3.2Å; R1359-Q1363 PolarHBondContact O-N 2.67Å; R1359-Q1363 VanDerWaalsContact O-N 3.14Å; S1361-Q1363 VanDerWaalsContact C-N 3.31Å; S1361-Q1363 PolarHBondContact O-N 2.95Å; Q1363-T1366 WeakPolarHBondContact CA-OG1 3.5Å; Q1363-T1366 PolarHBondContact O-OG1 2.89Å; Q1363-L1367 WeakPolarHBondContact O-CB 3.43Å; Q1363-L1367 PolarHBondContact O-N 3.1Å |
| 1364 | R | 75 | Confident | 64.7 | Low | 134 Ų | 134 | 72.9 Ų | 72.9 | 51% | 0.506 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.8 | -45.3 | 174.7 | -177.2 | 176.4 | 174.7 | 170.9 | 2.1 | 112 | R1360 S1361 T1366 L1367 E1368 | R1360-R1364 WeakPolarHBondContact O-CB 3.37Å; R1360-R1364 PolarHBondContact O-N 2.78Å; S1361-R1364 CarbonylContact O-C 3.57Å; S1361-R1364 WeakPolarHBondContact O-CA 3.3Å; S1361-R1364 WeakPolarHBondContact O-CB 3.46Å; S1361-R1364 PolarHBondContact O-N 2.99Å; R1364-T1366 PolarHBondContact O-N 3.11Å; R1364-L1367 WeakPolarHBondContact O-CB 3.42Å; R1364-L1367 PolarHBondContact O-N 3.01Å; R1364-L1367 VanDerWaalsContact O-N 3.14Å; R1364-E1368 HydrophobicContact CG-CG 4.47Å; R1364-E1368 IonicContact CZ-OE1 3.13Å; R1364-E1368 VanDerWaalsContact CZ-OE1 3.23Å; R1364-E1368 IonicContact NE-OE1 2.71Å; R1364-E1368 PolarHBondContact NE-OE1 3.49Å; R1364-E1368 IonicContact NH2-OE1 2.69Å; R1364-E1368 PolarHBondContact NH2-OE1 3.14Å; R1364-E1368 WeakPolarHBondContact O-CB 3.31Å; R1364-E1368 WeakPolarHBondContact O-CG 3.43Å; R1364-E1368 PolarHBondContact O-N 3.3Å |
| 1365 | E | 75.8 | Confident | 66.9 | Low | 114 Ų | 114 | 75 Ų | 75 | 53% | 0.533 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.2 | -45.2 | 175.7 | -67.9 | 154.8 | -140.6 | 0 | 0 | 110.9 | S1361 S1362 L1367 E1368 E1369 | S1361-E1365 VanDerWaalsContact C-OE1 3.25Å; S1361-E1365 WeakPolarHBondContact CB-OE1 3.39Å; S1361-E1365 VanDerWaalsContact O-CG 3.27Å; S1361-E1365 WeakPolarHBondContact O-CG 3.24Å; S1361-E1365 PolarHBondContact O-N 3.2Å; S1361-E1365 PolarHBondContact OG-OE1 2.68Å; S1362-E1365 PolarHBondContact O-N 3.14Å; E1365-L1367 PolarHBondContact O-N 2.83Å; E1365-E1368 PolarHBondContact O-N 3.07Å; E1365-E1369 PolarHBondContact O-N 3.22Å |
| 1366 | T | 82.2 | Confident | 68.7 | Low | 51 Ų | 51 | 74.9 Ų | 74.9 | 31% | 0.313 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.8 | -28.9 | 175.7 | 54.5 | 0 | 0 | 0 | 0 | 114.2 | S1362 Q1363 R1364 A1370 Y1395 | S1362-T1366 WeakPolarHBondContact O-CG2 3.43Å; S1362-T1366 PolarHBondContact O-N 2.92Å; S1362-T1366 PolarHBondContact O-OG1 3.49Å; Q1363-T1366 WeakPolarHBondContact CA-OG1 3.5Å; Q1363-T1366 PolarHBondContact O-OG1 2.89Å; R1364-T1366 PolarHBondContact O-N 3.11Å; T1366-A1370 VanDerWaalsContact O-CB 3.26Å; T1366-A1370 WeakPolarHBondContact O-CB 3.21Å; T1366-A1370 PolarHBondContact O-N 3.19Å; T1366-Y1395 PolarHBondContact OG1-OH 2.98Å |
| 1367 | L | 83.4 | Confident | 70 | Confident | 17 Ų | 17 | 72.4 Ų | 72.4 | 9% | 0.089 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.9 | -42.9 | 172.9 | 174.5 | 64.7 | 0 | 0 | 0 | 110.8 | Q1363 R1364 E1365 E1369 A1370 L1371 Y1395 V1396 F1417 L1420 | Q1363-L1367 WeakPolarHBondContact O-CB 3.43Å; Q1363-L1367 PolarHBondContact O-N 3.1Å; R1364-L1367 WeakPolarHBondContact O-CB 3.42Å; R1364-L1367 PolarHBondContact O-N 3.01Å; R1364-L1367 VanDerWaalsContact O-N 3.14Å; E1365-L1367 PolarHBondContact O-N 2.83Å; L1367-E1369 VanDerWaalsContact C-N 3.34Å; L1367-E1369 PolarHBondContact O-N 3.21Å; L1367-A1370 PolarHBondContact O-N 3.35Å; L1367-L1371 HydrophobicContact CD1-CD1 4.12Å; L1367-L1371 HydrophobicContact CD1-CG 4.14Å; L1367-L1371 HydrophobicContact CG-CD1 4.03Å; L1367-L1371 HydrophobicContact CG-CG 4.47Å; L1367-L1371 WeakPolarHBondContact O-CB 3.29Å; L1367-L1371 WeakPolarHBondContact O-CG 3.38Å; L1367-L1371 PolarHBondContact O-N 2.93Å; L1367-Y1395 HydrophobicContact CB-CE1 4.3Å; L1367-V1396 HydrophobicContact CD1-CG2 4.29Å; L1367-F1417 HydrophobicContact CD1-CE2 3.98Å; L1367-F1417 HydrophobicContact CD1-CZ 4.04Å; L1367-F1417 HydrophobicContact CD2-CD2 4.02Å; L1367-F1417 HydrophobicContact CD2-CE2 3.51Å; L1367-F1417 HydrophobicContact CD2-CZ 4.29Å; L1367-F1417 HydrophobicContact CG-CE2 4.39Å; L1367-L1420 HydrophobicContact CD2-CD2 4.16Å |
| 1368 | E | 82.7 | Confident | 71 | Confident | 56 Ų | 56 | 70.6 Ų | 70.6 | 26% | 0.262 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.6 | -30.8 | -180 | -75 | 175.7 | -176.9 | 0 | 0 | 112.3 | R1364 E1365 R1372 L1420 R1424 | R1364-E1368 HydrophobicContact CG-CG 4.47Å; R1364-E1368 IonicContact CZ-OE1 3.13Å; R1364-E1368 VanDerWaalsContact CZ-OE1 3.23Å; R1364-E1368 IonicContact NE-OE1 2.71Å; R1364-E1368 PolarHBondContact NE-OE1 3.49Å; R1364-E1368 IonicContact NH2-OE1 2.69Å; R1364-E1368 PolarHBondContact NH2-OE1 3.14Å; R1364-E1368 WeakPolarHBondContact O-CB 3.31Å; R1364-E1368 WeakPolarHBondContact O-CG 3.43Å; R1364-E1368 PolarHBondContact O-N 3.3Å; E1365-E1368 PolarHBondContact O-N 3.07Å; E1368-R1372 WeakPolarHBondContact O-CB 3.34Å; E1368-R1372 PolarHBondContact O-N 2.76Å; E1368-L1420 HydrophobicContact CG-CD1 4.46Å; E1368-L1420 HydrophobicContact CG-CD2 4.32Å; E1368-R1424 PolarHBondContact O-NH1 3.22Å; E1368-R1424 PolarHBondContact O-NH2 3.46Å |
| 1369 | E | 83 | Confident | 72 | Confident | 82 Ų | 82 | 75 Ų | 75 | 38% | 0.383 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -74.3 | -41 | 168.6 | -173.6 | 72.6 | 165.9 | 0 | 0 | 112 | E1365 L1367 L1371 R1372 L1373 | E1365-E1369 PolarHBondContact O-N 3.22Å; L1367-E1369 VanDerWaalsContact C-N 3.34Å; L1367-E1369 PolarHBondContact O-N 3.21Å; E1369-L1371 PolarHBondContact O-N 3.1Å; E1369-R1372 WeakPolarHBondContact O-CB 3.49Å; E1369-R1372 PolarHBondContact O-N 2.85Å; E1369-L1373 HydrophobicContact CG-CD1 4.26Å; E1369-L1373 WeakPolarHBondContact O-CG 3.38Å; E1369-L1373 PolarHBondContact O-N 2.85Å |
| 1370 | A | 84.7 | Confident | 72 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1366 L1367 R1372 L1373 L1374 W1391 A1392 Y1395 V1396 | T1366-A1370 VanDerWaalsContact O-CB 3.26Å; T1366-A1370 WeakPolarHBondContact O-CB 3.21Å; T1366-A1370 PolarHBondContact O-N 3.19Å; L1367-A1370 PolarHBondContact O-N 3.35Å; A1370-R1372 VanDerWaalsContact C-N 3.34Å; A1370-L1373 PolarHBondContact O-N 2.94Å; A1370-L1374 PolarHBondContact O-N 3.29Å; A1370-W1391 HydrophobicContact CB-CH2 4.16Å; A1370-W1391 HydrophobicContact CB-CZ3 3.93Å; A1370-A1392 HydrophobicContact CB-CB 4.34Å; A1370-Y1395 HydrophobicContact CB-CD1 3.92Å; A1370-V1396 HydrophobicContact CB-CG2 3.86Å |
| 1371 | L | 85 | Confident | 71.4 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 173.8 | -72.2 | 170.4 | 0 | 0 | 0 | 111.6 | L1367 E1369 L1373 L1374 E1375 V1396 V1421 L1428 V1432 | L1367-L1371 HydrophobicContact CD1-CD1 4.12Å; L1367-L1371 HydrophobicContact CD1-CG 4.14Å; L1367-L1371 HydrophobicContact CG-CD1 4.03Å; L1367-L1371 HydrophobicContact CG-CG 4.47Å; L1367-L1371 WeakPolarHBondContact O-CB 3.29Å; L1367-L1371 WeakPolarHBondContact O-CG 3.38Å; L1367-L1371 PolarHBondContact O-N 2.93Å; E1369-L1371 PolarHBondContact O-N 3.1Å; L1371-L1373 VanDerWaalsContact C-N 3.35Å; L1371-L1373 PolarHBondContact O-N 2.98Å; L1371-L1374 PolarHBondContact O-N 3.29Å; L1371-E1375 WeakPolarHBondContact O-CB 3.46Å; L1371-E1375 PolarHBondContact O-N 3.46Å; L1371-V1396 HydrophobicContact CD2-CG1 4.03Å; L1371-V1396 HydrophobicContact CD2-CG2 3.97Å; L1371-V1396 HydrophobicContact CG-CG2 4.27Å; L1371-V1421 HydrophobicContact CD1-CG2 4.1Å; L1371-V1421 HydrophobicContact CD2-CG2 4.01Å; L1371-L1428 HydrophobicContact CB-CD2 4.28Å; L1371-L1428 HydrophobicContact CD2-CD2 4.1Å; L1371-V1432 HydrophobicContact CD2-CG2 4.21Å |
| 1372 | R | 83 | Confident | 70.8 | Confident | 126 Ų | 126 | 71.9 Ų | 71.9 | 48% | 0.475 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.7 | -43.1 | 175.9 | -178.7 | -169.5 | 173.3 | 115.6 | 22 | 112 | E1368 E1369 A1370 L1374 E1375 E1376 | E1368-R1372 WeakPolarHBondContact O-CB 3.34Å; E1368-R1372 PolarHBondContact O-N 2.76Å; E1369-R1372 WeakPolarHBondContact O-CB 3.49Å; E1369-R1372 PolarHBondContact O-N 2.85Å; A1370-R1372 VanDerWaalsContact C-N 3.34Å; R1372-L1374 PolarHBondContact O-N 3.22Å; R1372-E1375 WeakPolarHBondContact O-CB 3.21Å; R1372-E1375 PolarHBondContact O-N 3.01Å; R1372-E1376 HydrophobicContact CG-CG 4.42Å; R1372-E1376 IonicContact CZ-OE1 3.73Å; R1372-E1376 IonicContact NE-OE1 2.6Å; R1372-E1376 PolarHBondContact NE-OE1 3.28Å; R1372-E1376 IonicContact NH2-OE1 3.76Å; R1372-E1376 PolarHBondContact NH2-OE1 3.17Å; R1372-E1376 WeakPolarHBondContact O-CG 3.48Å; R1372-E1376 PolarHBondContact O-N 2.85Å |
| 1373 | L | 81.7 | Confident | 70 | Confident | 28 Ų | 28 | 76.9 Ų | 76.9 | 15% | 0.147 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.5 | -24.1 | 179.2 | -70.1 | 163.9 | 0 | 0 | 0 | 113.1 | E1369 A1370 L1371 S1377 L1388 W1391 A1392 | E1369-L1373 HydrophobicContact CG-CD1 4.26Å; E1369-L1373 WeakPolarHBondContact O-CG 3.38Å; E1369-L1373 PolarHBondContact O-N 2.85Å; A1370-L1373 PolarHBondContact O-N 2.94Å; L1371-L1373 VanDerWaalsContact C-N 3.35Å; L1371-L1373 PolarHBondContact O-N 2.98Å; L1373-S1377 WeakPolarHBondContact O-CB 3.36Å; L1373-L1388 HydrophobicContact CD1-CD1 3.94Å; L1373-L1388 HydrophobicContact CD1-CD2 4.22Å; L1373-L1388 HydrophobicContact CD1-CG 3.91Å; L1373-L1388 HydrophobicContact CD2-CD2 3.75Å; L1373-L1388 HydrophobicContact CD2-CG 4.14Å; L1373-W1391 HydrophobicContact CD1-CE3 4.41Å; L1373-W1391 HydrophobicContact CD1-CZ3 4.09Å; L1373-A1392 HydrophobicContact CB-CB 3.94Å |
| 1374 | L | 80.2 | Confident | 69.3 | Low | 2 Ų | 2 | 78.1 Ų | 78.1 | 1% | 0.01 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -79.3 | -40.5 | 170.8 | -63.5 | 178.9 | 0 | 0 | 0 | 111.7 | A1370 L1371 R1372 S1377 S1378 Q1389 A1392 R1393 V1396 L1428 | A1370-L1374 PolarHBondContact O-N 3.29Å; L1371-L1374 PolarHBondContact O-N 3.29Å; R1372-L1374 PolarHBondContact O-N 3.22Å; L1374-S1377 PolarHBondContact O-N 3.2Å; L1374-S1377 PolarHBondContact O-OG 3.49Å; L1374-S1378 PolarHBondContact O-N 3.29Å; L1374-Q1389 HydrophobicContact CD2-CG 4.42Å; L1374-A1392 HydrophobicContact CD2-CB 3.97Å; L1374-A1392 HydrophobicContact CG-CB 4.07Å; L1374-R1393 HydrophobicContact CD2-CB 4.44Å; L1374-R1393 HydrophobicContact CD2-CG 3.56Å; L1374-V1396 HydrophobicContact CD1-CB 4.11Å; L1374-V1396 HydrophobicContact CD1-CG1 4.38Å; L1374-V1396 HydrophobicContact CD1-CG2 3.86Å; L1374-L1428 HydrophobicContact CB-CD1 3.55Å; L1374-L1428 HydrophobicContact CD1-CD1 4.16Å |
| 1375 | E | 80.3 | Confident | 68.3 | Low | 70 Ų | 70 | 77.7 Ų | 77.7 | 33% | 0.327 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.6 | -55.7 | 175.8 | -161.9 | -178 | 144.9 | 0 | 0 | 111.4 | L1371 R1372 S1377 S1378 R1424 L1428 | L1371-E1375 WeakPolarHBondContact O-CB 3.46Å; L1371-E1375 PolarHBondContact O-N 3.46Å; R1372-E1375 WeakPolarHBondContact O-CB 3.21Å; R1372-E1375 PolarHBondContact O-N 3.01Å; E1375-S1377 PolarHBondContact O-N 3.04Å; E1375-S1377 VanDerWaalsContact O-N 3.12Å; E1375-S1378 WeakPolarHBondContact O-CB 3.41Å; E1375-S1378 PolarHBondContact O-N 3.46Å; E1375-S1378 PolarHBondContact O-OG 2.97Å; E1375-R1424 IonicContact OE2-CZ 2.94Å; E1375-R1424 IonicContact OE2-NH1 2.86Å; E1375-R1424 PolarHBondContact OE2-NH1 2.74Å; E1375-L1428 HydrophobicContact CB-CD2 4.38Å |
| 1376 | E | 77.7 | Confident | 68.2 | Low | 87 Ų | 87 | 76.8 Ų | 76.8 | 41% | 0.407 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -57.1 | -28.8 | 175.8 | -70.6 | 178.5 | 179 | 0 | 0 | 112.2 | R1372 S1378 | R1372-E1376 HydrophobicContact CG-CG 4.42Å; R1372-E1376 IonicContact CZ-OE1 3.73Å; R1372-E1376 IonicContact NE-OE1 2.6Å; R1372-E1376 PolarHBondContact NE-OE1 3.28Å; R1372-E1376 IonicContact NH2-OE1 3.76Å; R1372-E1376 PolarHBondContact NH2-OE1 3.17Å; R1372-E1376 WeakPolarHBondContact O-CG 3.48Å; R1372-E1376 PolarHBondContact O-N 2.85Å; E1376-S1378 VanDerWaalsContact C-N 3.31Å; E1376-S1378 PolarHBondContact O-N 2.82Å |
| 1377 | S | 65 | Low | 68.1 | Low | 30 Ų | 30 | 79.5 Ų | 79.5 | 21% | 0.21 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -82 | -2.3 | 179.7 | 81.6 | 0 | 0 | 0 | 0 | 115.3 | L1373 L1374 E1375 Q1389 | L1373-S1377 WeakPolarHBondContact O-CB 3.36Å; L1374-S1377 PolarHBondContact O-N 3.2Å; L1374-S1377 PolarHBondContact O-OG 3.49Å; E1375-S1377 PolarHBondContact O-N 3.04Å; E1375-S1377 VanDerWaalsContact O-N 3.12Å; S1377-Q1389 PolarHBondContact OG-NE2 3.45Å |
| 1378 | S | 59.7 | Low | 67.9 | Low | 81 Ų | 81 | 80.7 Ų | 80.7 | 57% | 0.566 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -82.1 | -20.9 | 172.2 | 68.4 | 0 | 0 | 0 | 0 | 113.3 | L1374 E1375 E1376 | L1374-S1378 PolarHBondContact O-N 3.29Å; E1375-S1378 WeakPolarHBondContact O-CB 3.41Å; E1375-S1378 PolarHBondContact O-N 3.46Å; E1375-S1378 PolarHBondContact O-OG 2.97Å; E1376-S1378 VanDerWaalsContact C-N 3.31Å; E1376-S1378 PolarHBondContact O-N 2.82Å |
| 1379 | E | 55.2 | Low | 67.9 | Low | 167 Ų | 167 | 80.1 Ų | 80.1 | 78% | 0.78 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -25.3 | 178.9 | -58.2 | -171.2 | 150.6 | 0 | 0 | 113.3 | T1381 | E1379-T1381 PolarHBondContact O-N 3.47Š|
| 1380 | V | 43.8 | Very low | 67.9 | Low | 112 Ų | 112 | 79.4 Ų | 79.4 | 68% | 0.679 | 44% | 0.44 | S | S | * | . | trans | -91.1 | 103.2 | -171.1 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | A1382 | V1380-A1382 PolarHBondContact O-N 2.82Š| ||
| 1381 | T | 39.3 | Very low | 68.1 | Low | 129 Ų | 129 | 81.3 Ų | 81.3 | 79% | 0.791 | 45% | 0.447 | S | S | * | . | trans | -67.4 | 118.8 | 171.9 | 54.9 | 0 | 0 | 0 | 0 | 111.7 | E1379 | E1379-T1381 PolarHBondContact O-N 3.47Š| ||
| 1382 | A | 40.7 | Very low | 68.3 | Low | 89 Ų | 89 | 81.3 Ų | 81.3 | 74% | 0.736 | 45% | 0.447 | S | S | * | . | S | Bend | trans | 23.4 | 96.7 | 155.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | V1380 | V1380-A1382 PolarHBondContact O-N 2.82Š|
| 1383 | D | 45.2 | Very low | 68.5 | Low | 154 Ų | 154 | 79.4 Ų | 79.4 | 82% | 0.824 | 44% | 0.44 | S | S | * | . | S | Bend | -162.4 | 136.9 | 126.8 | -107.4 | -25 | 0 | 0 | 0 | 111.5 | |||
| 1384 | S | 51.7 | Low | 68.7 | Low | 111 Ų | 111 | 83.1 Ų | 83.1 | 78% | 0.776 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 65.7 | 139.4 | -169.5 | 77.9 | 0 | 0 | 0 | 0 | 116.7 | D1386 | S1384-D1386 PolarHBondContact O-N 3.21Š|
| 1385 | V | 54.7 | Low | 69.1 | Low | 126 Ų | 126 | 85 Ų | 85 | 76% | 0.764 | 46% | 0.464 | S | S | * | . | trans | -85.5 | 99.8 | 174.7 | 179.4 | 0 | 0 | 0 | 0 | 108.6 | E1387 | V1385-E1387 PolarHBondContact O-N 2.92Š| ||
| 1386 | D | 73.2 | Confident | 69.5 | Low | 95 Ų | 95 | 81.7 Ų | 81.7 | 51% | 0.508 | 45% | 0.448 | S | S | . | . | trans | -70.1 | 114.3 | -178.5 | -133 | -29.2 | 0 | 0 | 0 | 110.4 | S1384 L1388 Q1389 E1390 | S1384-D1386 PolarHBondContact O-N 3.21Å; D1386-L1388 PolarHBondContact O-N 3.01Å; D1386-Q1389 HydrophobicContact CB-CB 4.36Å; D1386-Q1389 WeakPolarHBondContact O-CB 3.43Å; D1386-Q1389 PolarHBondContact O-N 2.89Å; D1386-E1390 PolarHBondContact O-N 2.81Å | ||
| 1387 | E | 80.3 | Confident | 70.1 | Confident | 108 Ų | 108 | 80.7 Ų | 80.7 | 51% | 0.505 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -57.2 | -19.7 | 179.7 | -62.3 | -168.9 | -176.3 | 0 | 0 | 112.5 | K1224 H1227 V1385 W1391 | K1224-E1387 IonicContact NZ-OE1 2.8Å; K1224-E1387 PolarHBondContact NZ-OE1 2.88Å; K1224-E1387 IonicContact NZ-OE2 2.85Å; K1224-E1387 PolarHBondContact NZ-OE2 3.47Å; H1227-E1387 IonicContact CE1-OE2 2.66Å; H1227-E1387 PolarHBondContact CE1-OE2 2.75Å; V1385-E1387 PolarHBondContact O-N 2.92Å; E1387-W1391 WeakPolarHBondContact O-CB 3.27Å; E1387-W1391 PolarHBondContact O-N 3.29Å; E1387-W1391 VanDerWaalsContact O-N 3.15Å |
| 1388 | L | 79.8 | Confident | 71.2 | Confident | 41 Ų | 41 | 84.9 Ų | 84.9 | 22% | 0.215 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -75.4 | -35.7 | 175.6 | -173.7 | 61.5 | 0 | 0 | 0 | 113 | I1231 L1373 D1386 W1391 A1392 | I1231-L1388 HydrophobicContact CD1-CD1 3.78Å; I1231-L1388 HydrophobicContact CG1-CD1 4.15Å; L1373-L1388 HydrophobicContact CD1-CD1 3.94Å; L1373-L1388 HydrophobicContact CD1-CD2 4.22Å; L1373-L1388 HydrophobicContact CD1-CG 3.91Å; L1373-L1388 HydrophobicContact CD2-CD2 3.75Å; L1373-L1388 HydrophobicContact CD2-CG 4.14Å; D1386-L1388 PolarHBondContact O-N 3.01Å; L1388-W1391 HydrophobicContact CD1-CE3 4.16Å; L1388-W1391 PolarHBondContact O-N 3.2Å; L1388-A1392 WeakPolarHBondContact O-CB 3.46Å; L1388-A1392 PolarHBondContact O-N 3.42Å |
| 1389 | Q | 81.9 | Confident | 72.5 | Confident | 45 Ų | 45 | 82.4 Ų | 82.4 | 21% | 0.21 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -68.3 | -41.5 | 176.1 | -166.6 | -163.8 | 28.4 | 0 | 0 | 110.2 | L1374 S1377 D1386 A1392 R1393 | L1374-Q1389 HydrophobicContact CD2-CG 4.42Å; S1377-Q1389 PolarHBondContact OG-NE2 3.45Å; D1386-Q1389 HydrophobicContact CB-CB 4.36Å; D1386-Q1389 WeakPolarHBondContact O-CB 3.43Å; D1386-Q1389 PolarHBondContact O-N 2.89Å; Q1389-A1392 WeakPolarHBondContact O-CB 3.31Å; Q1389-A1392 PolarHBondContact O-N 3.43Å; Q1389-R1393 WeakPolarHBondContact O-CG 3.24Å; Q1389-R1393 PolarHBondContact O-N 2.99Å |
| 1390 | E | 83.9 | Confident | 74.3 | Confident | 66 Ų | 66 | 74.4 Ų | 74.4 | 31% | 0.308 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -70.1 | -35.7 | 177.4 | -164.6 | 57.3 | -147.5 | 0 | 0 | 112 | D1386 A1392 R1393 H1394 | D1386-E1390 PolarHBondContact O-N 2.81Å; E1390-A1392 VanDerWaalsContact C-N 3.32Å; E1390-A1392 PolarHBondContact O-N 3.15Å; E1390-R1393 PolarHBondContact O-N 3.09Å; E1390-R1393 WeakPolarHBondContact OE2-CD 3.4Å; E1390-R1393 IonicContact OE2-CZ 3.16Å; E1390-R1393 IonicContact OE2-NE 3.22Å; E1390-R1393 IonicContact OE2-NH1 2.92Å; E1390-R1393 PolarHBondContact OE2-NH1 2.83Å; E1390-H1394 WeakPolarHBondContact O-CB 3.49Å; E1390-H1394 PolarHBondContact O-N 3.44Å; E1390-H1394 IonicContact OE1-CE1 2.86Å; E1390-H1394 PolarHBondContact OE1-CE1 2.92Å; E1390-H1394 VanDerWaalsContact OE1-CE1 3.24Å; E1390-H1394 IonicContact OE1-ND1 2.74Å; E1390-H1394 IonicContact OE1-NE2 2.59Å |
| 1391 | W | 88.8 | Confident | 76.4 | Confident | 40 Ų | 40 | 70.4 Ų | 70.4 | 15% | 0.152 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 167.5 | 172.9 | 84.7 | 0 | 0 | 0 | 111.7 | I1231 A1370 L1373 E1387 L1388 H1394 Y1395 | I1231-W1391 HydrophobicContact CD1-CB 4.25Å; I1231-W1391 HydrophobicContact CD1-CD2 3.64Å; I1231-W1391 HydrophobicContact CD1-CE3 4.14Å; I1231-W1391 HydrophobicContact CD1-CG 3.64Å; A1370-W1391 HydrophobicContact CB-CH2 4.16Å; A1370-W1391 HydrophobicContact CB-CZ3 3.93Å; L1373-W1391 HydrophobicContact CD1-CE3 4.41Å; L1373-W1391 HydrophobicContact CD1-CZ3 4.09Å; E1387-W1391 WeakPolarHBondContact O-CB 3.27Å; E1387-W1391 PolarHBondContact O-N 3.29Å; E1387-W1391 VanDerWaalsContact O-N 3.15Å; L1388-W1391 HydrophobicContact CD1-CE3 4.16Å; L1388-W1391 PolarHBondContact O-N 3.2Å; W1391-H1394 PolarHBondContact O-N 3.02Å; W1391-Y1395 HydrophobicContact CH2-CG 4.5Å; W1391-Y1395 HydrophobicContact CZ2-CD2 4.1Å; W1391-Y1395 HydrophobicContact CZ2-CG 4.2Å; W1391-Y1395 WeakPolarHBondContact O-CB 3.5Å; W1391-Y1395 PolarHBondContact O-N 3.46Å |
| 1392 | A | 87.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1370 L1373 L1374 L1388 Q1389 E1390 Y1395 V1396 | A1370-A1392 HydrophobicContact CB-CB 4.34Å; L1373-A1392 HydrophobicContact CB-CB 3.94Å; L1374-A1392 HydrophobicContact CD2-CB 3.97Å; L1374-A1392 HydrophobicContact CG-CB 4.07Å; L1388-A1392 WeakPolarHBondContact O-CB 3.46Å; L1388-A1392 PolarHBondContact O-N 3.42Å; Q1389-A1392 WeakPolarHBondContact O-CB 3.31Å; Q1389-A1392 PolarHBondContact O-N 3.43Å; E1390-A1392 VanDerWaalsContact C-N 3.32Å; E1390-A1392 PolarHBondContact O-N 3.15Å; A1392-Y1395 PolarHBondContact O-N 2.88Å; A1392-V1396 WeakPolarHBondContact O-CB 3.45Å; A1392-V1396 WeakPolarHBondContact O-CG2 3.46Å; A1392-V1396 PolarHBondContact O-N 3.49Å |
| 1393 | R | 87.5 | Confident | 80.8 | Confident | 87 Ų | 87 | 66 Ų | 66 | 33% | 0.328 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.2 | -51.8 | 173.7 | -70.7 | -174.9 | -169 | 124.9 | 1.8 | 111.4 | L1374 Q1389 E1390 Y1395 V1396 R1397 | L1374-R1393 HydrophobicContact CD2-CB 4.44Å; L1374-R1393 HydrophobicContact CD2-CG 3.56Å; Q1389-R1393 WeakPolarHBondContact O-CG 3.24Å; Q1389-R1393 PolarHBondContact O-N 2.99Å; E1390-R1393 PolarHBondContact O-N 3.09Å; E1390-R1393 WeakPolarHBondContact OE2-CD 3.4Å; E1390-R1393 IonicContact OE2-CZ 3.16Å; E1390-R1393 IonicContact OE2-NE 3.22Å; E1390-R1393 IonicContact OE2-NH1 2.92Å; E1390-R1393 PolarHBondContact OE2-NH1 2.83Å; R1393-Y1395 PolarHBondContact O-N 3.41Å; R1393-V1396 PolarHBondContact O-N 3.25Å; R1393-R1397 WeakPolarHBondContact O-CB 3.25Å; R1393-R1397 PolarHBondContact O-N 3.37Å |
| 1394 | H | 86.1 | Confident | 82.9 | Confident | 106 Ų | 106 | 58.7 Ų | 58.7 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | 179 | -77 | -20.8 | 0 | 0 | 0 | 112.8 | E1390 W1391 H1398 | E1390-H1394 WeakPolarHBondContact O-CB 3.49Å; E1390-H1394 PolarHBondContact O-N 3.44Å; E1390-H1394 IonicContact OE1-CE1 2.86Å; E1390-H1394 PolarHBondContact OE1-CE1 2.92Å; E1390-H1394 VanDerWaalsContact OE1-CE1 3.24Å; E1390-H1394 IonicContact OE1-ND1 2.74Å; E1390-H1394 IonicContact OE1-NE2 2.59Å; W1391-H1394 PolarHBondContact O-N 3.02Å; H1394-H1398 WeakPolarHBondContact O-CB 3.49Å; H1394-H1398 PolarHBondContact O-N 3.35Å |
| 1395 | Y | 88.7 | Confident | 84.6 | Confident | 42 Ų | 42 | 54.1 Ų | 54.1 | 17% | 0.165 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66 | -50.4 | 178.3 | -169.2 | -93.1 | 0 | 0 | 0 | 111.2 | T1366 L1367 A1370 W1391 A1392 R1393 H1398 T1399 | T1366-Y1395 PolarHBondContact OG1-OH 2.98Å; L1367-Y1395 HydrophobicContact CB-CE1 4.3Å; A1370-Y1395 HydrophobicContact CB-CD1 3.92Å; W1391-Y1395 HydrophobicContact CH2-CG 4.5Å; W1391-Y1395 HydrophobicContact CZ2-CD2 4.1Å; W1391-Y1395 HydrophobicContact CZ2-CG 4.2Å; W1391-Y1395 WeakPolarHBondContact O-CB 3.5Å; W1391-Y1395 PolarHBondContact O-N 3.46Å; A1392-Y1395 PolarHBondContact O-N 2.88Å; R1393-Y1395 PolarHBondContact O-N 3.41Å; Y1395-H1398 PolarHBondContact O-N 3.22Å; Y1395-T1399 HydrophobicContact CD1-CG2 4.04Å; Y1395-T1399 HydrophobicContact CE1-CG2 3.64Å; Y1395-T1399 PolarHBondContact O-N 3.44Å; Y1395-T1399 PolarHBondContact O-OG1 3.49Å; Y1395-T1399 VanDerWaalsContact O-OG1 3.13Å |
| 1396 | V | 88.4 | Confident | 86.1 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.9 | -47.4 | 178 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | L1367 A1370 L1371 L1374 A1392 R1393 H1398 T1399 W1400 V1432 I1435 | L1367-V1396 HydrophobicContact CD1-CG2 4.29Å; A1370-V1396 HydrophobicContact CB-CG2 3.86Å; L1371-V1396 HydrophobicContact CD2-CG1 4.03Å; L1371-V1396 HydrophobicContact CD2-CG2 3.97Å; L1371-V1396 HydrophobicContact CG-CG2 4.27Å; L1374-V1396 HydrophobicContact CD1-CB 4.11Å; L1374-V1396 HydrophobicContact CD1-CG1 4.38Å; L1374-V1396 HydrophobicContact CD1-CG2 3.86Å; A1392-V1396 WeakPolarHBondContact O-CB 3.45Å; A1392-V1396 WeakPolarHBondContact O-CG2 3.46Å; A1392-V1396 PolarHBondContact O-N 3.49Å; R1393-V1396 PolarHBondContact O-N 3.25Å; V1396-H1398 PolarHBondContact O-N 3.32Å; V1396-T1399 WeakPolarHBondContact CA-OG1 3.45Å; V1396-T1399 PolarHBondContact O-N 3.02Å; V1396-T1399 VanDerWaalsContact O-N 3.16Å; V1396-T1399 PolarHBondContact O-OG1 3.06Å; V1396-W1400 VanDerWaalsContact O-CB 3.23Å; V1396-W1400 WeakPolarHBondContact O-CB 3.42Å; V1396-W1400 PolarHBondContact O-N 2.64Å; V1396-V1432 HydrophobicContact CG1-CG1 4Å; V1396-V1432 HydrophobicContact CG1-CG2 3.79Å; V1396-I1435 HydrophobicContact CG1-CD1 4.13Å |
| 1397 | R | 89.7 | Confident | 86.5 | Confident | 66 Ų | 66 | 58.7 Ų | 58.7 | 25% | 0.249 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -50.2 | -51.7 | 172.4 | 172.7 | 161.5 | 154 | 142.9 | -14.1 | 112.5 | R1393 L1401 I1435 S1436 D1437 | R1393-R1397 WeakPolarHBondContact O-CB 3.25Å; R1393-R1397 PolarHBondContact O-N 3.37Å; R1397-L1401 HydrophobicContact CG-CD1 4.02Å; R1397-L1401 WeakPolarHBondContact O-CB 3.44Å; R1397-L1401 WeakPolarHBondContact O-CG 3.38Å; R1397-L1401 PolarHBondContact O-N 3.38Å; R1397-I1435 HydrophobicContact CB-CD1 4.29Å; R1397-I1435 HydrophobicContact CB-CG2 3.58Å; R1397-I1435 HydrophobicContact CG-CG2 3.45Å; R1397-I1435 VanDerWaalsContact CG-CG2 3.45Å; R1397-S1436 WeakPolarHBondContact CD-O 3.16Å; R1397-S1436 PolarHBondContact NE-O 3.45Å; R1397-S1436 PolarHBondContact NH1-O 2.71Å; R1397-D1437 VanDerWaalsContact CZ-C 3.48Å; R1397-D1437 VanDerWaalsContact CZ-O 3.22Å; R1397-D1437 PolarHBondContact NH1-O 2.87Å; R1397-D1437 PolarHBondContact NH2-O 2.68Å |
| 1398 | H | 88.1 | Confident | 86.7 | Confident | 117 Ų | 117 | 59.5 Ų | 59.5 | 54% | 0.542 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 179.4 | 172 | -101.5 | 0 | 0 | 0 | 112.5 | H1394 Y1395 V1396 K1402 | H1394-H1398 WeakPolarHBondContact O-CB 3.49Å; H1394-H1398 PolarHBondContact O-N 3.35Å; Y1395-H1398 PolarHBondContact O-N 3.22Å; V1396-H1398 PolarHBondContact O-N 3.32Å; H1398-K1402 WeakPolarHBondContact O-CB 3.49Å; H1398-K1402 PolarHBondContact O-N 2.82Å; H1398-K1402 VanDerWaalsContact O-N 3.14Å |
| 1399 | T | 88.1 | Confident | 87.1 | Confident | 29 Ų | 29 | 58 Ų | 58 | 18% | 0.178 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.8 | -40.4 | 176.6 | 52.5 | 0 | 0 | 0 | 0 | 113.3 | Y1395 V1396 A1403 | Y1395-T1399 HydrophobicContact CD1-CG2 4.04Å; Y1395-T1399 HydrophobicContact CE1-CG2 3.64Å; Y1395-T1399 PolarHBondContact O-N 3.44Å; Y1395-T1399 PolarHBondContact O-OG1 3.49Å; Y1395-T1399 VanDerWaalsContact O-OG1 3.13Å; V1396-T1399 WeakPolarHBondContact CA-OG1 3.45Å; V1396-T1399 PolarHBondContact O-N 3.02Å; V1396-T1399 VanDerWaalsContact O-N 3.16Å; V1396-T1399 PolarHBondContact O-OG1 3.06Å; T1399-A1403 PolarHBondContact O-N 2.72Å; T1399-A1403 VanDerWaalsContact O-N 3.11Å |
| 1400 | W | 91.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.9 | -55.1 | -178.6 | 173 | -128.8 | 0 | 0 | 0 | 111.5 | V1396 K1402 A1403 A1404 V1414 F1417 L1418 V1432 V1433 A1443 L1459 | V1396-W1400 VanDerWaalsContact O-CB 3.23Å; V1396-W1400 WeakPolarHBondContact O-CB 3.42Å; V1396-W1400 PolarHBondContact O-N 2.64Å; W1400-K1402 VanDerWaalsContact C-N 3.26Å; W1400-K1402 PolarHBondContact O-N 3.34Å; W1400-A1403 WeakPolarHBondContact O-CA 3.45Å; W1400-A1403 WeakPolarHBondContact O-CB 3.26Å; W1400-A1403 PolarHBondContact O-N 2.96Å; W1400-A1404 HydrophobicContact CE3-CB 4.35Å; W1400-A1404 HydrophobicContact CH2-CB 4.06Å; W1400-A1404 HydrophobicContact CZ2-CB 4.24Å; W1400-A1404 HydrophobicContact CZ3-CB 4.13Å; W1400-A1404 PolarHBondContact O-N 3.49Å; W1400-V1414 HydrophobicContact CH2-CG1 3.96Å; W1400-V1414 HydrophobicContact CZ3-CG1 4.02Å; W1400-F1417 HydrophobicContact CB-CE1 4.18Å; W1400-F1417 HydrophobicContact CB-CZ 4.07Å; W1400-F1417 HydrophobicContact CD2-CD1 4.43Å; W1400-F1417 HydrophobicContact CD2-CE1 4.12Å; W1400-F1417 AromaticContact CE3-CD1 3.4Å; W1400-F1417 HydrophobicContact CE3-CD1 3.4Å; W1400-F1417 AromaticContact CE3-CE1 3.47Å; W1400-F1417 HydrophobicContact CE3-CE1 3.47Å; W1400-F1417 VanDerWaalsContact CE3-CE1 3.47Å; W1400-F1417 HydrophobicContact CE3-CG 4.12Å; W1400-F1417 HydrophobicContact CE3-CZ 4.24Å; W1400-F1417 HydrophobicContact CG-CE1 4.43Å; W1400-F1417 AromaticContact CZ3-CD1 3.68Å; W1400-F1417 HydrophobicContact CZ3-CD1 3.68Å; W1400-F1417 HydrophobicContact CZ3-CE1 4.2Å; W1400-F1417 HydrophobicContact CZ3-CG 4.32Å; W1400-L1418 HydrophobicContact CH2-CD1 4.4Å; W1400-L1418 HydrophobicContact CH2-CD2 3.56Å; W1400-L1418 HydrophobicContact CH2-CG 3.95Å; W1400-L1418 HydrophobicContact CZ2-CD2 4.25Å; W1400-L1418 HydrophobicContact CZ3-CD2 4.11Å; W1400-L1418 HydrophobicContact CZ3-CG 4.22Å; W1400-V1432 HydrophobicContact CB-CG1 4.42Å; W1400-V1432 HydrophobicContact CD2-CG1 4.32Å; W1400-V1432 HydrophobicContact CG-CG1 4.1Å; W1400-V1432 PolarHBondContact NE1-O 2.82Å; W1400-V1433 HydrophobicContact CZ2-CG2 4.45Å; W1400-A1443 HydrophobicContact CZ2-CB 3.89Å; W1400-L1459 HydrophobicContact CH2-CD2 3.77Å; W1400-L1459 HydrophobicContact CZ2-CD2 3.63Å |
| 1401 | L | 89.5 | Confident | 87.6 | Confident | 27 Ų | 27 | 58.5 Ų | 58.5 | 14% | 0.141 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62 | -35.4 | 177 | -65.2 | 174.7 | 0 | 0 | 0 | 111.1 | R1397 A1403 A1405 D1437 A1443 | R1397-L1401 HydrophobicContact CG-CD1 4.02Å; R1397-L1401 WeakPolarHBondContact O-CB 3.44Å; R1397-L1401 WeakPolarHBondContact O-CG 3.38Å; R1397-L1401 PolarHBondContact O-N 3.38Å; L1401-A1403 PolarHBondContact O-N 3.13Å; L1401-A1405 HydrophobicContact CB-CB 4.23Å; L1401-A1405 HydrophobicContact CD2-CB 4.18Å; L1401-A1405 WeakPolarHBondContact O-CA 3.4Å; L1401-A1405 WeakPolarHBondContact O-CB 3.33Å; L1401-A1405 PolarHBondContact O-N 3.11Å; L1401-D1437 HydrophobicContact CD1-CB 4.08Å; L1401-A1443 HydrophobicContact CD2-CB 4.37Å |
| 1402 | K | 87.4 | Confident | 87.6 | Confident | 102 Ų | 102 | 59.2 Ų | 59.2 | 44% | 0.443 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.2 | -26.1 | 173.9 | -178.1 | -177.5 | 170.4 | -162.1 | 0 | 113.4 | H1398 W1400 R1406 | H1398-K1402 WeakPolarHBondContact O-CB 3.49Å; H1398-K1402 PolarHBondContact O-N 2.82Å; H1398-K1402 VanDerWaalsContact O-N 3.14Å; W1400-K1402 VanDerWaalsContact C-N 3.26Å; W1400-K1402 PolarHBondContact O-N 3.34Å; K1402-R1406 WeakPolarHBondContact O-CD 3.01Å; K1402-R1406 PolarHBondContact O-NE 2.89Å; K1402-R1406 VanDerWaalsContact O-NE 3.1Å |
| 1403 | A | 85.5 | Confident | 87.6 | Confident | 23 Ų | 23 | 63.9 Ų | 63.9 | 19% | 0.19 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -82.7 | -53 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1399 W1400 L1401 A1409 | T1399-A1403 PolarHBondContact O-N 2.72Å; T1399-A1403 VanDerWaalsContact O-N 3.11Å; W1400-A1403 WeakPolarHBondContact O-CA 3.45Å; W1400-A1403 WeakPolarHBondContact O-CB 3.26Å; W1400-A1403 PolarHBondContact O-N 2.96Å; L1401-A1403 PolarHBondContact O-N 3.13Å; A1403-A1409 WeakPolarHBondContact O-CB 3.27Å |
| 1404 | A | 88.9 | Confident | 87.7 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.008 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -92.8 | -32.9 | -170 | 0 | 0 | 0 | 0 | 0 | 115 | W1400 R1406 V1414 A1443 V1455 | W1400-A1404 HydrophobicContact CE3-CB 4.35Å; W1400-A1404 HydrophobicContact CH2-CB 4.06Å; W1400-A1404 HydrophobicContact CZ2-CB 4.24Å; W1400-A1404 HydrophobicContact CZ3-CB 4.13Å; W1400-A1404 PolarHBondContact O-N 3.49Å; A1404-R1406 PolarHBondContact O-N 3.26Å; A1404-R1406 VanDerWaalsContact O-N 3.1Å; A1404-V1414 HydrophobicContact CB-CG1 4.45Å; A1404-V1414 HydrophobicContact CB-CG2 4.03Å; A1404-A1443 HydrophobicContact CB-CB 3.93Å; A1404-V1455 HydrophobicContact CB-CG1 4.49Å |
| 1405 | A | 86.7 | Confident | 88 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 13% | 0.132 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -85.5 | 27.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1401 Y1446 | L1401-A1405 HydrophobicContact CB-CB 4.23Å; L1401-A1405 HydrophobicContact CD2-CB 4.18Å; L1401-A1405 WeakPolarHBondContact O-CA 3.4Å; L1401-A1405 WeakPolarHBondContact O-CB 3.33Å; L1401-A1405 PolarHBondContact O-N 3.11Å; A1405-Y1446 HydrophobicContact CB-CD1 4.42Å; A1405-Y1446 HydrophobicContact CB-CD2 3.58Å; A1405-Y1446 HydrophobicContact CB-CE2 4.35Å; A1405-Y1446 HydrophobicContact CB-CG 3.62Å |
| 1406 | R | 86.1 | Confident | 87.9 | Confident | 125 Ų | 125 | 62.5 Ų | 62.5 | 47% | 0.472 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -110.1 | 141.8 | 179.5 | -69.3 | -179.5 | 166.6 | -148.9 | -12 | 110.2 | K1402 A1404 T1408 A1409 | K1402-R1406 WeakPolarHBondContact O-CD 3.01Å; K1402-R1406 PolarHBondContact O-NE 2.89Å; K1402-R1406 VanDerWaalsContact O-NE 3.1Å; A1404-R1406 PolarHBondContact O-N 3.26Å; A1404-R1406 VanDerWaalsContact O-N 3.1Å; R1406-T1408 PolarHBondContact O-N 3.2Å; R1406-A1409 HydrophobicContact CB-CB 4.14Å; R1406-A1409 WeakPolarHBondContact O-CB 3.33Å; R1406-A1409 PolarHBondContact O-N 3Å |
| 1407 | R | 82.7 | Confident | 87.9 | Confident | 192 Ų | 192 | 63.1 Ų | 63.1 | 73% | 0.725 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -34 | 168.3 | -172.3 | 173.5 | -174.3 | -161.1 | -0.8 | 112 | H1450 | R1407-H1450 HydrophobicContact CB-CB 4.01Å; R1407-H1450 HydrophobicContact CG-CB 4.13Å; R1407-H1450 PolarHBondContact N-CD2 2.82Å |
| 1408 | T | 84 | Confident | 87.9 | Confident | 124 Ų | 124 | 60.5 Ų | 60.5 | 76% | 0.761 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | 38.5 | 172.6 | 52.2 | 0 | 0 | 0 | 0 | 112.7 | R1406 | R1406-T1408 PolarHBondContact O-N 3.2Š|
| 1409 | A | 87 | Confident | 88 | Confident | 11 Ų | 11 | 60.1 Ų | 60.1 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | trans | -70.3 | 127.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | A1403 R1406 N1452 V1455 | A1403-A1409 WeakPolarHBondContact O-CB 3.27Å; R1406-A1409 HydrophobicContact CB-CB 4.14Å; R1406-A1409 WeakPolarHBondContact O-CB 3.33Å; R1406-A1409 PolarHBondContact O-N 3Å; A1409-N1452 PolarHBondContact O-ND2 3.29Å; A1409-V1455 HydrophobicContact CB-CG2 4.15Å | ||
| 1410 | D | 87.1 | Confident | 87.9 | Confident | 94 Ų | 94 | 60.2 Ų | 60.2 | 50% | 0.503 | 30% | 0.299 | S | S | . | . | trans | -82.5 | 116.5 | 174.7 | 164.6 | 17.7 | 0 | 0 | 0 | 109.7 | A1412 Q1413 V1414 | D1410-A1412 VanDerWaalsContact C-N 3.31Å; D1410-A1412 PolarHBondContact O-N 3.19Å; D1410-A1412 WeakPolarHBondContact OD1-CB 3.38Å; D1410-A1412 PolarHBondContact OD1-N 3.02Å; D1410-Q1413 HydrophobicContact CB-CB 4.03Å; D1410-Q1413 PolarHBondContact O-N 2.92Å; D1410-Q1413 VanDerWaalsContact O-N 3.16Å; D1410-Q1413 PolarHBondContact OD1-N 3.29Å; D1410-Q1413 VanDerWaalsContact OD2-CB 3.24Å; D1410-Q1413 WeakPolarHBondContact OD2-CB 3.37Å; D1410-Q1413 PolarHBondContact OD2-N 3Å; D1410-V1414 WeakPolarHBondContact O-CG2 3.28Å; D1410-V1414 PolarHBondContact O-N 2.84Å | ||
| 1411 | A | 89.5 | Confident | 87.7 | Confident | 26 Ų | 26 | 60.2 Ų | 60.2 | 22% | 0.215 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.1 | -41.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q1413 V1414 E1415 D1454 V1455 L1458 | A1411-Q1413 VanDerWaalsContact C-N 3.34Å; A1411-Q1413 PolarHBondContact O-N 2.89Å; A1411-V1414 PolarHBondContact O-N 3.05Å; A1411-E1415 WeakPolarHBondContact O-CB 3.47Å; A1411-E1415 PolarHBondContact O-N 2.93Å; A1411-D1454 HydrophobicContact CB-CB 3.9Å; A1411-V1455 HydrophobicContact CB-CG2 4.33Å; A1411-L1458 HydrophobicContact CB-CD1 3.8Å; A1411-L1458 WeakPolarHBondContact O-CD1 3.48Å |
| 1412 | A | 88.4 | Confident | 87.6 | Confident | 56 Ų | 56 | 63.3 Ų | 63.3 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.4 | -34.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1410 K1416 | D1410-A1412 VanDerWaalsContact C-N 3.31Å; D1410-A1412 PolarHBondContact O-N 3.19Å; D1410-A1412 WeakPolarHBondContact OD1-CB 3.38Å; D1410-A1412 PolarHBondContact OD1-N 3.02Å; A1412-K1416 WeakPolarHBondContact O-CB 3.47Å; A1412-K1416 PolarHBondContact O-N 3.13Å |
| 1413 | Q | 87.5 | Confident | 87.6 | Confident | 97 Ų | 97 | 64 Ų | 64 | 45% | 0.453 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -74.6 | -28.1 | 173.9 | -176.6 | 55 | 88 | 0 | 0 | 112.5 | D1410 A1411 F1417 | D1410-Q1413 HydrophobicContact CB-CB 4.03Å; D1410-Q1413 PolarHBondContact O-N 2.92Å; D1410-Q1413 VanDerWaalsContact O-N 3.16Å; D1410-Q1413 PolarHBondContact OD1-N 3.29Å; D1410-Q1413 VanDerWaalsContact OD2-CB 3.24Å; D1410-Q1413 WeakPolarHBondContact OD2-CB 3.37Å; D1410-Q1413 PolarHBondContact OD2-N 3Å; A1411-Q1413 VanDerWaalsContact C-N 3.34Å; A1411-Q1413 PolarHBondContact O-N 2.89Å; Q1413-F1417 WeakPolarHBondContact O-CB 3.46Å; Q1413-F1417 PolarHBondContact O-N 2.89Å |
| 1414 | V | 90.6 | Very high | 87.5 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.8 | -49.2 | 170.3 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | W1400 A1404 D1410 A1411 K1416 F1417 L1418 V1455 | W1400-V1414 HydrophobicContact CH2-CG1 3.96Å; W1400-V1414 HydrophobicContact CZ3-CG1 4.02Å; A1404-V1414 HydrophobicContact CB-CG1 4.45Å; A1404-V1414 HydrophobicContact CB-CG2 4.03Å; D1410-V1414 WeakPolarHBondContact O-CG2 3.28Å; D1410-V1414 PolarHBondContact O-N 2.84Å; A1411-V1414 PolarHBondContact O-N 3.05Å; V1414-K1416 VanDerWaalsContact C-N 3.31Å; V1414-K1416 PolarHBondContact O-N 3.42Å; V1414-F1417 WeakPolarHBondContact O-CA 3.4Å; V1414-F1417 WeakPolarHBondContact O-CB 3.23Å; V1414-F1417 PolarHBondContact O-N 3.25Å; V1414-L1418 HydrophobicContact CG1-CD1 3.86Å; V1414-L1418 HydrophobicContact CG1-CG 4.37Å; V1414-L1418 WeakPolarHBondContact O-CG 2.97Å; V1414-L1418 PolarHBondContact O-N 3.27Å; V1414-V1455 HydrophobicContact CG1-CG1 4.42Å; V1414-V1455 HydrophobicContact CG2-CG2 4.24Å |
| 1415 | E | 91.5 | Very high | 87.4 | Confident | 74 Ų | 74 | 67.2 Ų | 67.2 | 35% | 0.346 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -54.5 | -46.4 | 175.9 | -172.5 | -156.4 | -167.6 | 0 | 0 | 111.6 | A1411 F1417 L1418 K1419 L1458 | A1411-E1415 WeakPolarHBondContact O-CB 3.47Å; A1411-E1415 PolarHBondContact O-N 2.93Å; E1415-F1417 VanDerWaalsContact C-N 3.27Å; E1415-F1417 PolarHBondContact O-N 3.25Å; E1415-L1418 PolarHBondContact O-N 3.45Å; E1415-K1419 HydrophobicContact CG-CD 4.2Å; E1415-K1419 WeakPolarHBondContact O-CG 3.1Å; E1415-K1419 PolarHBondContact O-N 3.33Å; E1415-K1419 WeakPolarHBondContact OE1-CE 3.41Å; E1415-K1419 IonicContact OE1-NZ 3.5Å; E1415-K1419 PolarHBondContact OE1-NZ 3.49Å; E1415-L1458 HydrophobicContact CB-CD1 4Å; E1415-L1458 HydrophobicContact CB-CD2 4.12Å; E1415-L1458 HydrophobicContact CG-CD2 4.05Å |
| 1416 | K | 88 | Confident | 87.4 | Confident | 131 Ų | 131 | 70.5 Ų | 70.5 | 57% | 0.57 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.7 | -30 | 176.4 | -175.5 | 172.9 | -175.2 | 169.9 | 0 | 113.5 | A1412 V1414 L1420 | A1412-K1416 WeakPolarHBondContact O-CB 3.47Å; A1412-K1416 PolarHBondContact O-N 3.13Å; V1414-K1416 VanDerWaalsContact C-N 3.31Å; V1414-K1416 PolarHBondContact O-N 3.42Å; K1416-L1420 PolarHBondContact O-N 3.13Å |
| 1417 | F | 87.9 | Confident | 87.3 | Confident | 14 Ų | 14 | 70.7 Ų | 70.7 | 6% | 0.061 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -74.7 | -44.9 | 173.6 | -171 | -76.3 | 0 | 0 | 0 | 110.5 | L1367 W1400 Q1413 V1414 E1415 K1419 L1420 V1421 V1432 | L1367-F1417 HydrophobicContact CD1-CE2 3.98Å; L1367-F1417 HydrophobicContact CD1-CZ 4.04Å; L1367-F1417 HydrophobicContact CD2-CD2 4.02Å; L1367-F1417 HydrophobicContact CD2-CE2 3.51Å; L1367-F1417 HydrophobicContact CD2-CZ 4.29Å; L1367-F1417 HydrophobicContact CG-CE2 4.39Å; W1400-F1417 HydrophobicContact CB-CE1 4.18Å; W1400-F1417 HydrophobicContact CB-CZ 4.07Å; W1400-F1417 HydrophobicContact CD2-CD1 4.43Å; W1400-F1417 HydrophobicContact CD2-CE1 4.12Å; W1400-F1417 AromaticContact CE3-CD1 3.4Å; W1400-F1417 HydrophobicContact CE3-CD1 3.4Å; W1400-F1417 AromaticContact CE3-CE1 3.47Å; W1400-F1417 HydrophobicContact CE3-CE1 3.47Å; W1400-F1417 VanDerWaalsContact CE3-CE1 3.47Å; W1400-F1417 HydrophobicContact CE3-CG 4.12Å; W1400-F1417 HydrophobicContact CE3-CZ 4.24Å; W1400-F1417 HydrophobicContact CG-CE1 4.43Å; W1400-F1417 AromaticContact CZ3-CD1 3.68Å; W1400-F1417 HydrophobicContact CZ3-CD1 3.68Å; W1400-F1417 HydrophobicContact CZ3-CE1 4.2Å; W1400-F1417 HydrophobicContact CZ3-CG 4.32Å; Q1413-F1417 WeakPolarHBondContact O-CB 3.46Å; Q1413-F1417 PolarHBondContact O-N 2.89Å; V1414-F1417 WeakPolarHBondContact O-CA 3.4Å; V1414-F1417 WeakPolarHBondContact O-CB 3.23Å; V1414-F1417 PolarHBondContact O-N 3.25Å; E1415-F1417 VanDerWaalsContact C-N 3.27Å; E1415-F1417 PolarHBondContact O-N 3.25Å; F1417-K1419 PolarHBondContact O-N 3.28Å; F1417-L1420 WeakPolarHBondContact O-CB 3.37Å; F1417-L1420 PolarHBondContact O-N 3.16Å; F1417-L1420 VanDerWaalsContact O-N 3.13Å; F1417-V1421 HydrophobicContact CD1-CG2 4.02Å; F1417-V1421 HydrophobicContact CE1-CG2 3.82Å; F1417-V1421 WeakPolarHBondContact O-CG2 3.49Å; F1417-V1421 PolarHBondContact O-N 3.46Å; F1417-V1421 VanDerWaalsContact O-N 3.12Å; F1417-V1432 HydrophobicContact CE1-CG1 4Å |
| 1418 | L | 90.6 | Very high | 87.4 | Confident | 11 Ų | 11 | 62 Ų | 62 | 6% | 0.058 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.4 | -49.1 | 176.6 | -70.9 | 165.8 | 0 | 0 | 0 | 111.2 | W1400 V1414 E1415 L1420 V1421 E1422 L1429 V1433 L1458 | W1400-L1418 HydrophobicContact CH2-CD1 4.4Å; W1400-L1418 HydrophobicContact CH2-CD2 3.56Å; W1400-L1418 HydrophobicContact CH2-CG 3.95Å; W1400-L1418 HydrophobicContact CZ2-CD2 4.25Å; W1400-L1418 HydrophobicContact CZ3-CD2 4.11Å; W1400-L1418 HydrophobicContact CZ3-CG 4.22Å; V1414-L1418 HydrophobicContact CG1-CD1 3.86Å; V1414-L1418 HydrophobicContact CG1-CG 4.37Å; V1414-L1418 WeakPolarHBondContact O-CG 2.97Å; V1414-L1418 PolarHBondContact O-N 3.27Å; E1415-L1418 PolarHBondContact O-N 3.45Å; L1418-L1420 VanDerWaalsContact C-N 3.29Å; L1418-L1420 PolarHBondContact O-N 3.41Å; L1418-V1421 PolarHBondContact O-N 3.06Å; L1418-E1422 WeakPolarHBondContact O-CB 3.24Å; L1418-E1422 PolarHBondContact O-N 3.48Å; L1418-L1429 HydrophobicContact CD2-CD1 4.02Å; L1418-V1433 HydrophobicContact CD2-CG2 3.69Å; L1418-L1458 HydrophobicContact CD1-CB 4.37Å |
| 1419 | K | 88.5 | Confident | 87.6 | Confident | 108 Ų | 108 | 56.2 Ų | 56.2 | 47% | 0.47 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.5 | -34 | 175.5 | -72.5 | 173 | 172.9 | 175.2 | 0 | 113.4 | E1415 F1417 T1423 | E1415-K1419 HydrophobicContact CG-CD 4.2Å; E1415-K1419 WeakPolarHBondContact O-CG 3.1Å; E1415-K1419 PolarHBondContact O-N 3.33Å; E1415-K1419 WeakPolarHBondContact OE1-CE 3.41Å; E1415-K1419 IonicContact OE1-NZ 3.5Å; E1415-K1419 PolarHBondContact OE1-NZ 3.49Å; F1417-K1419 PolarHBondContact O-N 3.28Å; K1419-T1423 WeakPolarHBondContact O-CG2 3.41Å; K1419-T1423 PolarHBondContact O-N 3.13Å; K1419-T1423 VanDerWaalsContact O-N 3.15Å; K1419-T1423 PolarHBondContact O-OG1 2.99Å |
| 1420 | L | 86.5 | Confident | 87.6 | Confident | 32 Ų | 32 | 59.9 Ų | 59.9 | 17% | 0.168 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.1 | -30.2 | 175.5 | -177.8 | 65.8 | 0 | 0 | 0 | 112.8 | L1367 E1368 K1416 F1417 L1418 T1423 | L1367-L1420 HydrophobicContact CD2-CD2 4.16Å; E1368-L1420 HydrophobicContact CG-CD1 4.46Å; E1368-L1420 HydrophobicContact CG-CD2 4.32Å; K1416-L1420 PolarHBondContact O-N 3.13Å; F1417-L1420 WeakPolarHBondContact O-CB 3.37Å; F1417-L1420 PolarHBondContact O-N 3.16Å; F1417-L1420 VanDerWaalsContact O-N 3.13Å; L1418-L1420 VanDerWaalsContact C-N 3.29Å; L1418-L1420 PolarHBondContact O-N 3.41Å; L1420-T1423 PolarHBondContact O-OG1 2.6Å |
| 1421 | V | 87.2 | Confident | 87.6 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -82.8 | -41.5 | 175.6 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | L1371 F1417 L1418 T1423 R1424 G1425 L1428 L1429 V1432 | L1371-V1421 HydrophobicContact CD1-CG2 4.1Å; L1371-V1421 HydrophobicContact CD2-CG2 4.01Å; F1417-V1421 HydrophobicContact CD1-CG2 4.02Å; F1417-V1421 HydrophobicContact CE1-CG2 3.82Å; F1417-V1421 WeakPolarHBondContact O-CG2 3.49Å; F1417-V1421 PolarHBondContact O-N 3.46Å; F1417-V1421 VanDerWaalsContact O-N 3.12Å; L1418-V1421 PolarHBondContact O-N 3.06Å; V1421-T1423 VanDerWaalsContact C-N 3.34Å; V1421-T1423 PolarHBondContact O-N 3.22Å; V1421-R1424 WeakPolarHBondContact O-CB 3.45Å; V1421-R1424 PolarHBondContact O-N 2.84Å; V1421-R1424 VanDerWaalsContact O-N 3.09Å; V1421-G1425 PolarHBondContact O-N 2.92Å; V1421-L1428 HydrophobicContact CG1-CB 4.42Å; V1421-L1428 HydrophobicContact CG1-CD2 4.3Å; V1421-L1428 HydrophobicContact CG1-CG 3.95Å; V1421-L1429 HydrophobicContact CB-CD1 4.15Å; V1421-L1429 HydrophobicContact CG1-CB 4.22Å; V1421-L1429 HydrophobicContact CG1-CD1 4.16Å; V1421-V1432 HydrophobicContact CG1-CB 4.19Å; V1421-V1432 HydrophobicContact CG1-CG2 4.11Å; V1421-V1432 HydrophobicContact CG2-CG1 4.36Å |
| 1422 | E | 87.1 | Confident | 87.5 | Confident | 92 Ų | 92 | 57.7 Ų | 57.7 | 43% | 0.43 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 178.4 | -179.4 | 168 | -136.8 | 0 | 0 | 112.4 | L1418 R1424 G1425 Q1426 L1429 | L1418-E1422 WeakPolarHBondContact O-CB 3.24Å; L1418-E1422 PolarHBondContact O-N 3.48Å; E1422-R1424 PolarHBondContact O-N 2.85Å; E1422-G1425 PolarHBondContact O-N 3.01Å; E1422-G1425 VanDerWaalsContact O-N 3.11Å; E1422-Q1426 PolarHBondContact OE1-NE2 3.15Å; E1422-L1429 HydrophobicContact CB-CD2 4.12Å; E1422-L1429 HydrophobicContact CG-CD2 4.29Å |
| 1423 | T | 87.5 | Confident | 87.5 | Confident | 117 Ų | 117 | 55.2 Ų | 55.2 | 72% | 0.718 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -6.6 | 177.1 | 44.7 | 0 | 0 | 0 | 0 | 114.8 | K1419 L1420 V1421 | K1419-T1423 WeakPolarHBondContact O-CG2 3.41Å; K1419-T1423 PolarHBondContact O-N 3.13Å; K1419-T1423 VanDerWaalsContact O-N 3.15Å; K1419-T1423 PolarHBondContact O-OG1 2.99Å; L1420-T1423 PolarHBondContact O-OG1 2.6Å; V1421-T1423 VanDerWaalsContact C-N 3.34Å; V1421-T1423 PolarHBondContact O-N 3.22Å |
| 1424 | R | 84.9 | Confident | 87.7 | Confident | 65 Ų | 65 | 51.1 Ų | 51.1 | 25% | 0.245 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -26.9 | 174.3 | -69.8 | 168.4 | 169.4 | -103.1 | 7.1 | 113.8 | E1368 E1375 V1421 E1422 L1428 | E1368-R1424 PolarHBondContact O-NH1 3.22Å; E1368-R1424 PolarHBondContact O-NH2 3.46Å; E1375-R1424 IonicContact OE2-CZ 2.94Å; E1375-R1424 IonicContact OE2-NH1 2.86Å; E1375-R1424 PolarHBondContact OE2-NH1 2.74Å; V1421-R1424 WeakPolarHBondContact O-CB 3.45Å; V1421-R1424 PolarHBondContact O-N 2.84Å; V1421-R1424 VanDerWaalsContact O-N 3.09Å; E1422-R1424 PolarHBondContact O-N 2.85Å; R1424-L1428 HydrophobicContact CB-CD2 4.1Å |
| 1425 | G | 85.8 | Confident | 87.6 | Confident | 26 Ų | 26 | 52.2 Ų | 52.2 | 27% | 0.268 | 26% | 0.255 | S | S | . | . | trans | 154.7 | 141.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | V1421 E1422 Q1427 L1428 L1429 | V1421-G1425 PolarHBondContact O-N 2.92Å; E1422-G1425 PolarHBondContact O-N 3.01Å; E1422-G1425 VanDerWaalsContact O-N 3.11Å; G1425-Q1427 VanDerWaalsContact C-N 3.29Å; G1425-Q1427 PolarHBondContact O-N 3.3Å; G1425-L1428 WeakPolarHBondContact O-CB 3.31Å; G1425-L1428 PolarHBondContact O-N 3.49Å; G1425-L1429 PolarHBondContact O-N 2.89Å | ||
| 1426 | Q | 86.3 | Confident | 87.5 | Confident | 85 Ų | 85 | 49.5 Ų | 49.5 | 40% | 0.397 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.9 | -33.5 | -179 | -68.8 | -67.7 | -23.4 | 0 | 0 | 113.3 | E1422 L1429 K1430 | E1422-Q1426 PolarHBondContact OE1-NE2 3.15Å; Q1426-L1429 PolarHBondContact O-N 2.91Å; Q1426-K1430 WeakPolarHBondContact O-CB 3.33Å; Q1426-K1430 PolarHBondContact O-N 2.8Å |
| 1427 | Q | 84 | Confident | 87.5 | Confident | 129 Ų | 129 | 44.3 Ų | 44.3 | 60% | 0.603 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -67.7 | -35 | 175.3 | -175.4 | 61.7 | 12.8 | 0 | 0 | 112.3 | G1425 M1431 | G1425-Q1427 VanDerWaalsContact C-N 3.29Å; G1425-Q1427 PolarHBondContact O-N 3.3Å; Q1427-M1431 WeakPolarHBondContact O-CB 3.43Å; Q1427-M1431 PolarHBondContact O-N 2.98Å |
| 1428 | L | 85.7 | Confident | 87.4 | Confident | 10 Ų | 10 | 50.9 Ų | 50.9 | 5% | 0.052 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.6 | -39.3 | 173.3 | -174.6 | 63.8 | 0 | 0 | 0 | 110.8 | L1371 L1374 E1375 V1421 R1424 G1425 M1431 V1432 | L1371-L1428 HydrophobicContact CB-CD2 4.28Å; L1371-L1428 HydrophobicContact CD2-CD2 4.1Å; L1374-L1428 HydrophobicContact CB-CD1 3.55Å; L1374-L1428 HydrophobicContact CD1-CD1 4.16Å; E1375-L1428 HydrophobicContact CB-CD2 4.38Å; V1421-L1428 HydrophobicContact CG1-CB 4.42Å; V1421-L1428 HydrophobicContact CG1-CD2 4.3Å; V1421-L1428 HydrophobicContact CG1-CG 3.95Å; R1424-L1428 HydrophobicContact CB-CD2 4.1Å; G1425-L1428 WeakPolarHBondContact O-CB 3.31Å; G1425-L1428 PolarHBondContact O-N 3.49Å; L1428-M1431 PolarHBondContact O-N 3.48Å; L1428-V1432 HydrophobicContact CD1-CG2 4.1Å; L1428-V1432 HydrophobicContact CG-CG2 4.27Å; L1428-V1432 WeakPolarHBondContact O-CB 3.38Å; L1428-V1432 VanDerWaalsContact O-CG2 3.27Å; L1428-V1432 WeakPolarHBondContact O-CG2 3.34Å; L1428-V1432 PolarHBondContact O-N 2.63Å |
| 1429 | L | 87.9 | Confident | 87 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.7 | -49.6 | 173.4 | -175 | 66.2 | 0 | 0 | 0 | 111.4 | L1418 V1421 E1422 G1425 Q1426 M1431 V1432 V1433 Q1464 | L1418-L1429 HydrophobicContact CD2-CD1 4.02Å; V1421-L1429 HydrophobicContact CB-CD1 4.15Å; V1421-L1429 HydrophobicContact CG1-CB 4.22Å; V1421-L1429 HydrophobicContact CG1-CD1 4.16Å; E1422-L1429 HydrophobicContact CB-CD2 4.12Å; E1422-L1429 HydrophobicContact CG-CD2 4.29Å; G1425-L1429 PolarHBondContact O-N 2.89Å; Q1426-L1429 PolarHBondContact O-N 2.91Å; L1429-M1431 PolarHBondContact O-N 2.87Å; L1429-V1432 PolarHBondContact O-N 3.5Å; L1429-V1433 HydrophobicContact CD1-CG2 3.97Å; L1429-V1433 HydrophobicContact CG-CG2 4.29Å; L1429-V1433 WeakPolarHBondContact O-CB 3.48Å; L1429-V1433 VanDerWaalsContact O-CG2 3.32Å; L1429-V1433 WeakPolarHBondContact O-CG2 3.49Å; L1429-V1433 PolarHBondContact O-N 2.66Å; L1429-Q1464 HydrophobicContact CD2-CG 4.05Å; L1429-Q1464 HydrophobicContact CG-CG 4.26Å |
| 1430 | K | 87.8 | Confident | 86.9 | Confident | 88 Ų | 88 | 51 Ų | 51 | 38% | 0.383 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.5 | -43.3 | 175.3 | -174.6 | 170.5 | -176.6 | 167.8 | 0 | 112.5 | Q1426 N1434 Q1464 | Q1426-K1430 WeakPolarHBondContact O-CB 3.33Å; Q1426-K1430 PolarHBondContact O-N 2.8Å; K1430-N1434 WeakPolarHBondContact O-CB 3.31Å; K1430-N1434 PolarHBondContact O-N 3.29Å; K1430-N1434 PolarHBondContact O-ND2 2.81Å; K1430-Q1464 HydrophobicContact CB-CB 4.01Å; K1430-Q1464 HydrophobicContact CB-CG 4.26Å; K1430-Q1464 HydrophobicContact CG-CB 4.32Å |
| 1431 | M | 86.7 | Confident | 87.1 | Confident | 72 Ų | 72 | 50.1 Ų | 50.1 | 36% | 0.355 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.3 | -50.6 | 174.9 | -172.5 | -172.5 | -60.1 | 0 | 0 | 111.2 | Q1427 L1428 L1429 I1435 | Q1427-M1431 WeakPolarHBondContact O-CB 3.43Å; Q1427-M1431 PolarHBondContact O-N 2.98Å; L1428-M1431 PolarHBondContact O-N 3.48Å; L1429-M1431 PolarHBondContact O-N 2.87Å; M1431-I1435 WeakPolarHBondContact O-CG1 3.5Å; M1431-I1435 PolarHBondContact O-N 2.75Å |
| 1432 | V | 87.4 | Confident | 87.3 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71 | -45.6 | -171.7 | 173.5 | 0 | 0 | 0 | 0 | 112.5 | L1371 V1396 W1400 F1417 V1421 L1428 L1429 N1434 I1435 | L1371-V1432 HydrophobicContact CD2-CG2 4.21Å; V1396-V1432 HydrophobicContact CG1-CG1 4Å; V1396-V1432 HydrophobicContact CG1-CG2 3.79Å; W1400-V1432 HydrophobicContact CB-CG1 4.42Å; W1400-V1432 HydrophobicContact CD2-CG1 4.32Å; W1400-V1432 HydrophobicContact CG-CG1 4.1Å; W1400-V1432 PolarHBondContact NE1-O 2.82Å; F1417-V1432 HydrophobicContact CE1-CG1 4Å; V1421-V1432 HydrophobicContact CG1-CB 4.19Å; V1421-V1432 HydrophobicContact CG1-CG2 4.11Å; V1421-V1432 HydrophobicContact CG2-CG1 4.36Å; L1428-V1432 HydrophobicContact CD1-CG2 4.1Å; L1428-V1432 HydrophobicContact CG-CG2 4.27Å; L1428-V1432 WeakPolarHBondContact O-CB 3.38Å; L1428-V1432 VanDerWaalsContact O-CG2 3.27Å; L1428-V1432 WeakPolarHBondContact O-CG2 3.34Å; L1428-V1432 PolarHBondContact O-N 2.63Å; L1429-V1432 PolarHBondContact O-N 3.5Å; V1432-N1434 PolarHBondContact O-N 3.06Å; V1432-I1435 HydrophobicContact CG2-CD1 4.5Å; V1432-I1435 WeakPolarHBondContact O-CB 3.21Å; V1432-I1435 WeakPolarHBondContact O-CG1 3.49Å; V1432-I1435 PolarHBondContact O-N 3.47Å |
| 1433 | V | 89.1 | Confident | 87.5 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.024 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58 | -39.9 | 178.5 | 171.8 | 0 | 0 | 0 | 0 | 111 | W1400 L1418 L1429 I1435 L1459 C1465 | W1400-V1433 HydrophobicContact CZ2-CG2 4.45Å; L1418-V1433 HydrophobicContact CD2-CG2 3.69Å; L1429-V1433 HydrophobicContact CD1-CG2 3.97Å; L1429-V1433 HydrophobicContact CG-CG2 4.29Å; L1429-V1433 WeakPolarHBondContact O-CB 3.48Å; L1429-V1433 VanDerWaalsContact O-CG2 3.32Å; L1429-V1433 WeakPolarHBondContact O-CG2 3.49Å; L1429-V1433 PolarHBondContact O-N 2.66Å; V1433-I1435 PolarHBondContact O-N 2.87Å; V1433-L1459 HydrophobicContact CG1-CD2 4.24Å; V1433-C1465 HydrophobicContact CG1-CB 3.98Å |
| 1434 | N | 90.9 | Very high | 87.7 | Confident | 11 Ų | 11 | 40.6 Ų | 40.6 | 6% | 0.059 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 10 | -175.7 | -59.2 | -24.2 | 0 | 0 | 0 | 114.4 | K1430 V1432 S1436 Q1464 C1465 E1466 K1469 | K1430-N1434 WeakPolarHBondContact O-CB 3.31Å; K1430-N1434 PolarHBondContact O-N 3.29Å; K1430-N1434 PolarHBondContact O-ND2 2.81Å; V1432-N1434 PolarHBondContact O-N 3.06Å; N1434-S1436 PolarHBondContact O-N 3.12Å; N1434-Q1464 PolarHBondContact ND2-O 3.06Å; N1434-C1465 WeakPolarHBondContact OD1-CA 3.23Å; N1434-E1466 HydrophobicContact CB-CB 4.38Å; N1434-E1466 HydrophobicContact CB-CG 4.35Å; N1434-E1466 VanDerWaalsContact CG-CD 3.49Å; N1434-E1466 VanDerWaalsContact ND2-CG 3.28Å; N1434-E1466 WeakPolarHBondContact ND2-CG 3.49Å; N1434-E1466 PolarHBondContact ND2-OE1 3.36Å; N1434-E1466 PolarHBondContact OD1-N 3.45Å; N1434-K1469 PolarHBondContact O-NZ 2.63Å |
| 1435 | I | 89.1 | Confident | 88 | Confident | 24 Ų | 24 | 37.6 Ų | 37.6 | 12% | 0.123 | 19% | 0.191 | C | C | . | . | trans | -60.4 | 120.6 | 167.4 | -68.4 | 177.8 | 0 | 0 | 0 | 109.1 | V1396 R1397 M1431 V1432 V1433 | V1396-I1435 HydrophobicContact CG1-CD1 4.13Å; R1397-I1435 HydrophobicContact CB-CD1 4.29Å; R1397-I1435 HydrophobicContact CB-CG2 3.58Å; R1397-I1435 HydrophobicContact CG-CG2 3.45Å; R1397-I1435 VanDerWaalsContact CG-CG2 3.45Å; M1431-I1435 WeakPolarHBondContact O-CG1 3.5Å; M1431-I1435 PolarHBondContact O-N 2.75Å; V1432-I1435 HydrophobicContact CG2-CD1 4.5Å; V1432-I1435 WeakPolarHBondContact O-CB 3.21Å; V1432-I1435 WeakPolarHBondContact O-CG1 3.49Å; V1432-I1435 PolarHBondContact O-N 3.47Å; V1433-I1435 PolarHBondContact O-N 2.87Å | ||
| 1436 | S | 89.2 | Confident | 88.2 | Confident | 16 Ų | 16 | 39.3 Ų | 39.3 | 11% | 0.112 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -90.4 | 178.2 | 171.1 | 64.4 | 0 | 0 | 0 | 0 | 112.9 | R1397 N1434 D1440 N1441 | R1397-S1436 WeakPolarHBondContact CD-O 3.16Å; R1397-S1436 PolarHBondContact NE-O 3.45Å; R1397-S1436 PolarHBondContact NH1-O 2.71Å; N1434-S1436 PolarHBondContact O-N 3.12Å; S1436-D1440 PolarHBondContact OG-OD1 3.05Å; S1436-D1440 VanDerWaalsContact OG-OD1 3.09Å; S1436-N1441 CarbonylContact C-O 3.53Å; S1436-N1441 VanDerWaalsContact CA-O 3.25Å; S1436-N1441 WeakPolarHBondContact CA-O 3.27Å |
| 1437 | D | 88.5 | Confident | 88.4 | Confident | 22 Ų | 22 | 35.3 Ų | 35.3 | 12% | 0.118 | 17% | 0.171 | C | C | . | . | trans | -95.6 | -149.2 | 170.7 | 84.2 | -35.5 | 0 | 0 | 0 | 112.5 | R1397 L1401 N1439 D1440 N1441 Y1446 | R1397-D1437 VanDerWaalsContact CZ-C 3.48Å; R1397-D1437 VanDerWaalsContact CZ-O 3.22Å; R1397-D1437 PolarHBondContact NH1-O 2.87Å; R1397-D1437 PolarHBondContact NH2-O 2.68Å; L1401-D1437 HydrophobicContact CD1-CB 4.08Å; D1437-N1439 VanDerWaalsContact OD1-C 3.25Å; D1437-N1439 VanDerWaalsContact OD1-CA 3.32Å; D1437-N1439 WeakPolarHBondContact OD1-CA 3.26Å; D1437-N1439 WeakPolarHBondContact OD1-CB 3.13Å; D1437-N1439 PolarHBondContact OD1-N 3.4Å; D1437-N1439 PolarHBondContact OD2-N 2.81Å; D1437-N1439 PolarHBondContact OD2-ND2 2.72Å; D1437-D1440 PolarHBondContact OD1-N 2.75Å; D1437-D1440 VanDerWaalsContact OD1-N 3.07Å; D1437-N1441 PolarHBondContact N-O 3.18Å; D1437-N1441 WeakPolarHBondContact OD1-CB 3.18Å; D1437-N1441 PolarHBondContact OD1-N 3.2Å; D1437-Y1446 PolarHBondContact OD2-OH 3.05Å | ||
| 1438 | E | 84.2 | Confident | 88.6 | Confident | 153 Ų | 153 | 29.2 Ų | 29.2 | 72% | 0.715 | 14% | 0.143 | S | C | * | . | S | Bend | trans | -89.3 | -7.6 | 174.5 | -65.2 | -179 | -170.4 | 0 | 0 | 113.4 | K1472 | E1438-K1472 PolarHBondContact O-NZ 3.39Š|
| 1439 | N | 82.1 | Confident | 88.7 | Confident | 55 Ų | 55 | 30.8 Ų | 30.8 | 29% | 0.294 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -108.9 | 13.6 | 176.1 | -51.2 | -74.7 | 0 | 0 | 0 | 111.3 | D1437 N1441 N1471 K1472 | D1437-N1439 VanDerWaalsContact OD1-C 3.25Å; D1437-N1439 VanDerWaalsContact OD1-CA 3.32Å; D1437-N1439 WeakPolarHBondContact OD1-CA 3.26Å; D1437-N1439 WeakPolarHBondContact OD1-CB 3.13Å; D1437-N1439 PolarHBondContact OD1-N 3.4Å; D1437-N1439 PolarHBondContact OD2-N 2.81Å; D1437-N1439 PolarHBondContact OD2-ND2 2.72Å; N1439-N1441 PolarHBondContact O-N 3.02Å; N1439-N1471 WeakPolarHBondContact O-CB 3.4Å; N1439-K1472 VanDerWaalsContact C-CB 3.49Å; N1439-K1472 WeakPolarHBondContact O-CB 3.44Å; N1439-K1472 PolarHBondContact O-N 3.22Å |
| 1440 | D | 87.8 | Confident | 88.5 | Confident | 66 Ų | 66 | 33 Ų | 33 | 35% | 0.353 | 17% | 0.165 | S | C | . | . | trans | 57.9 | 16.5 | -174.3 | -67.6 | -62.5 | 0 | 0 | 0 | 116.7 | S1436 D1437 S1442 K1472 | S1436-D1440 PolarHBondContact OG-OD1 3.05Å; S1436-D1440 VanDerWaalsContact OG-OD1 3.09Å; D1437-D1440 PolarHBondContact OD1-N 2.75Å; D1437-D1440 VanDerWaalsContact OD1-N 3.07Å; D1440-S1442 PolarHBondContact O-N 2.92Å; D1440-K1472 HydrophobicContact CB-CB 4.38Å | ||
| 1441 | N | 89.6 | Confident | 88.3 | Confident | 13 Ų | 13 | 30.7 Ų | 30.7 | 7% | 0.07 | 17% | 0.166 | C | C | . | . | trans | -72 | 117.4 | 170.9 | -63.8 | -50.9 | 0 | 0 | 0 | 110.6 | S1436 D1437 N1439 H1445 Y1446 N1471 | S1436-N1441 CarbonylContact C-O 3.53Å; S1436-N1441 VanDerWaalsContact CA-O 3.25Å; S1436-N1441 WeakPolarHBondContact CA-O 3.27Å; D1437-N1441 PolarHBondContact N-O 3.18Å; D1437-N1441 WeakPolarHBondContact OD1-CB 3.18Å; D1437-N1441 PolarHBondContact OD1-N 3.2Å; N1439-N1441 PolarHBondContact O-N 3.02Å; N1441-H1445 HydrophobicContact CB-CB 4.03Å; N1441-Y1446 HydrophobicContact CB-CD2 3.92Å; N1441-Y1446 HydrophobicContact CB-CE2 3.38Å; N1441-Y1446 PolarHBondContact ND2-OH 3.45Å; N1441-N1471 WeakPolarHBondContact OD1-CB 3.34Å; N1441-N1471 PolarHBondContact OD1-ND2 3.1Å | ||
| 1442 | S | 91.4 | Very high | 88.4 | Confident | 4 Ų | 4 | 28.1 Ų | 28.1 | 3% | 0.028 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -75.8 | 171.2 | 166.9 | 69.9 | 0 | 0 | 0 | 0 | 112 | D1440 L1444 H1445 Y1446 | D1440-S1442 PolarHBondContact O-N 2.92Å; S1442-L1444 PolarHBondContact O-N 3.31Å; S1442-H1445 PolarHBondContact N-ND1 3.31Å; S1442-H1445 WeakPolarHBondContact O-CB 3.18Å; S1442-H1445 PolarHBondContact O-N 3.4Å; S1442-H1445 VanDerWaalsContact O-N 3.1Å; S1442-H1445 PolarHBondContact OG-ND1 2.88Å; S1442-Y1446 PolarHBondContact O-N 2.74Å |
| 1443 | A | 91.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -52.8 | -37.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | W1400 L1401 A1404 Y1446 S1447 L1459 | W1400-A1443 HydrophobicContact CZ2-CB 3.89Å; L1401-A1443 HydrophobicContact CD2-CB 4.37Å; A1404-A1443 HydrophobicContact CB-CB 3.93Å; A1443-Y1446 PolarHBondContact O-N 3.18Å; A1443-S1447 PolarHBondContact O-N 2.85Å; A1443-S1447 PolarHBondContact O-OG 2.92Å; A1443-L1459 HydrophobicContact CB-CD1 4.36Å |
| 1444 | L | 92.4 | Very high | 88.5 | Confident | 6 Ų | 6 | 33.9 Ų | 33.9 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.1 | -38.4 | 178.6 | -175.1 | 63.7 | 0 | 0 | 0 | 112.8 | S1442 Y1446 S1447 V1448 V1456 L1459 V1467 P1477 L1498 | S1442-L1444 PolarHBondContact O-N 3.31Å; L1444-Y1446 VanDerWaalsContact C-N 3.29Å; L1444-Y1446 PolarHBondContact O-N 3.12Å; L1444-S1447 WeakPolarHBondContact CA-OG 3.35Å; L1444-S1447 PolarHBondContact O-N 3.06Å; L1444-S1447 PolarHBondContact O-OG 2.88Å; L1444-V1448 HydrophobicContact CD1-CG2 4.17Å; L1444-V1448 HydrophobicContact CG-CG2 4.46Å; L1444-V1448 WeakPolarHBondContact O-CB 3.42Å; L1444-V1448 VanDerWaalsContact O-CG2 3.29Å; L1444-V1448 WeakPolarHBondContact O-CG2 3.44Å; L1444-V1448 PolarHBondContact O-N 2.96Å; L1444-V1456 HydrophobicContact CD1-CG1 4.06Å; L1444-V1456 HydrophobicContact CD1-CG2 4.39Å; L1444-L1459 HydrophobicContact CB-CD1 4.16Å; L1444-L1459 HydrophobicContact CD1-CB 4.2Å; L1444-L1459 HydrophobicContact CD1-CD1 4.08Å; L1444-V1467 HydrophobicContact CD2-CB 4.46Å; L1444-V1467 HydrophobicContact CD2-CG1 3.91Å; L1444-P1477 HydrophobicContact CD2-CB 3.92Å; L1444-P1477 HydrophobicContact CD2-CG 3.91Å; L1444-P1477 HydrophobicContact CG-CB 3.99Å; L1444-P1477 HydrophobicContact CG-CG 4.13Å; L1444-L1498 HydrophobicContact CD2-CD1 4.46Å |
| 1445 | H | 91.2 | Very high | 88.5 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.6 | -43.3 | 175.5 | -70.9 | 75.4 | 0 | 0 | 0 | 111 | N1441 S1442 S1449 K1469 N1471 Y1475 L1480 | N1441-H1445 HydrophobicContact CB-CB 4.03Å; S1442-H1445 PolarHBondContact N-ND1 3.31Å; S1442-H1445 WeakPolarHBondContact O-CB 3.18Å; S1442-H1445 PolarHBondContact O-N 3.4Å; S1442-H1445 VanDerWaalsContact O-N 3.1Å; S1442-H1445 PolarHBondContact OG-ND1 2.88Å; H1445-S1449 WeakPolarHBondContact O-CB 3.49Å; H1445-S1449 PolarHBondContact O-N 3.49Å; H1445-K1469 PolarHBondContact CE1-O 2.72Å; H1445-K1469 PolarHBondContact NE2-O 2.77Å; H1445-N1471 PolarHBondContact NE2-N 3.47Å; H1445-Y1475 PolarHBondContact NE2-O 3.3Å; H1445-L1480 HydrophobicContact CB-CD1 3.89Å |
| 1446 | Y | 89.1 | Confident | 88.7 | Confident | 62 Ų | 62 | 32.2 Ų | 32.2 | 24% | 0.243 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -72.3 | -41 | 179.6 | -77.3 | -73.2 | 0 | 0 | 0 | 113.2 | A1405 D1437 N1441 S1442 A1443 L1444 S1449 H1450 | A1405-Y1446 HydrophobicContact CB-CD1 4.42Å; A1405-Y1446 HydrophobicContact CB-CD2 3.58Å; A1405-Y1446 HydrophobicContact CB-CE2 4.35Å; A1405-Y1446 HydrophobicContact CB-CG 3.62Å; D1437-Y1446 PolarHBondContact OD2-OH 3.05Å; N1441-Y1446 HydrophobicContact CB-CD2 3.92Å; N1441-Y1446 HydrophobicContact CB-CE2 3.38Å; N1441-Y1446 PolarHBondContact ND2-OH 3.45Å; S1442-Y1446 PolarHBondContact O-N 2.74Å; A1443-Y1446 PolarHBondContact O-N 3.18Å; L1444-Y1446 VanDerWaalsContact C-N 3.29Å; L1444-Y1446 PolarHBondContact O-N 3.12Å; Y1446-S1449 PolarHBondContact O-N 3.47Å; Y1446-H1450 VanDerWaalsContact O-CB 3.26Å; Y1446-H1450 WeakPolarHBondContact O-CB 3.17Å; Y1446-H1450 PolarHBondContact O-CD2 2.92Å; Y1446-H1450 VanDerWaalsContact O-CG 3.25Å; Y1446-H1450 PolarHBondContact O-N 3.17Å |
| 1447 | S | 90.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.4 | -41.3 | 178.9 | 61.5 | 0 | 0 | 0 | 0 | 111.6 | A1443 L1444 H1450 G1451 N1452 V1456 | A1443-S1447 PolarHBondContact O-N 2.85Å; A1443-S1447 PolarHBondContact O-OG 2.92Å; L1444-S1447 WeakPolarHBondContact CA-OG 3.35Å; L1444-S1447 PolarHBondContact O-N 3.06Å; L1444-S1447 PolarHBondContact O-OG 2.88Å; S1447-H1450 PolarHBondContact O-N 3.17Å; S1447-G1451 PolarHBondContact O-N 3.04Å; S1447-N1452 PolarHBondContact O-N 3.15Å; S1447-V1456 WeakPolarHBondContact OG-CG2 3Å |
| 1448 | V | 89.6 | Confident | 88.9 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.2 | -52 | 172.9 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | L1444 H1450 G1451 V1456 L1480 A1481 L1498 | L1444-V1448 HydrophobicContact CD1-CG2 4.17Å; L1444-V1448 HydrophobicContact CG-CG2 4.46Å; L1444-V1448 WeakPolarHBondContact O-CB 3.42Å; L1444-V1448 VanDerWaalsContact O-CG2 3.29Å; L1444-V1448 WeakPolarHBondContact O-CG2 3.44Å; L1444-V1448 PolarHBondContact O-N 2.96Å; V1448-H1450 PolarHBondContact O-N 3.12Å; V1448-H1450 VanDerWaalsContact O-N 3.08Å; V1448-G1451 PolarHBondContact O-N 3.39Å; V1448-V1456 HydrophobicContact CG2-CG1 4.35Å; V1448-V1456 HydrophobicContact CG2-CG2 3.64Å; V1448-L1480 HydrophobicContact CG1-CB 3.91Å; V1448-A1481 HydrophobicContact CG1-CB 3.7Å; V1448-A1481 VanDerWaalsContact CG1-N 3.33Å; V1448-L1498 HydrophobicContact CG2-CD2 3.93Å |
| 1449 | S | 86 | Confident | 89.2 | Confident | 43 Ų | 43 | 26.4 Ų | 26.4 | 30% | 0.301 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -61.9 | -19.1 | -179.6 | -180 | 0 | 0 | 0 | 0 | 113.8 | H1445 Y1446 | H1445-S1449 WeakPolarHBondContact O-CB 3.49Å; H1445-S1449 PolarHBondContact O-N 3.49Å; Y1446-S1449 PolarHBondContact O-N 3.47Å |
| 1450 | H | 84.7 | Confident | 89.6 | Confident | 49 Ų | 49 | 23.8 Ų | 23.8 | 23% | 0.227 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -3.1 | 175.1 | -69.9 | -20.5 | 0 | 0 | 0 | 114.7 | R1407 Y1446 S1447 V1448 N1452 | R1407-H1450 HydrophobicContact CB-CB 4.01Å; R1407-H1450 HydrophobicContact CG-CB 4.13Å; R1407-H1450 PolarHBondContact N-CD2 2.82Å; Y1446-H1450 VanDerWaalsContact O-CB 3.26Å; Y1446-H1450 WeakPolarHBondContact O-CB 3.17Å; Y1446-H1450 PolarHBondContact O-CD2 2.92Å; Y1446-H1450 VanDerWaalsContact O-CG 3.25Å; Y1446-H1450 PolarHBondContact O-N 3.17Å; S1447-H1450 PolarHBondContact O-N 3.17Å; V1448-H1450 PolarHBondContact O-N 3.12Å; V1448-H1450 VanDerWaalsContact O-N 3.08Å; H1450-N1452 VanDerWaalsContact C-N 3.28Å; H1450-N1452 PolarHBondContact O-N 2.96Å |
| 1451 | G | 84 | Confident | 89.7 | Confident | 38 Ų | 38 | 24.6 Ų | 24.6 | 39% | 0.392 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 24 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S1447 V1448 F1453 | S1447-G1451 PolarHBondContact O-N 3.04Å; V1448-G1451 PolarHBondContact O-N 3.39Å; G1451-F1453 WeakPolarHBondContact O-CD2 3.48Å; G1451-F1453 PolarHBondContact O-N 3.07Å |
| 1452 | N | 87.6 | Confident | 89.5 | Confident | 19 Ų | 19 | 25.3 Ų | 25.3 | 10% | 0.102 | 15% | 0.145 | C | C | . | . | trans | -89.1 | 76.3 | 178.3 | -171 | -31.8 | 0 | 0 | 0 | 109.4 | A1409 S1447 H1450 D1454 V1455 V1456 | A1409-N1452 PolarHBondContact O-ND2 3.29Å; S1447-N1452 PolarHBondContact O-N 3.15Å; H1450-N1452 VanDerWaalsContact C-N 3.28Å; H1450-N1452 PolarHBondContact O-N 2.96Å; N1452-D1454 VanDerWaalsContact C-N 3.31Å; N1452-D1454 PolarHBondContact O-N 3.23Å; N1452-V1455 PolarHBondContact O-N 3Å; N1452-V1455 WeakPolarHBondContact OD1-CB 3.39Å; N1452-V1455 VanDerWaalsContact OD1-CG2 3.28Å; N1452-V1455 WeakPolarHBondContact OD1-CG2 3.44Å; N1452-V1455 PolarHBondContact OD1-N 3.46Å; N1452-V1456 WeakPolarHBondContact O-CG2 3.34Å; N1452-V1456 PolarHBondContact O-N 2.84Å; N1452-V1456 VanDerWaalsContact O-N 3.11Å | ||
| 1453 | F | 89.7 | Confident | 89 | Confident | 13 Ų | 13 | 33.1 Ų | 33.1 | 6% | 0.057 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70 | -24.4 | -172.5 | -66.4 | -76.2 | 0 | 0 | 0 | 113.7 | G1451 V1456 S1457 L1487 N1491 V1494 M1495 | G1451-F1453 WeakPolarHBondContact O-CD2 3.48Å; G1451-F1453 PolarHBondContact O-N 3.07Å; F1453-V1456 HydrophobicContact CD1-CG2 4.47Å; F1453-V1456 WeakPolarHBondContact O-CB 3.23Å; F1453-V1456 PolarHBondContact O-N 2.98Å; F1453-S1457 PolarHBondContact O-N 3.36Å; F1453-L1487 HydrophobicContact CZ-CD2 4.34Å; F1453-N1491 HydrophobicContact CB-CB 4.43Å; F1453-N1491 HydrophobicContact CD2-CB 3.6Å; F1453-N1491 VanDerWaalsContact CD2-ND2 3.3Å; F1453-N1491 WeakPolarHBondContact CD2-ND2 3.37Å; F1453-N1491 HydrophobicContact CE2-CB 3.9Å; F1453-N1491 HydrophobicContact CG-CB 3.93Å; F1453-V1494 HydrophobicContact CB-CB 4.26Å; F1453-V1494 HydrophobicContact CB-CG1 4.19Å; F1453-V1494 HydrophobicContact CB-CG2 4.41Å; F1453-V1494 HydrophobicContact CD1-CB 4.3Å; F1453-V1494 HydrophobicContact CD1-CG1 4.11Å; F1453-M1495 HydrophobicContact CD1-CG 4.22Å; F1453-M1495 HydrophobicContact CE1-CG 3.51Å; F1453-M1495 HydrophobicContact CE1-SD 3.6Å; F1453-M1495 HydrophobicContact CZ-CG 4.04Å; F1453-M1495 HydrophobicContact CZ-SD 3.9Å |
| 1454 | D | 89.8 | Confident | 88.6 | Confident | 113 Ų | 113 | 35.5 Ų | 35.5 | 60% | 0.604 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -61.3 | -46.3 | 171.9 | -54.9 | -43.4 | 0 | 0 | 0 | 111 | A1411 N1452 V1456 S1457 L1458 | A1411-D1454 HydrophobicContact CB-CB 3.9Å; N1452-D1454 VanDerWaalsContact C-N 3.31Å; N1452-D1454 PolarHBondContact O-N 3.23Å; D1454-V1456 VanDerWaalsContact C-N 3.34Å; D1454-S1457 PolarHBondContact O-N 2.96Å; D1454-L1458 WeakPolarHBondContact O-CG 3.45Å; D1454-L1458 PolarHBondContact O-N 3.49Å |
| 1455 | V | 91.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.6 | -34.3 | 173.9 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | A1404 A1409 A1411 V1414 N1452 L1459 | A1404-V1455 HydrophobicContact CB-CG1 4.49Å; A1409-V1455 HydrophobicContact CB-CG2 4.15Å; A1411-V1455 HydrophobicContact CB-CG2 4.33Å; V1414-V1455 HydrophobicContact CG1-CG1 4.42Å; V1414-V1455 HydrophobicContact CG2-CG2 4.24Å; N1452-V1455 PolarHBondContact O-N 3Å; N1452-V1455 WeakPolarHBondContact OD1-CB 3.39Å; N1452-V1455 VanDerWaalsContact OD1-CG2 3.28Å; N1452-V1455 WeakPolarHBondContact OD1-CG2 3.44Å; N1452-V1455 PolarHBondContact OD1-N 3.46Å; V1455-L1459 HydrophobicContact CG1-CD1 3.99Å; V1455-L1459 HydrophobicContact CG1-CG 4.39Å; V1455-L1459 VanDerWaalsContact O-CG 3.22Å; V1455-L1459 WeakPolarHBondContact O-CG 3.41Å; V1455-L1459 PolarHBondContact O-N 3.06Å; V1455-L1459 VanDerWaalsContact O-N 3.08Å |
| 1456 | V | 91.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -46.6 | 173.1 | 176 | 0 | 0 | 0 | 0 | 111.2 | L1444 S1447 V1448 N1452 F1453 D1454 L1458 L1459 L1460 V1494 | L1444-V1456 HydrophobicContact CD1-CG1 4.06Å; L1444-V1456 HydrophobicContact CD1-CG2 4.39Å; S1447-V1456 WeakPolarHBondContact OG-CG2 3Å; V1448-V1456 HydrophobicContact CG2-CG1 4.35Å; V1448-V1456 HydrophobicContact CG2-CG2 3.64Å; N1452-V1456 WeakPolarHBondContact O-CG2 3.34Å; N1452-V1456 PolarHBondContact O-N 2.84Å; N1452-V1456 VanDerWaalsContact O-N 3.11Å; F1453-V1456 HydrophobicContact CD1-CG2 4.47Å; F1453-V1456 WeakPolarHBondContact O-CB 3.23Å; F1453-V1456 PolarHBondContact O-N 2.98Å; D1454-V1456 VanDerWaalsContact C-N 3.34Å; V1456-L1458 PolarHBondContact O-N 3.18Å; V1456-L1459 PolarHBondContact O-N 3.22Å; V1456-L1460 HydrophobicContact CG1-CD1 3.89Å; V1456-L1460 HydrophobicContact CG1-CG 4.3Å; V1456-L1460 WeakPolarHBondContact O-CG 3.43Å; V1456-L1460 PolarHBondContact O-N 3.44Å; V1456-V1494 HydrophobicContact CB-CG1 3.95Å; V1456-V1494 HydrophobicContact CG1-CG1 3.67Å |
| 1457 | S | 92.5 | Very high | 88.4 | Confident | 31 Ų | 31 | 37 Ų | 37 | 22% | 0.217 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.9 | -51.9 | 177.5 | -169.3 | 0 | 0 | 0 | 0 | 110.7 | F1453 D1454 L1459 L1460 D1461 R1497 | F1453-S1457 PolarHBondContact O-N 3.36Å; D1454-S1457 PolarHBondContact O-N 2.96Å; S1457-L1459 PolarHBondContact O-N 3Å; S1457-L1459 VanDerWaalsContact O-N 3.15Å; S1457-L1460 CarbonylContact O-C 3.4Å; S1457-L1460 WeakPolarHBondContact O-CA 3.29Å; S1457-L1460 PolarHBondContact O-N 3.1Å; S1457-D1461 WeakPolarHBondContact O-CB 3.48Å; S1457-D1461 VanDerWaalsContact O-CG 3.24Å; S1457-D1461 PolarHBondContact O-N 3.33Å; S1457-D1461 PolarHBondContact OG-OD2 2.68Å; S1457-R1497 PolarHBondContact OG-NH1 3.37Å |
| 1458 | L | 90.2 | Very high | 88.4 | Confident | 37 Ų | 37 | 40 Ų | 40 | 19% | 0.194 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.6 | -33.2 | 179 | -70.3 | 172.7 | 0 | 0 | 0 | 113.6 | A1411 E1415 L1418 D1454 V1456 C1462 | A1411-L1458 HydrophobicContact CB-CD1 3.8Å; A1411-L1458 WeakPolarHBondContact O-CD1 3.48Å; E1415-L1458 HydrophobicContact CB-CD1 4Å; E1415-L1458 HydrophobicContact CB-CD2 4.12Å; E1415-L1458 HydrophobicContact CG-CD2 4.05Å; L1418-L1458 HydrophobicContact CD1-CB 4.37Å; D1454-L1458 WeakPolarHBondContact O-CG 3.45Å; D1454-L1458 PolarHBondContact O-N 3.49Å; V1456-L1458 PolarHBondContact O-N 3.18Å; L1458-C1462 PolarHBondContact O-N 2.98Å; L1458-C1462 PolarHBondContact O-SG 3.48Å |
| 1459 | L | 91.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -74.1 | -37.1 | 175.3 | -69.3 | 172.1 | 0 | 0 | 0 | 112.4 | W1400 V1433 A1443 L1444 V1455 V1456 S1457 C1465 | W1400-L1459 HydrophobicContact CH2-CD2 3.77Å; W1400-L1459 HydrophobicContact CZ2-CD2 3.63Å; V1433-L1459 HydrophobicContact CG1-CD2 4.24Å; A1443-L1459 HydrophobicContact CB-CD1 4.36Å; L1444-L1459 HydrophobicContact CB-CD1 4.16Å; L1444-L1459 HydrophobicContact CD1-CB 4.2Å; L1444-L1459 HydrophobicContact CD1-CD1 4.08Å; V1455-L1459 HydrophobicContact CG1-CD1 3.99Å; V1455-L1459 HydrophobicContact CG1-CG 4.39Å; V1455-L1459 VanDerWaalsContact O-CG 3.22Å; V1455-L1459 WeakPolarHBondContact O-CG 3.41Å; V1455-L1459 PolarHBondContact O-N 3.06Å; V1455-L1459 VanDerWaalsContact O-N 3.08Å; V1456-L1459 PolarHBondContact O-N 3.22Å; S1457-L1459 PolarHBondContact O-N 3Å; S1457-L1459 VanDerWaalsContact O-N 3.15Å; L1459-C1465 PolarHBondContact O-SG 3.34Å; L1459-C1465 VanDerWaalsContact O-SG 3.38Å |
| 1460 | L | 90.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -73.3 | -30.8 | 174.5 | -64.5 | 175.1 | 0 | 0 | 0 | 112.5 | V1456 S1457 C1462 K1463 V1467 R1497 L1498 M1501 | V1456-L1460 HydrophobicContact CG1-CD1 3.89Å; V1456-L1460 HydrophobicContact CG1-CG 4.3Å; V1456-L1460 WeakPolarHBondContact O-CG 3.43Å; V1456-L1460 PolarHBondContact O-N 3.44Å; S1457-L1460 CarbonylContact O-C 3.4Å; S1457-L1460 WeakPolarHBondContact O-CA 3.29Å; S1457-L1460 PolarHBondContact O-N 3.1Å; L1460-C1462 VanDerWaalsContact C-N 3.29Å; L1460-C1462 PolarHBondContact O-N 3.35Å; L1460-K1463 PolarHBondContact O-N 3.26Å; L1460-V1467 HydrophobicContact CD2-CG1 3.83Å; L1460-R1497 HydrophobicContact CD1-CG 4.24Å; L1460-R1497 PolarHBondContact O-NH2 2.82Å; L1460-L1498 HydrophobicContact CD1-CB 4.12Å; L1460-L1498 HydrophobicContact CD1-CD1 4.4Å; L1460-L1498 HydrophobicContact CD2-CD1 3.95Å; L1460-M1501 HydrophobicContact CB-CE 4.29Å; L1460-M1501 HydrophobicContact CB-SD 4.01Å; L1460-M1501 HydrophobicContact CD2-CE 3.89Å; L1460-M1501 HydrophobicContact CD2-SD 3.91Å; L1460-M1501 HydrophobicContact CG-SD 4.37Å |
| 1461 | D | 89.5 | Confident | 88.2 | Confident | 83 Ų | 83 | 41.2 Ų | 41.2 | 44% | 0.444 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.1 | -32.4 | 175.7 | -72.7 | -45.1 | 0 | 0 | 0 | 112 | S1457 K1463 R1497 | S1457-D1461 WeakPolarHBondContact O-CB 3.48Å; S1457-D1461 VanDerWaalsContact O-CG 3.24Å; S1457-D1461 PolarHBondContact O-N 3.33Å; S1457-D1461 PolarHBondContact OG-OD2 2.68Å; D1461-K1463 PolarHBondContact O-N 3.03Å; D1461-R1497 IonicContact OD1-CZ 3.56Å; D1461-R1497 IonicContact OD1-NH1 2.74Å; D1461-R1497 PolarHBondContact OD1-NH1 3.31Å; D1461-R1497 IonicContact OD1-NH2 3.07Å; D1461-R1497 PolarHBondContact OD1-NH2 2.9Å; D1461-R1497 IonicContact OD2-NH1 2.8Å |
| 1462 | C | 85.5 | Confident | 88.1 | Confident | 28 Ų | 28 | 45.1 Ų | 45.1 | 19% | 0.189 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -23 | 173.2 | -70.7 | 0 | 0 | 0 | 0 | 114.4 | L1458 L1460 Q1464 | L1458-C1462 PolarHBondContact O-N 2.98Å; L1458-C1462 PolarHBondContact O-SG 3.48Å; L1460-C1462 VanDerWaalsContact C-N 3.29Å; L1460-C1462 PolarHBondContact O-N 3.35Å; C1462-Q1464 PolarHBondContact O-N 3.02Å |
| 1463 | K | 81.6 | Confident | 87.5 | Confident | 168 Ų | 168 | 44.6 Ų | 44.6 | 73% | 0.73 | 23% | 0.226 | S | C | * | . | S | Bend | trans | 54.4 | -5.3 | -173.4 | -60.3 | -177 | -179 | -178 | 0 | 117.4 | L1460 D1461 | L1460-K1463 PolarHBondContact O-N 3.26Å; D1461-K1463 PolarHBondContact O-N 3.03Å |
| 1464 | Q | 83.6 | Confident | 87.2 | Confident | 51 Ų | 51 | 44 Ų | 44 | 24% | 0.238 | 22% | 0.224 | C | C | . | . | trans | -86.3 | -4.8 | 176.8 | -58.7 | -58.9 | -15.5 | 0 | 0 | 113.9 | L1429 K1430 N1434 C1462 | L1429-Q1464 HydrophobicContact CD2-CG 4.05Å; L1429-Q1464 HydrophobicContact CG-CG 4.26Å; K1430-Q1464 HydrophobicContact CB-CB 4.01Å; K1430-Q1464 HydrophobicContact CB-CG 4.26Å; K1430-Q1464 HydrophobicContact CG-CB 4.32Å; N1434-Q1464 PolarHBondContact ND2-O 3.06Å; C1462-Q1464 PolarHBondContact O-N 3.02Å | ||
| 1465 | C | 87.3 | Confident | 87.1 | Confident | 15 Ų | 15 | 39.7 Ų | 39.7 | 10% | 0.101 | 20% | 0.199 | C | C | . | . | trans | -72.5 | 129.2 | -173.6 | 54.1 | 0 | 0 | 0 | 0 | 113.4 | V1433 N1434 L1459 V1467 | V1433-C1465 HydrophobicContact CG1-CB 3.98Å; N1434-C1465 WeakPolarHBondContact OD1-CA 3.23Å; L1459-C1465 PolarHBondContact O-SG 3.34Å; L1459-C1465 VanDerWaalsContact O-SG 3.38Å; C1465-V1467 VanDerWaalsContact C-N 3.35Å; C1465-V1467 HydrophobicContact CB-CG1 4.44Å; C1465-V1467 PolarHBondContact O-N 3.26Å | ||
| 1466 | E | 89.9 | Confident | 87 | Confident | 72 Ų | 72 | 39.7 Ų | 39.7 | 34% | 0.336 | 20% | 0.199 | S | C | . | . | trans | -76.1 | 80.7 | 172 | -83.5 | 155.2 | -145.9 | 0 | 0 | 110.5 | N1434 D1468 K1469 | N1434-E1466 HydrophobicContact CB-CB 4.38Å; N1434-E1466 HydrophobicContact CB-CG 4.35Å; N1434-E1466 VanDerWaalsContact CG-CD 3.49Å; N1434-E1466 VanDerWaalsContact ND2-CG 3.28Å; N1434-E1466 WeakPolarHBondContact ND2-CG 3.49Å; N1434-E1466 PolarHBondContact ND2-OE1 3.36Å; N1434-E1466 PolarHBondContact OD1-N 3.45Å; E1466-D1468 PolarHBondContact O-N 3.13Å; E1466-K1469 HydrophobicContact CB-CB 4.05Å; E1466-K1469 HydrophobicContact CB-CD 4.06Å; E1466-K1469 WeakPolarHBondContact OE2-CD 3.41Å; E1466-K1469 WeakPolarHBondContact OE2-CE 3.43Å; E1466-K1469 IonicContact OE2-NZ 3.98Å; E1466-K1469 PolarHBondContact OE2-NZ 2.89Å | ||
| 1467 | V | 90.4 | Very high | 87 | Confident | 15 Ų | 15 | 39.7 Ų | 39.7 | 9% | 0.091 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -25.9 | -176.9 | -63 | 0 | 0 | 0 | 0 | 114.7 | L1444 L1460 C1465 P1477 L1498 M1501 A1502 | L1444-V1467 HydrophobicContact CD2-CB 4.46Å; L1444-V1467 HydrophobicContact CD2-CG1 3.91Å; L1460-V1467 HydrophobicContact CD2-CG1 3.83Å; C1465-V1467 VanDerWaalsContact C-N 3.35Å; C1465-V1467 HydrophobicContact CB-CG1 4.44Å; C1465-V1467 PolarHBondContact O-N 3.26Å; V1467-P1477 VanDerWaalsContact O-CD 3.26Å; V1467-P1477 WeakPolarHBondContact O-CD 3.45Å; V1467-L1498 HydrophobicContact CG1-CD1 4.43Å; V1467-M1501 WeakPolarHBondContact CG2-O 3.18Å; V1467-A1502 HydrophobicContact CB-CB 4.09Å; V1467-A1502 HydrophobicContact CG2-CB 3.96Å |
| 1468 | D | 90.3 | Very high | 86.9 | Confident | 63 Ų | 63 | 38.2 Ų | 38.2 | 34% | 0.337 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -3.9 | -175.9 | -77.7 | -4 | 0 | 0 | 0 | 114 | E1466 P1470 T1476 A1502 N1503 I1506 | E1466-D1468 PolarHBondContact O-N 3.13Å; D1468-P1470 VanDerWaalsContact O-CD 3.27Å; D1468-P1470 WeakPolarHBondContact O-CD 3.19Å; D1468-T1476 WeakPolarHBondContact O-CG2 3.38Å; D1468-A1502 VanDerWaalsContact OD1-CA 3.32Å; D1468-A1502 WeakPolarHBondContact OD1-CA 3.33Å; D1468-N1503 PolarHBondContact OD1-N 2.91Å; D1468-N1503 WeakPolarHBondContact OD2-CB 3.38Å; D1468-I1506 HydrophobicContact CB-CD1 3.63Å |
| 1469 | K | 85.6 | Confident | 86.9 | Confident | 66 Ų | 66 | 36.5 Ų | 36.5 | 29% | 0.287 | 18% | 0.18 | S | C | . | . | trans | -76.1 | 116.1 | -173.5 | -179.1 | 170.8 | -177.7 | 178.2 | 0 | 109.9 | N1434 H1445 E1466 | N1434-K1469 PolarHBondContact O-NZ 2.63Å; H1445-K1469 PolarHBondContact CE1-O 2.72Å; H1445-K1469 PolarHBondContact NE2-O 2.77Å; E1466-K1469 HydrophobicContact CB-CB 4.05Å; E1466-K1469 HydrophobicContact CB-CD 4.06Å; E1466-K1469 WeakPolarHBondContact OE2-CD 3.41Å; E1466-K1469 WeakPolarHBondContact OE2-CE 3.43Å; E1466-K1469 IonicContact OE2-NZ 3.98Å; E1466-K1469 PolarHBondContact OE2-NZ 2.89Å | ||
| 1470 | P | 86.8 | Confident | 86.8 | Confident | 41 Ų | 41 | 37 Ų | 37 | 27% | 0.266 | 18% | 0.183 | S | C | . | . | trans | -74.1 | 148.4 | 175.7 | 31.6 | -34.6 | 0 | 0 | 0 | 110.7 | D1468 G1474 Y1475 T1476 | D1468-P1470 VanDerWaalsContact O-CD 3.27Å; D1468-P1470 WeakPolarHBondContact O-CD 3.19Å; P1470-G1474 WeakPolarHBondContact CB-O 3.18Å; P1470-Y1475 CarbonylContact C-O 3.51Å; P1470-Y1475 VanDerWaalsContact CA-O 3.32Å; P1470-Y1475 WeakPolarHBondContact CA-O 3.36Å; P1470-T1476 HydrophobicContact CB-CG2 4.21Å | ||
| 1471 | N | 84.5 | Confident | 86.8 | Confident | 11 Ų | 11 | 37 Ų | 37 | 6% | 0.059 | 18% | 0.183 | C | C | . | . | trans | -74.3 | -178.6 | 166.4 | 74 | 11.6 | 0 | 0 | 0 | 111.7 | N1439 N1441 H1445 A1473 G1474 Y1475 | N1439-N1471 WeakPolarHBondContact O-CB 3.4Å; N1441-N1471 WeakPolarHBondContact OD1-CB 3.34Å; N1441-N1471 PolarHBondContact OD1-ND2 3.1Å; H1445-N1471 PolarHBondContact NE2-N 3.47Å; N1471-A1473 PolarHBondContact O-N 3.32Å; N1471-A1473 VanDerWaalsContact O-N 3.08Å; N1471-A1473 WeakPolarHBondContact OD1-CA 3.4Å; N1471-A1473 PolarHBondContact OD1-N 2.68Å; N1471-G1474 PolarHBondContact O-N 3.45Å; N1471-G1474 PolarHBondContact OD1-N 3.36Å; N1471-Y1475 PolarHBondContact N-O 2.79Å; N1471-Y1475 PolarHBondContact OD1-N 3.35Å; N1471-Y1475 VanDerWaalsContact OD1-N 3.16Å | ||
| 1472 | K | 81.2 | Confident | 86.8 | Confident | 121 Ų | 121 | 33 Ų | 33 | 53% | 0.526 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | 1.9 | -177.9 | -167.6 | 169.4 | 179.3 | 172.9 | 0 | 115.1 | E1438 N1439 D1440 T1511 | E1438-K1472 PolarHBondContact O-NZ 3.39Å; N1439-K1472 VanDerWaalsContact C-CB 3.49Å; N1439-K1472 WeakPolarHBondContact O-CB 3.44Å; N1439-K1472 PolarHBondContact O-N 3.22Å; D1440-K1472 HydrophobicContact CB-CB 4.38Å; K1472-T1511 PolarHBondContact O-OG1 3.23Å |
| 1473 | A | 75.8 | Confident | 86.9 | Confident | 7 Ų | 7 | 32.1 Ų | 32.1 | 6% | 0.058 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 15.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N1471 Y1475 M1514 L1517 | N1471-A1473 PolarHBondContact O-N 3.32Å; N1471-A1473 VanDerWaalsContact O-N 3.08Å; N1471-A1473 WeakPolarHBondContact OD1-CA 3.4Å; N1471-A1473 PolarHBondContact OD1-N 2.68Å; A1473-Y1475 VanDerWaalsContact C-N 3.31Å; A1473-Y1475 HydrophobicContact CB-CD2 4.08Å; A1473-Y1475 HydrophobicContact CB-CE2 4.48Å; A1473-Y1475 WeakPolarHBondContact O-CD2 3.23Å; A1473-Y1475 PolarHBondContact O-N 2.97Å; A1473-M1514 HydrophobicContact CB-SD 3.97Å; A1473-M1514 WeakPolarHBondContact O-CE 3.46Å; A1473-L1517 HydrophobicContact CB-CD1 3.75Å |
| 1474 | G | 83.2 | Confident | 86.9 | Confident | 2 Ų | 2 | 25.4 Ų | 25.4 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 82.8 | -5.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | P1470 N1471 | P1470-G1474 WeakPolarHBondContact CB-O 3.18Å; N1471-G1474 PolarHBondContact O-N 3.45Å; N1471-G1474 PolarHBondContact OD1-N 3.36Å |
| 1475 | Y | 88 | Confident | 86.2 | Confident | 21 Ų | 21 | 25.3 Ų | 25.3 | 8% | 0.082 | 14% | 0.137 | C | C | . | . | trans | -81.8 | 128.9 | -178 | -72.1 | -87.1 | 0 | 0 | 0 | 112.1 | H1445 P1470 N1471 A1473 M1479 L1480 L1483 L1531 L1540 | H1445-Y1475 PolarHBondContact NE2-O 3.3Å; P1470-Y1475 CarbonylContact C-O 3.51Å; P1470-Y1475 VanDerWaalsContact CA-O 3.32Å; P1470-Y1475 WeakPolarHBondContact CA-O 3.36Å; N1471-Y1475 PolarHBondContact N-O 2.79Å; N1471-Y1475 PolarHBondContact OD1-N 3.35Å; N1471-Y1475 VanDerWaalsContact OD1-N 3.16Å; A1473-Y1475 VanDerWaalsContact C-N 3.31Å; A1473-Y1475 HydrophobicContact CB-CD2 4.08Å; A1473-Y1475 HydrophobicContact CB-CE2 4.48Å; A1473-Y1475 WeakPolarHBondContact O-CD2 3.23Å; A1473-Y1475 PolarHBondContact O-N 2.97Å; Y1475-M1479 HydrophobicContact CD1-CB 3.97Å; Y1475-L1480 HydrophobicContact CD1-CD2 4.37Å; Y1475-L1480 HydrophobicContact CG-CD2 4.33Å; Y1475-L1483 HydrophobicContact CE1-CD1 3.96Å; Y1475-L1531 HydrophobicContact CE2-CD2 4.41Å; Y1475-L1531 VanDerWaalsContact OH-CD2 3.24Å; Y1475-L1531 WeakPolarHBondContact OH-CD2 3.32Å; Y1475-L1540 HydrophobicContact CD1-CD1 4.2Å; Y1475-L1540 HydrophobicContact CE1-CD1 3.77Å; Y1475-L1540 HydrophobicContact CE1-CD2 4.33Å | ||
| 1476 | T | 89.3 | Confident | 85.2 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | trans | -84.7 | 162.6 | 165.4 | 71.4 | 0 | 0 | 0 | 0 | 111.2 | D1468 P1470 A1478 M1479 L1480 I1506 | D1468-T1476 WeakPolarHBondContact O-CG2 3.38Å; P1470-T1476 HydrophobicContact CB-CG2 4.21Å; T1476-A1478 PolarHBondContact O-N 3.21Å; T1476-A1478 PolarHBondContact OG1-N 2.86Å; T1476-M1479 HydrophobicContact CG2-SD 4.05Å; T1476-M1479 PolarHBondContact N-SD 2.85Å; T1476-M1479 VanDerWaalsContact N-SD 3.39Å; T1476-M1479 WeakPolarHBondContact O-CB 3.27Å; T1476-M1479 PolarHBondContact O-N 3.15Å; T1476-M1479 WeakPolarHBondContact OG1-CG 3.45Å; T1476-M1479 PolarHBondContact OG1-N 3.12Å; T1476-L1480 PolarHBondContact O-N 3.28Å; T1476-L1480 VanDerWaalsContact O-N 3.12Å; T1476-I1506 HydrophobicContact CG2-CB 4.28Å; T1476-I1506 HydrophobicContact CG2-CD1 4.19Å; T1476-I1506 HydrophobicContact CG2-CG2 3.75Å | ||
| 1477 | P | 90.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -49.9 | -39.1 | 168.9 | -30.1 | 35.5 | 0 | 0 | 0 | 114.5 | L1444 V1467 M1479 L1480 A1481 | L1444-P1477 HydrophobicContact CD2-CB 3.92Å; L1444-P1477 HydrophobicContact CD2-CG 3.91Å; L1444-P1477 HydrophobicContact CG-CB 3.99Å; L1444-P1477 HydrophobicContact CG-CG 4.13Å; V1467-P1477 VanDerWaalsContact O-CD 3.26Å; V1467-P1477 WeakPolarHBondContact O-CD 3.45Å; P1477-M1479 VanDerWaalsContact C-N 3.34Å; P1477-M1479 PolarHBondContact O-N 2.9Å; P1477-L1480 PolarHBondContact O-N 3.06Å; P1477-A1481 WeakPolarHBondContact O-CB 3.21Å; P1477-A1481 PolarHBondContact O-N 3.16Å |
| 1478 | A | 90 | Very high | 84 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.4 | -36.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1476 A1481 A1482 F1499 A1502 | T1476-A1478 PolarHBondContact O-N 3.21Å; T1476-A1478 PolarHBondContact OG1-N 2.86Å; A1478-A1481 WeakPolarHBondContact O-CB 3.48Å; A1478-A1481 PolarHBondContact O-N 2.76Å; A1478-A1482 WeakPolarHBondContact O-CB 3.32Å; A1478-A1482 PolarHBondContact O-N 3.06Å; A1478-F1499 HydrophobicContact CB-CD1 4.15Å; A1478-F1499 HydrophobicContact CB-CE1 4.19Å; A1478-F1499 WeakPolarHBondContact O-CE1 3.33Å; A1478-A1502 HydrophobicContact CB-CB 4.02Å |
| 1479 | M | 91.1 | Very high | 83.5 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.9 | -34.4 | 177.2 | -60.2 | 164.4 | 106.4 | 0 | 0 | 111.8 | Y1475 T1476 P1477 A1481 L1483 T1508 Q1535 A1537 L1540 | Y1475-M1479 HydrophobicContact CD1-CB 3.97Å; T1476-M1479 HydrophobicContact CG2-SD 4.05Å; T1476-M1479 PolarHBondContact N-SD 2.85Å; T1476-M1479 VanDerWaalsContact N-SD 3.39Å; T1476-M1479 WeakPolarHBondContact O-CB 3.27Å; T1476-M1479 PolarHBondContact O-N 3.15Å; T1476-M1479 WeakPolarHBondContact OG1-CG 3.45Å; T1476-M1479 PolarHBondContact OG1-N 3.12Å; P1477-M1479 VanDerWaalsContact C-N 3.34Å; P1477-M1479 PolarHBondContact O-N 2.9Å; M1479-A1481 VanDerWaalsContact C-N 3.34Å; M1479-L1483 WeakPolarHBondContact O-CG 3.39Å; M1479-L1483 PolarHBondContact O-N 3.17Å; M1479-T1508 HydrophobicContact CE-CG2 3.37Å; M1479-T1508 HydrophobicContact SD-CG2 4.26Å; M1479-Q1535 WeakPolarHBondContact CE-O 3.4Å; M1479-A1537 HydrophobicContact CG-CB 4.01Å; M1479-L1540 HydrophobicContact CB-CD1 3.89Å; M1479-L1540 HydrophobicContact CE-CD1 3.99Å; M1479-L1540 HydrophobicContact CG-CD1 4.28Å |
| 1480 | L | 88.5 | Confident | 83.3 | Confident | 11 Ų | 11 | 37.2 Ų | 37.2 | 6% | 0.058 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.7 | -34.9 | 171.7 | -62.1 | 176.3 | 0 | 0 | 0 | 111.9 | H1445 V1448 Y1475 T1476 P1477 W1521 | H1445-L1480 HydrophobicContact CB-CD1 3.89Å; V1448-L1480 HydrophobicContact CG1-CB 3.91Å; Y1475-L1480 HydrophobicContact CD1-CD2 4.37Å; Y1475-L1480 HydrophobicContact CG-CD2 4.33Å; T1476-L1480 PolarHBondContact O-N 3.28Å; T1476-L1480 VanDerWaalsContact O-N 3.12Å; P1477-L1480 PolarHBondContact O-N 3.06Å; L1480-W1521 HydrophobicContact CD2-CZ2 3.82Å |
| 1481 | A | 90 | Very high | 83.3 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.9 | -45.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1448 P1477 A1478 M1479 L1483 S1484 M1495 L1498 F1499 | V1448-A1481 HydrophobicContact CG1-CB 3.7Å; V1448-A1481 VanDerWaalsContact CG1-N 3.33Å; P1477-A1481 WeakPolarHBondContact O-CB 3.21Å; P1477-A1481 PolarHBondContact O-N 3.16Å; A1478-A1481 WeakPolarHBondContact O-CB 3.48Å; A1478-A1481 PolarHBondContact O-N 2.76Å; M1479-A1481 VanDerWaalsContact C-N 3.34Å; A1481-L1483 PolarHBondContact O-N 3.45Å; A1481-S1484 VanDerWaalsContact O-CB 3.28Å; A1481-S1484 WeakPolarHBondContact O-CB 3.33Å; A1481-S1484 PolarHBondContact O-N 3.45Å; A1481-S1484 PolarHBondContact O-OG 3.42Å; A1481-M1495 HydrophobicContact CB-CE 4.33Å; A1481-M1495 HydrophobicContact CB-SD 3.61Å; A1481-M1495 WeakPolarHBondContact O-CE 3.28Å; A1481-L1498 HydrophobicContact CB-CD2 3.64Å; A1481-F1499 HydrophobicContact CB-CE1 4Å; A1481-F1499 HydrophobicContact CB-CZ 4.01Å |
| 1482 | A | 89.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.5 | -29.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A1478 A1537 A1541 L1553 | A1478-A1482 WeakPolarHBondContact O-CB 3.32Å; A1478-A1482 PolarHBondContact O-N 3.06Å; A1482-A1537 HydrophobicContact CB-CB 4.25Å; A1482-A1537 WeakPolarHBondContact CB-O 3.4Å; A1482-A1541 HydrophobicContact CB-CB 4.34Å; A1482-L1553 HydrophobicContact CB-CD1 4.05Å |
| 1483 | L | 87.6 | Confident | 83.9 | Confident | 9 Ų | 9 | 38.6 Ų | 38.6 | 5% | 0.047 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -6.6 | 177.9 | -70.6 | 171.3 | 0 | 0 | 0 | 114.6 | Y1475 M1479 A1481 W1521 L1540 H1544 | Y1475-L1483 HydrophobicContact CE1-CD1 3.96Å; M1479-L1483 WeakPolarHBondContact O-CG 3.39Å; M1479-L1483 PolarHBondContact O-N 3.17Å; A1481-L1483 PolarHBondContact O-N 3.45Å; L1483-W1521 HydrophobicContact CB-CH2 3.71Å; L1483-W1521 HydrophobicContact CB-CZ3 3.93Å; L1483-W1521 HydrophobicContact CD1-CH2 3.52Å; L1483-W1521 HydrophobicContact CD1-CZ2 3.99Å; L1483-W1521 HydrophobicContact CD1-CZ3 3.93Å; L1483-W1521 HydrophobicContact CG-CH2 4.24Å; L1483-W1521 HydrophobicContact CG-CZ3 4.45Å; L1483-L1540 HydrophobicContact CD1-CD1 4.37Å; L1483-L1540 HydrophobicContact CD1-CD2 4.43Å; L1483-L1540 HydrophobicContact CD2-CB 3.95Å; L1483-L1540 HydrophobicContact CD2-CD2 4.44Å; L1483-L1540 HydrophobicContact CG-CB 4.19Å; L1483-H1544 HydrophobicContact CD2-CB 4.18Å; L1483-H1544 WeakPolarHBondContact CD2-CD2 3.45Å |
| 1484 | S | 82.2 | Confident | 84.6 | Confident | 26 Ų | 26 | 39.3 Ų | 39.3 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | trans | -64.3 | 167.6 | -178.1 | 68.7 | 0 | 0 | 0 | 0 | 112.9 | A1481 M1495 K1546 | A1481-S1484 VanDerWaalsContact O-CB 3.28Å; A1481-S1484 WeakPolarHBondContact O-CB 3.33Å; A1481-S1484 PolarHBondContact O-N 3.45Å; A1481-S1484 PolarHBondContact O-OG 3.42Å; S1484-M1495 WeakPolarHBondContact OG-CE 3.32Å; S1484-K1546 WeakPolarHBondContact O-CD 3.38Å; S1484-K1546 VanDerWaalsContact O-CE 3.29Å; S1484-K1546 WeakPolarHBondContact O-CE 3.45Å; S1484-K1546 PolarHBondContact O-NZ 3.3Å | ||
| 1485 | A | 68.1 | Low | 85 | Confident | 50 Ų | 50 | 39.3 Ų | 39.3 | 41% | 0.413 | 22% | 0.222 | S | C | . | . | trans | -123 | 153.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1486 | D | 67.3 | Low | 85.1 | Confident | 156 Ų | 156 | 41.3 Ų | 41.3 | 83% | 0.834 | 23% | 0.232 | S | C | * | . | trans | 52.7 | 70.7 | 164.5 | -47.5 | -23 | 0 | 0 | 0 | 114 | T1488 | D1486-T1488 PolarHBondContact O-N 3.35Š| ||
| 1487 | L | 74.3 | Confident | 85.2 | Confident | 28 Ų | 28 | 44.2 Ų | 44.2 | 15% | 0.147 | 24% | 0.243 | C | C | . | . | trans | -75 | 117.3 | 177.7 | -71.1 | 164.2 | 0 | 0 | 0 | 111.5 | F1453 N1491 M1495 D1548 M1552 | F1453-L1487 HydrophobicContact CZ-CD2 4.34Å; L1487-N1491 HydrophobicContact CD2-CB 4.11Å; L1487-M1495 HydrophobicContact CD1-CE 3.84Å; L1487-M1495 HydrophobicContact CD2-CE 3.79Å; L1487-M1495 HydrophobicContact CD2-CG 3.64Å; L1487-M1495 HydrophobicContact CD2-SD 4.1Å; L1487-M1495 HydrophobicContact CG-CE 4.32Å; L1487-D1548 HydrophobicContact CD1-CB 3.91Å; L1487-M1552 HydrophobicContact CD1-CE 3.56Å | ||
| 1488 | T | 81.5 | Confident | 85.4 | Confident | 72 Ų | 72 | 44.2 Ų | 44.2 | 44% | 0.442 | 24% | 0.244 | S | C | . | . | trans | -69.6 | 156.5 | 157.4 | 63.5 | 0 | 0 | 0 | 0 | 109.7 | D1486 T1490 N1491 R1492 | D1486-T1488 PolarHBondContact O-N 3.35Å; T1488-T1490 PolarHBondContact O-N 2.96Å; T1488-T1490 PolarHBondContact OG1-OG1 3.17Å; T1488-N1491 PolarHBondContact O-N 3.4Å; T1488-N1491 WeakPolarHBondContact OG1-CB 3.33Å; T1488-N1491 PolarHBondContact OG1-N 3.14Å; T1488-N1491 PolarHBondContact OG1-ND2 3.03Å; T1488-N1491 VanDerWaalsContact OG1-ND2 3.16Å; T1488-N1491 PolarHBondContact OG1-OD1 2.94Å; T1488-R1492 PolarHBondContact O-N 3.09Å | ||
| 1489 | D | 79.1 | Confident | 85.5 | Confident | 126 Ų | 126 | 44.4 Ų | 44.4 | 67% | 0.674 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -60.7 | -32 | -178.9 | -56.7 | -55 | 0 | 0 | 0 | 112.8 | R1492 V1493 | D1489-R1492 WeakPolarHBondContact O-CB 3.16Å; D1489-R1492 PolarHBondContact O-N 3.14Å; D1489-V1493 PolarHBondContact O-N 2.98Å |
| 1490 | T | 81.2 | Confident | 85.6 | Confident | 99 Ų | 99 | 50.4 Ų | 50.4 | 61% | 0.607 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.7 | -43.5 | 171.3 | 56.4 | 0 | 0 | 0 | 0 | 112.2 | T1488 V1493 V1494 | T1488-T1490 PolarHBondContact O-N 2.96Å; T1488-T1490 PolarHBondContact OG1-OG1 3.17Å; T1490-V1493 PolarHBondContact O-N 3.41Å; T1490-V1494 PolarHBondContact O-N 3.25Å |
| 1491 | N | 86.7 | Confident | 85.7 | Confident | 35 Ų | 35 | 53.3 Ų | 53.3 | 19% | 0.187 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -75.3 | -31.3 | -177 | -62.6 | -3.9 | 0 | 0 | 0 | 110.9 | F1453 L1487 T1488 V1493 V1494 M1495 | F1453-N1491 HydrophobicContact CB-CB 4.43Å; F1453-N1491 HydrophobicContact CD2-CB 3.6Å; F1453-N1491 VanDerWaalsContact CD2-ND2 3.3Å; F1453-N1491 WeakPolarHBondContact CD2-ND2 3.37Å; F1453-N1491 HydrophobicContact CE2-CB 3.9Å; F1453-N1491 HydrophobicContact CG-CB 3.93Å; L1487-N1491 HydrophobicContact CD2-CB 4.11Å; T1488-N1491 PolarHBondContact O-N 3.4Å; T1488-N1491 WeakPolarHBondContact OG1-CB 3.33Å; T1488-N1491 PolarHBondContact OG1-N 3.14Å; T1488-N1491 PolarHBondContact OG1-ND2 3.03Å; T1488-N1491 VanDerWaalsContact OG1-ND2 3.16Å; T1488-N1491 PolarHBondContact OG1-OD1 2.94Å; N1491-V1493 VanDerWaalsContact C-N 3.34Å; N1491-V1493 PolarHBondContact O-N 3.49Å; N1491-V1494 PolarHBondContact O-N 3.19Å; N1491-M1495 WeakPolarHBondContact O-CB 3.43Å; N1491-M1495 WeakPolarHBondContact O-CG 3.33Å; N1491-M1495 PolarHBondContact O-N 2.85Å |
| 1492 | R | 88.6 | Confident | 85.7 | Confident | 72 Ų | 72 | 53.7 Ų | 53.7 | 27% | 0.272 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -55.9 | -45.1 | 171.2 | -171.6 | -173.5 | -65 | -86.2 | -5.1 | 111.5 | T1488 D1489 V1494 M1495 Q1496 D1548 M1552 | T1488-R1492 PolarHBondContact O-N 3.09Å; D1489-R1492 WeakPolarHBondContact O-CB 3.16Å; D1489-R1492 PolarHBondContact O-N 3.14Å; R1492-V1494 PolarHBondContact O-N 2.76Å; R1492-M1495 PolarHBondContact O-N 3.38Å; R1492-Q1496 WeakPolarHBondContact O-CB 3.34Å; R1492-Q1496 PolarHBondContact O-N 3.21Å; R1492-D1548 IonicContact CZ-OD1 3.23Å; R1492-D1548 VanDerWaalsContact CZ-OD1 3.23Å; R1492-D1548 VanDerWaalsContact NH1-CG 3.29Å; R1492-D1548 IonicContact NH1-OD1 2.9Å; R1492-D1548 PolarHBondContact NH1-OD1 3.06Å; R1492-D1548 IonicContact NH2-OD1 3.9Å; R1492-D1548 PolarHBondContact NH2-OD1 2.8Å; R1492-D1548 IonicContact NH2-OD2 2.7Å; R1492-D1548 PolarHBondContact NH2-OD2 2.82Å; R1492-M1552 HydrophobicContact CG-CE 4.35Å; R1492-M1552 HydrophobicContact CG-SD 3.65Å |
| 1493 | V | 89.4 | Confident | 85.8 | Confident | 95 Ų | 95 | 57.5 Ų | 57.5 | 58% | 0.576 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.6 | -42.1 | 177.2 | 178.2 | 0 | 0 | 0 | 0 | 111.8 | D1489 T1490 N1491 Q1496 R1497 | D1489-V1493 PolarHBondContact O-N 2.98Å; T1490-V1493 PolarHBondContact O-N 3.41Å; N1491-V1493 VanDerWaalsContact C-N 3.34Å; N1491-V1493 PolarHBondContact O-N 3.49Å; V1493-Q1496 PolarHBondContact O-N 3.39Å; V1493-R1497 WeakPolarHBondContact O-CB 3.23Å; V1493-R1497 PolarHBondContact O-N 2.81Å |
| 1494 | V | 91 | Very high | 85.9 | Confident | 22 Ų | 22 | 57.3 Ų | 57.3 | 13% | 0.133 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67 | -37 | 177.2 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | F1453 V1456 T1490 N1491 R1492 L1498 | F1453-V1494 HydrophobicContact CB-CB 4.26Å; F1453-V1494 HydrophobicContact CB-CG1 4.19Å; F1453-V1494 HydrophobicContact CB-CG2 4.41Å; F1453-V1494 HydrophobicContact CD1-CB 4.3Å; F1453-V1494 HydrophobicContact CD1-CG1 4.11Å; V1456-V1494 HydrophobicContact CB-CG1 3.95Å; V1456-V1494 HydrophobicContact CG1-CG1 3.67Å; T1490-V1494 PolarHBondContact O-N 3.25Å; N1491-V1494 PolarHBondContact O-N 3.19Å; R1492-V1494 PolarHBondContact O-N 2.76Å; V1494-L1498 PolarHBondContact O-N 3.13Å |
| 1495 | M | 90.4 | Very high | 86.3 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.7 | -46 | 174.6 | -70.2 | -103.8 | -64.7 | 0 | 0 | 112.3 | F1453 A1481 S1484 L1487 N1491 R1492 R1497 L1498 F1499 M1552 | F1453-M1495 HydrophobicContact CD1-CG 4.22Å; F1453-M1495 HydrophobicContact CE1-CG 3.51Å; F1453-M1495 HydrophobicContact CE1-SD 3.6Å; F1453-M1495 HydrophobicContact CZ-CG 4.04Å; F1453-M1495 HydrophobicContact CZ-SD 3.9Å; A1481-M1495 HydrophobicContact CB-CE 4.33Å; A1481-M1495 HydrophobicContact CB-SD 3.61Å; A1481-M1495 WeakPolarHBondContact O-CE 3.28Å; S1484-M1495 WeakPolarHBondContact OG-CE 3.32Å; L1487-M1495 HydrophobicContact CD1-CE 3.84Å; L1487-M1495 HydrophobicContact CD2-CE 3.79Å; L1487-M1495 HydrophobicContact CD2-CG 3.64Å; L1487-M1495 HydrophobicContact CD2-SD 4.1Å; L1487-M1495 HydrophobicContact CG-CE 4.32Å; N1491-M1495 WeakPolarHBondContact O-CB 3.43Å; N1491-M1495 WeakPolarHBondContact O-CG 3.33Å; N1491-M1495 PolarHBondContact O-N 2.85Å; R1492-M1495 PolarHBondContact O-N 3.38Å; M1495-R1497 VanDerWaalsContact C-N 3.3Å; M1495-R1497 PolarHBondContact O-N 3.3Å; M1495-L1498 WeakPolarHBondContact O-CB 3.17Å; M1495-L1498 PolarHBondContact O-N 2.68Å; M1495-L1498 VanDerWaalsContact O-N 3.08Å; M1495-F1499 HydrophobicContact CB-CE2 4.33Å; M1495-F1499 HydrophobicContact CE-CE2 4.21Å; M1495-F1499 HydrophobicContact CE-CZ 4.18Å; M1495-F1499 WeakPolarHBondContact O-CD2 3.43Å; M1495-F1499 WeakPolarHBondContact O-CG 3.37Å; M1495-F1499 PolarHBondContact O-N 2.82Å; M1495-M1552 HydrophobicContact CB-CE 4.21Å; M1495-M1552 HydrophobicContact CB-SD 4.24Å; M1495-M1552 HydrophobicContact CE-CE 4.08Å |
| 1496 | Q | 91.1 | Very high | 87.2 | Confident | 63 Ų | 63 | 57.6 Ų | 57.6 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 176.8 | -160.3 | -175.3 | 38.8 | 0 | 0 | 110.2 | R1492 V1493 L1498 F1499 Q1500 M1552 E1555 | R1492-Q1496 WeakPolarHBondContact O-CB 3.34Å; R1492-Q1496 PolarHBondContact O-N 3.21Å; V1493-Q1496 PolarHBondContact O-N 3.39Å; Q1496-L1498 PolarHBondContact O-N 2.92Å; Q1496-F1499 PolarHBondContact O-N 3.27Å; Q1496-Q1500 VanDerWaalsContact O-CG 3.31Å; Q1496-Q1500 WeakPolarHBondContact O-CG 3.23Å; Q1496-Q1500 PolarHBondContact O-N 2.85Å; Q1496-M1552 HydrophobicContact CB-SD 4.13Å; Q1496-E1555 PolarHBondContact NE2-OE2 3.46Å |
| 1497 | R | 92.3 | Very high | 88.2 | Confident | 62 Ų | 62 | 55 Ų | 55 | 23% | 0.234 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 172 | -177.8 | -175.7 | 171.4 | 177.8 | 2.4 | 113.1 | S1457 L1460 D1461 V1493 M1495 F1499 Q1500 M1501 | S1457-R1497 PolarHBondContact OG-NH1 3.37Å; L1460-R1497 HydrophobicContact CD1-CG 4.24Å; L1460-R1497 PolarHBondContact O-NH2 2.82Å; D1461-R1497 IonicContact OD1-CZ 3.56Å; D1461-R1497 IonicContact OD1-NH1 2.74Å; D1461-R1497 PolarHBondContact OD1-NH1 3.31Å; D1461-R1497 IonicContact OD1-NH2 3.07Å; D1461-R1497 PolarHBondContact OD1-NH2 2.9Å; D1461-R1497 IonicContact OD2-NH1 2.8Å; V1493-R1497 WeakPolarHBondContact O-CB 3.23Å; V1493-R1497 PolarHBondContact O-N 2.81Å; M1495-R1497 VanDerWaalsContact C-N 3.3Å; M1495-R1497 PolarHBondContact O-N 3.3Å; R1497-F1499 VanDerWaalsContact C-N 3.34Å; R1497-Q1500 PolarHBondContact O-N 3.14Å; R1497-M1501 HydrophobicContact CG-SD 4.19Å; R1497-M1501 WeakPolarHBondContact O-CG 3.48Å; R1497-M1501 PolarHBondContact O-N 2.9Å; R1497-M1501 VanDerWaalsContact O-N 3.12Å |
| 1498 | L | 92.9 | Very high | 88.4 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63 | -41.7 | 174.8 | 177.8 | 63.7 | 0 | 0 | 0 | 111.1 | L1444 V1448 L1460 V1467 A1481 V1494 M1495 Q1496 M1501 A1502 | L1444-L1498 HydrophobicContact CD2-CD1 4.46Å; V1448-L1498 HydrophobicContact CG2-CD2 3.93Å; L1460-L1498 HydrophobicContact CD1-CB 4.12Å; L1460-L1498 HydrophobicContact CD1-CD1 4.4Å; L1460-L1498 HydrophobicContact CD2-CD1 3.95Å; V1467-L1498 HydrophobicContact CG1-CD1 4.43Å; A1481-L1498 HydrophobicContact CB-CD2 3.64Å; V1494-L1498 PolarHBondContact O-N 3.13Å; M1495-L1498 WeakPolarHBondContact O-CB 3.17Å; M1495-L1498 PolarHBondContact O-N 2.68Å; M1495-L1498 VanDerWaalsContact O-N 3.08Å; Q1496-L1498 PolarHBondContact O-N 2.92Å; L1498-M1501 PolarHBondContact O-N 2.9Å; L1498-A1502 VanDerWaalsContact O-CB 3.25Å; L1498-A1502 WeakPolarHBondContact O-CB 3.4Å; L1498-A1502 PolarHBondContact O-N 3.06Å |
| 1499 | F | 93 | Very high | 87.6 | Confident | 3 Ų | 3 | 57.5 Ų | 57.5 | 1% | 0.013 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.9 | -31.3 | 176.2 | -60.6 | -43 | 0 | 0 | 0 | 113.4 | A1478 A1481 M1495 Q1496 R1497 M1501 A1502 V1504 M1552 L1553 N1556 | A1478-F1499 HydrophobicContact CB-CD1 4.15Å; A1478-F1499 HydrophobicContact CB-CE1 4.19Å; A1478-F1499 WeakPolarHBondContact O-CE1 3.33Å; A1481-F1499 HydrophobicContact CB-CE1 4Å; A1481-F1499 HydrophobicContact CB-CZ 4.01Å; M1495-F1499 HydrophobicContact CB-CE2 4.33Å; M1495-F1499 HydrophobicContact CE-CE2 4.21Å; M1495-F1499 HydrophobicContact CE-CZ 4.18Å; M1495-F1499 WeakPolarHBondContact O-CD2 3.43Å; M1495-F1499 WeakPolarHBondContact O-CG 3.37Å; M1495-F1499 PolarHBondContact O-N 2.82Å; Q1496-F1499 PolarHBondContact O-N 3.27Å; R1497-F1499 VanDerWaalsContact C-N 3.34Å; F1499-M1501 VanDerWaalsContact C-N 3.29Å; F1499-M1501 PolarHBondContact O-N 3.38Å; F1499-A1502 VanDerWaalsContact O-O 3.05Å; F1499-V1504 HydrophobicContact CB-CG1 4.02Å; F1499-V1504 HydrophobicContact CD1-CG1 4.11Å; F1499-V1504 HydrophobicContact CG-CG1 4.39Å; F1499-M1552 HydrophobicContact CD2-CB 3.93Å; F1499-M1552 HydrophobicContact CE2-CB 4.08Å; F1499-M1552 HydrophobicContact CE2-CE 4.22Å; F1499-L1553 HydrophobicContact CD1-CD2 3.66Å; F1499-L1553 HydrophobicContact CD2-CD2 4.36Å; F1499-L1553 HydrophobicContact CE1-CD2 3.68Å; F1499-L1553 HydrophobicContact CE1-CG 4.4Å; F1499-L1553 HydrophobicContact CE2-CD2 4.38Å; F1499-L1553 HydrophobicContact CE2-CG 4.4Å; F1499-L1553 HydrophobicContact CG-CD2 4.03Å; F1499-L1553 HydrophobicContact CZ-CD2 4.06Å; F1499-L1553 HydrophobicContact CZ-CG 4.29Å; F1499-N1556 HydrophobicContact CB-CB 4.02Å |
| 1500 | Q | 91.9 | Very high | 86.4 | Confident | 127 Ų | 127 | 57.5 Ų | 57.5 | 59% | 0.593 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -66.5 | -30.2 | 170.9 | -72.9 | 170.4 | -2.7 | 0 | 0 | 112.7 | Q1496 R1497 N1556 | Q1496-Q1500 VanDerWaalsContact O-CG 3.31Å; Q1496-Q1500 WeakPolarHBondContact O-CG 3.23Å; Q1496-Q1500 PolarHBondContact O-N 2.85Å; R1497-Q1500 PolarHBondContact O-N 3.14Å; Q1500-N1556 WeakPolarHBondContact CA-OD1 3.29Å; Q1500-N1556 WeakPolarHBondContact CG-OD1 3.4Å; Q1500-N1556 PolarHBondContact N-OD1 3.13Å |
| 1501 | M | 90.6 | Very high | 84.9 | Confident | 72 Ų | 72 | 54.7 Ų | 54.7 | 36% | 0.355 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -92.1 | -22.4 | -177.9 | -71.5 | -178.8 | 60 | 0 | 0 | 113.7 | L1460 V1467 R1497 L1498 F1499 | L1460-M1501 HydrophobicContact CB-CE 4.29Å; L1460-M1501 HydrophobicContact CB-SD 4.01Å; L1460-M1501 HydrophobicContact CD2-CE 3.89Å; L1460-M1501 HydrophobicContact CD2-SD 3.91Å; L1460-M1501 HydrophobicContact CG-SD 4.37Å; V1467-M1501 WeakPolarHBondContact CG2-O 3.18Å; R1497-M1501 HydrophobicContact CG-SD 4.19Å; R1497-M1501 WeakPolarHBondContact O-CG 3.48Å; R1497-M1501 PolarHBondContact O-N 2.9Å; R1497-M1501 VanDerWaalsContact O-N 3.12Å; L1498-M1501 PolarHBondContact O-N 2.9Å; F1499-M1501 VanDerWaalsContact C-N 3.29Å; F1499-M1501 PolarHBondContact O-N 3.38Å |
| 1502 | A | 90.6 | Very high | 83.1 | Confident | 9 Ų | 9 | 63.2 Ų | 63.2 | 7% | 0.074 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -108.8 | 148.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1467 D1468 A1478 L1498 F1499 V1504 | V1467-A1502 HydrophobicContact CB-CB 4.09Å; V1467-A1502 HydrophobicContact CG2-CB 3.96Å; D1468-A1502 VanDerWaalsContact OD1-CA 3.32Å; D1468-A1502 WeakPolarHBondContact OD1-CA 3.33Å; A1478-A1502 HydrophobicContact CB-CB 4.02Å; L1498-A1502 VanDerWaalsContact O-CB 3.25Å; L1498-A1502 WeakPolarHBondContact O-CB 3.4Å; L1498-A1502 PolarHBondContact O-N 3.06Å; F1499-A1502 VanDerWaalsContact O-O 3.05Å; A1502-V1504 PolarHBondContact O-N 3.28Å |
| 1503 | N | 91.2 | Very high | 81 | Confident | 79 Ų | 79 | 62.2 Ų | 62.2 | 42% | 0.422 | 31% | 0.314 | S | S | . | . | trans | -74.8 | 93.8 | 173.5 | -176.6 | -8.6 | 0 | 0 | 0 | 110.7 | D1468 N1505 I1506 | D1468-N1503 PolarHBondContact OD1-N 2.91Å; D1468-N1503 WeakPolarHBondContact OD2-CB 3.38Å; N1503-N1505 PolarHBondContact O-N 3.46Å; N1503-N1505 VanDerWaalsContact O-N 3.1Å; N1503-N1505 WeakPolarHBondContact OD1-CB 3.06Å; N1503-N1505 PolarHBondContact OD1-N 3.35Å; N1503-N1505 VanDerWaalsContact OD1-N 3.13Å; N1503-I1506 HydrophobicContact CB-CD1 3.87Å; N1503-I1506 HydrophobicContact CB-CG1 3.96Å; N1503-I1506 WeakPolarHBondContact O-CG1 3.45Å; N1503-I1506 PolarHBondContact O-N 3.02Å | ||
| 1504 | V | 89.9 | Confident | 78.9 | Confident | 6 Ų | 6 | 59.4 Ų | 59.4 | 4% | 0.036 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -20 | 178.6 | -65 | 0 | 0 | 0 | 0 | 114.4 | F1499 A1502 L1553 N1556 A1558 | F1499-V1504 HydrophobicContact CB-CG1 4.02Å; F1499-V1504 HydrophobicContact CD1-CG1 4.11Å; F1499-V1504 HydrophobicContact CG-CG1 4.39Å; A1502-V1504 PolarHBondContact O-N 3.28Å; V1504-L1553 HydrophobicContact CB-CD2 3.88Å; V1504-L1553 HydrophobicContact CG1-CD2 3.55Å; V1504-N1556 HydrophobicContact CG1-CB 4.45Å; V1504-A1558 HydrophobicContact CB-CB 4.46Å; V1504-A1558 HydrophobicContact CG2-CB 4Å |
| 1505 | N | 91.5 | Very high | 76.4 | Confident | 50 Ų | 50 | 62.6 Ų | 62.6 | 27% | 0.267 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 8 | -177 | -67 | -40 | 0 | 0 | 0 | 113.7 | N1503 R1507 G1557 A1558 D1559 L1562 | N1503-N1505 PolarHBondContact O-N 3.46Å; N1503-N1505 VanDerWaalsContact O-N 3.1Å; N1503-N1505 WeakPolarHBondContact OD1-CB 3.06Å; N1503-N1505 PolarHBondContact OD1-N 3.35Å; N1503-N1505 VanDerWaalsContact OD1-N 3.13Å; N1505-R1507 PolarHBondContact O-N 3.49Å; N1505-G1557 PolarHBondContact ND2-O 2.85Å; N1505-A1558 WeakPolarHBondContact OD1-CA 3.35Å; N1505-D1559 PolarHBondContact OD1-N 3.5Å; N1505-L1562 HydrophobicContact CB-CD1 3.9Å |
| 1506 | I | 87.8 | Confident | 74 | Confident | 31 Ų | 31 | 67.4 Ų | 67.4 | 16% | 0.159 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 127.2 | 171.2 | -68.3 | 171.7 | 0 | 0 | 0 | 110.4 | D1468 T1476 N1503 | D1468-I1506 HydrophobicContact CB-CD1 3.63Å; T1476-I1506 HydrophobicContact CG2-CB 4.28Å; T1476-I1506 HydrophobicContact CG2-CD1 4.19Å; T1476-I1506 HydrophobicContact CG2-CG2 3.75Å; N1503-I1506 HydrophobicContact CB-CD1 3.87Å; N1503-I1506 HydrophobicContact CB-CG1 3.96Å; N1503-I1506 WeakPolarHBondContact O-CG1 3.45Å; N1503-I1506 PolarHBondContact O-N 3.02Å |
| 1507 | R | 86.3 | Confident | 71.6 | Confident | 103 Ų | 103 | 67.1 Ų | 67.1 | 39% | 0.389 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -85.3 | 143.4 | 171.5 | -65.7 | -169.7 | -171 | -172.6 | -1.7 | 111.1 | N1505 K1509 G1534 Q1535 T1536 Q1563 | N1505-R1507 PolarHBondContact O-N 3.49Å; R1507-K1509 PolarHBondContact O-N 2.94Å; R1507-G1534 WeakPolarHBondContact CB-O 3.48Å; R1507-G1534 WeakPolarHBondContact CD-O 3.42Å; R1507-G1534 WeakPolarHBondContact CG-O 3.33Å; R1507-Q1535 CarbonylContact C-O 3.59Å; R1507-Q1535 WeakPolarHBondContact CA-O 3.33Å; R1507-T1536 HydrophobicContact CG-CG2 3.9Å; R1507-Q1563 PolarHBondContact NE-O 2.93Å; R1507-Q1563 PolarHBondContact NH1-O 3.07Å; R1507-Q1563 PolarHBondContact NH2-O 3.17Å |
| 1508 | T | 79.8 | Confident | 69.2 | Low | 9 Ų | 9 | 67.9 Ų | 67.9 | 6% | 0.055 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 125.2 | 171 | 53.8 | 0 | 0 | 0 | 0 | 109.3 | M1479 G1534 Q1535 | M1479-T1508 HydrophobicContact CE-CG2 3.37Å; M1479-T1508 HydrophobicContact SD-CG2 4.26Å; T1508-G1534 VanDerWaalsContact O-CA 3.23Å; T1508-G1534 WeakPolarHBondContact O-CA 3.37Å; T1508-G1534 PolarHBondContact O-N 3.29Å; T1508-G1534 PolarHBondContact OG1-N 3.21Å; T1508-Q1535 PolarHBondContact N-O 3.18Å; T1508-Q1535 PolarHBondContact OG1-N 2.99Å; T1508-Q1535 VanDerWaalsContact OG1-N 3.12Å |
| 1509 | K | 65.2 | Low | 66.4 | Low | 142 Ų | 142 | 76.7 Ų | 76.7 | 62% | 0.617 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -81.8 | 138.6 | 176.3 | -66.8 | -178.5 | 178.2 | 178.8 | 0 | 109.8 | R1507 T1511 | R1507-K1509 PolarHBondContact O-N 2.94Å; K1509-T1511 PolarHBondContact O-N 2.99Å |
| 1510 | Q | 52.9 | Low | 63.8 | Low | 126 Ų | 126 | 82.1 Ų | 82.1 | 59% | 0.589 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -50.4 | 127.9 | 167.6 | -81.2 | -165.1 | 13 | 0 | 0 | 111.2 | H1533 E1565 | Q1510-H1533 HydrophobicContact CG-CB 4.01Å; Q1510-E1565 VanDerWaalsContact CG-OE2 3.29Å; Q1510-E1565 WeakPolarHBondContact CG-OE2 3.46Å; Q1510-E1565 PolarHBondContact NE2-OE2 2.82Å |
| 1511 | T | 50.1 | Low | 61.4 | Low | 40 Ų | 40 | 79.7 Ų | 79.7 | 25% | 0.245 | 41% | 0.409 | C | S | . | . | trans | -129.5 | 120.6 | 169.3 | 54.2 | 0 | 0 | 0 | 0 | 107.8 | K1472 K1509 G1513 | K1472-T1511 PolarHBondContact O-OG1 3.23Å; K1509-T1511 PolarHBondContact O-N 2.99Å; T1511-G1513 PolarHBondContact O-N 2.91Å | ||
| 1512 | E | 48.4 | Very low | 58.8 | Low | 214 Ų | 214 | 80.4 Ų | 80.4 | 100% | 1 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 24.2 | -173.2 | -54.4 | -176 | 133.8 | 0 | 0 | 114.9 | ||
| 1513 | G | 44.5 | Very low | 56.6 | Low | 51 Ų | 51 | 85.2 Ų | 85.2 | 53% | 0.526 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.4 | 18.6 | -164 | 0 | 0 | 0 | 0 | 0 | 116.6 | T1511 A1515 | T1511-G1513 PolarHBondContact O-N 2.91Å; G1513-A1515 PolarHBondContact O-N 2.8Å |
| 1514 | M | 45.1 | Very low | 54.3 | Low | 36 Ų | 36 | 86.7 Ų | 86.7 | 18% | 0.177 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 2.9 | -173 | -75.2 | -63.8 | -152.4 | 0 | 0 | 117.8 | A1473 V1516 L1531 | A1473-M1514 HydrophobicContact CB-SD 3.97Å; A1473-M1514 WeakPolarHBondContact O-CE 3.46Å; M1514-V1516 VanDerWaalsContact C-N 3.32Å; M1514-V1516 PolarHBondContact O-N 3.47Å; M1514-L1531 HydrophobicContact CB-CD1 4.46Å; M1514-L1531 HydrophobicContact CE-CB 4.17Å; M1514-L1531 HydrophobicContact CE-CD1 4.3Å; M1514-L1531 HydrophobicContact CG-CD1 4.49Å; M1514-L1531 HydrophobicContact SD-CD1 3.84Å |
| 1515 | A | 38.9 | Very low | 51.9 | Low | 89 Ų | 89 | 93.7 Ų | 93.7 | 74% | 0.736 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -3.5 | -169 | 0 | 0 | 0 | 0 | 0 | 116.6 | G1513 | G1513-A1515 PolarHBondContact O-N 2.8Š|
| 1516 | V | 40 | Very low | 49.4 | Very low | 103 Ų | 103 | 98 Ų | 98 | 62% | 0.624 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -112.1 | -40.9 | -165.8 | -175.3 | 0 | 0 | 0 | 0 | 114.7 | M1514 I1518 | M1514-V1516 VanDerWaalsContact C-N 3.32Å; M1514-V1516 PolarHBondContact O-N 3.47Å; V1516-I1518 VanDerWaalsContact C-N 3.32Å; V1516-I1518 PolarHBondContact O-N 3.36Å |
| 1517 | L | 41.7 | Very low | 47.1 | Very low | 56 Ų | 56 | 101.1 Ų | 101.1 | 29% | 0.293 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -6.2 | -172.3 | -87.9 | 167.6 | 0 | 0 | 0 | 115.3 | A1473 F1519 F1520 | A1473-L1517 HydrophobicContact CB-CD1 3.75Å; L1517-F1519 PolarHBondContact O-N 2.95Å; L1517-F1520 PolarHBondContact O-N 2.97Å; L1517-F1520 VanDerWaalsContact O-N 3.08Å |
| 1518 | I | 41.5 | Very low | 44.6 | Very low | 79 Ų | 79 | 102 Ų | 102 | 41% | 0.405 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -48.5 | -34.5 | 173.3 | -67.1 | 171 | 0 | 0 | 0 | 112.2 | V1516 F1520 I1522 | V1516-I1518 VanDerWaalsContact C-N 3.32Å; V1516-I1518 PolarHBondContact O-N 3.36Å; I1518-F1520 VanDerWaalsContact C-N 3.32Å; I1518-F1520 PolarHBondContact O-N 3.49Å; I1518-I1522 HydrophobicContact CG2-CD1 3.43Å; I1518-I1522 VanDerWaalsContact CG2-CD1 3.43Å; I1518-I1522 HydrophobicContact CG2-CG1 4Å; I1518-I1522 WeakPolarHBondContact O-CB 3.48Å; I1518-I1522 WeakPolarHBondContact O-CG1 3.39Å; I1518-I1522 PolarHBondContact O-N 3.01Å |
| 1519 | F | 33.2 | Very low | 42.8 | Very low | 186 Ų | 186 | 111.2 Ų | 111.2 | 82% | 0.816 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -70.8 | -16.8 | -177.5 | -104.6 | -75.9 | 0 | 0 | 0 | 115.9 | L1517 | L1517-F1519 PolarHBondContact O-N 2.95Å |
| 1520 | F | 39.4 | Very low | 41.7 | Very low | 117 Ų | 117 | 109.2 Ų | 109.2 | 51% | 0.513 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -87.7 | -37.4 | 177.1 | -152.9 | -100.6 | 0 | 0 | 0 | 111.6 | L1517 I1518 | L1517-F1520 PolarHBondContact O-N 2.97Å; L1517-F1520 VanDerWaalsContact O-N 3.08Å; I1518-F1520 VanDerWaalsContact C-N 3.32Å; I1518-F1520 PolarHBondContact O-N 3.49Å |
| 1521 | W | 41.2 | Very low | 41.4 | Very low | 75 Ų | 75 | 105.9 Ų | 105.9 | 28% | 0.284 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -85.3 | -24.9 | -175.9 | -66.6 | 102.2 | 0 | 0 | 0 | 114.5 | L1480 L1483 S1523 Q1524 | L1480-W1521 HydrophobicContact CD2-CZ2 3.82Å; L1483-W1521 HydrophobicContact CB-CH2 3.71Å; L1483-W1521 HydrophobicContact CB-CZ3 3.93Å; L1483-W1521 HydrophobicContact CD1-CH2 3.52Å; L1483-W1521 HydrophobicContact CD1-CZ2 3.99Å; L1483-W1521 HydrophobicContact CD1-CZ3 3.93Å; L1483-W1521 HydrophobicContact CG-CH2 4.24Å; L1483-W1521 HydrophobicContact CG-CZ3 4.45Å; W1521-S1523 PolarHBondContact O-N 3.15Å; W1521-Q1524 PolarHBondContact O-N 3.41Å |
| 1522 | I | 36.5 | Very low | 41.6 | Very low | 87 Ų | 87 | 106.3 Ų | 106.3 | 45% | 0.446 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.8 | -15 | 177.2 | -86.6 | -178.4 | 0 | 0 | 0 | 114.1 | I1518 Q1524 L1528 | I1518-I1522 HydrophobicContact CG2-CD1 3.43Å; I1518-I1522 VanDerWaalsContact CG2-CD1 3.43Å; I1518-I1522 HydrophobicContact CG2-CG1 4Å; I1518-I1522 WeakPolarHBondContact O-CB 3.48Å; I1518-I1522 WeakPolarHBondContact O-CG1 3.39Å; I1518-I1522 PolarHBondContact O-N 3.01Å; I1522-Q1524 PolarHBondContact O-N 3.09Å; I1522-L1528 HydrophobicContact CD1-CD1 4.05Å; I1522-L1528 HydrophobicContact CG1-CD1 4.43Å |
| 1523 | S | 44.2 | Very low | 42.7 | Very low | 111 Ų | 111 | 98.4 Ų | 98.4 | 78% | 0.776 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -14.5 | 170.8 | -163.4 | 0 | 0 | 0 | 0 | 114.1 | W1521 | W1521-S1523 PolarHBondContact O-N 3.15Š|
| 1524 | Q | 42.8 | Very low | 44.4 | Very low | 110 Ų | 110 | 96.1 Ų | 96.1 | 51% | 0.514 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -117.3 | 74.6 | 168.9 | -67.8 | -169 | 6.1 | 0 | 0 | 111 | W1521 I1522 | W1521-Q1524 PolarHBondContact O-N 3.41Å; I1522-Q1524 PolarHBondContact O-N 3.09Å |
| 1525 | L | 39.6 | Very low | 46.5 | Very low | 152 Ų | 152 | 95.2 Ų | 95.2 | 80% | 0.796 | 50% | 0.501 | S | S | * | . | trans | 48.1 | 90.7 | 150.6 | -65.4 | 169.6 | 0 | 0 | 0 | 118.6 | S1527 | L1525-S1527 VanDerWaalsContact C-N 3.3Å; L1525-S1527 PolarHBondContact O-N 3.07Å | ||
| 1526 | N | 39.1 | Very low | 49 | Very low | 142 Ų | 142 | 91 Ų | 91 | 76% | 0.759 | 47% | 0.466 | S | S | * | . | trans | 56.6 | 3.2 | 132.7 | -92.6 | 7.2 | 0 | 0 | 0 | 122.2 | L1528 | N1526-L1528 PolarHBondContact O-N 2.95Š| ||
| 1527 | S | 39.5 | Very low | 51.5 | Low | 95 Ų | 95 | 86.1 Ų | 86.1 | 66% | 0.664 | 44% | 0.436 | S | S | * | . | trans | -73.1 | 76.1 | 164.5 | -161.5 | 0 | 0 | 0 | 0 | 109.6 | L1525 Y1529 | L1525-S1527 VanDerWaalsContact C-N 3.3Å; L1525-S1527 PolarHBondContact O-N 3.07Å; S1527-Y1529 PolarHBondContact O-N 3.29Å | ||
| 1528 | L | 33.8 | Very low | 54 | Low | 123 Ų | 123 | 83.4 Ų | 83.4 | 64% | 0.644 | 42% | 0.422 | S | S | * | . | trans | -98.2 | 41.6 | -164.2 | -159.3 | 107.8 | 0 | 0 | 0 | 113.1 | I1522 N1526 | I1522-L1528 HydrophobicContact CD1-CD1 4.05Å; I1522-L1528 HydrophobicContact CG1-CD1 4.43Å; N1526-L1528 PolarHBondContact O-N 2.95Å | ||
| 1529 | Y | 40.7 | Very low | 56.4 | Low | 202 Ų | 202 | 79.7 Ų | 79.7 | 79% | 0.792 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -111 | 74.7 | 170 | -143.8 | -92.8 | 0 | 0 | 0 | 111.5 | S1527 L1531 | S1527-Y1529 PolarHBondContact O-N 3.29Å; Y1529-L1531 PolarHBondContact O-N 3.04Å |
| 1530 | V | 41.6 | Very low | 59.2 | Low | 100 Ų | 100 | 71 Ų | 71 | 61% | 0.606 | 37% | 0.365 | S | S | * | . | trans | 32 | 78.3 | 158.5 | -164.9 | 0 | 0 | 0 | 0 | 116.9 | Q1532 | V1530-Q1532 PolarHBondContact O-N 3.24Š| ||
| 1531 | L | 48.3 | Very low | 61.7 | Low | 55 Ų | 55 | 65.5 Ų | 65.5 | 29% | 0.288 | 34% | 0.341 | S | S | . | . | trans | 33.2 | 61.7 | 143.6 | -64.7 | 168.6 | 0 | 0 | 0 | 114.7 | Y1475 M1514 Y1529 H1533 | Y1475-L1531 HydrophobicContact CE2-CD2 4.41Å; Y1475-L1531 VanDerWaalsContact OH-CD2 3.24Å; Y1475-L1531 WeakPolarHBondContact OH-CD2 3.32Å; M1514-L1531 HydrophobicContact CB-CD1 4.46Å; M1514-L1531 HydrophobicContact CE-CB 4.17Å; M1514-L1531 HydrophobicContact CE-CD1 4.3Å; M1514-L1531 HydrophobicContact CG-CD1 4.49Å; M1514-L1531 HydrophobicContact SD-CD1 3.84Å; Y1529-L1531 PolarHBondContact O-N 3.04Å; L1531-H1533 PolarHBondContact O-CE1 3.48Å; L1531-H1533 VanDerWaalsContact O-CE1 3.28Å; L1531-H1533 PolarHBondContact O-N 3.36Å; L1531-H1533 PolarHBondContact O-ND1 3.23Å | ||
| 1532 | Q | 53.6 | Low | 64.2 | Low | 50 Ų | 50 | 61.9 Ų | 61.9 | 23% | 0.234 | 33% | 0.327 | C | S | . | . | trans | -55.8 | 132.7 | -167.7 | -66.8 | 168.1 | -80.7 | 0 | 0 | 111.2 | V1530 Q1535 D1566 | V1530-Q1532 PolarHBondContact O-N 3.24Å; Q1532-Q1535 HydrophobicContact CB-CG 4.36Å; Q1532-Q1535 WeakPolarHBondContact O-CG 3.41Å; Q1532-D1566 VanDerWaalsContact CG-OD2 3.26Å; Q1532-D1566 WeakPolarHBondContact CG-OD2 3.24Å; Q1532-D1566 PolarHBondContact NE2-OD2 2.98Å | ||
| 1533 | H | 70.9 | Confident | 66.8 | Low | 48 Ų | 48 | 58.3 Ų | 58.3 | 22% | 0.222 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 151 | -166 | -58 | -16 | 0 | 0 | 0 | 109.4 | Q1510 L1531 Q1535 E1565 | Q1510-H1533 HydrophobicContact CG-CB 4.01Å; L1531-H1533 PolarHBondContact O-CE1 3.48Å; L1531-H1533 VanDerWaalsContact O-CE1 3.28Å; L1531-H1533 PolarHBondContact O-N 3.36Å; L1531-H1533 PolarHBondContact O-ND1 3.23Å; H1533-Q1535 VanDerWaalsContact C-N 3.32Å; H1533-Q1535 PolarHBondContact O-N 3.34Å; H1533-E1565 HydrophobicContact CB-CB 4.16Å; H1533-E1565 VanDerWaalsContact CB-CD 3.45Å; H1533-E1565 HydrophobicContact CB-CG 4.2Å; H1533-E1565 WeakPolarHBondContact CB-OE2 3.49Å; H1533-E1565 WeakPolarHBondContact O-CB 3.47Å; H1533-E1565 PolarHBondContact O-N 3.36Å |
| 1534 | G | 80.4 | Confident | 68.9 | Low | 2 Ų | 2 | 56.9 Ų | 56.9 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | -0.8 | -176 | 0 | 0 | 0 | 0 | 0 | 116.8 | R1507 T1508 | R1507-G1534 WeakPolarHBondContact CB-O 3.48Å; R1507-G1534 WeakPolarHBondContact CD-O 3.42Å; R1507-G1534 WeakPolarHBondContact CG-O 3.33Å; T1508-G1534 VanDerWaalsContact O-CA 3.23Å; T1508-G1534 WeakPolarHBondContact O-CA 3.37Å; T1508-G1534 PolarHBondContact O-N 3.29Å; T1508-G1534 PolarHBondContact OG1-N 3.21Å |
| 1535 | Q | 89.4 | Confident | 71.2 | Confident | 18 Ų | 18 | 53 Ų | 53 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | trans | -62.4 | 146.1 | -179.3 | -76.8 | -175 | -15.5 | 0 | 0 | 113.2 | M1479 R1507 T1508 Q1532 H1533 M1539 D1564 | M1479-Q1535 WeakPolarHBondContact CE-O 3.4Å; R1507-Q1535 CarbonylContact C-O 3.59Å; R1507-Q1535 WeakPolarHBondContact CA-O 3.33Å; T1508-Q1535 PolarHBondContact N-O 3.18Å; T1508-Q1535 PolarHBondContact OG1-N 2.99Å; T1508-Q1535 VanDerWaalsContact OG1-N 3.12Å; Q1532-Q1535 HydrophobicContact CB-CG 4.36Å; Q1532-Q1535 WeakPolarHBondContact O-CG 3.41Å; H1533-Q1535 VanDerWaalsContact C-N 3.32Å; H1533-Q1535 PolarHBondContact O-N 3.34Å; Q1535-M1539 HydrophobicContact CB-CB 4.48Å; Q1535-M1539 HydrophobicContact CB-SD 4.18Å; Q1535-M1539 HydrophobicContact CG-SD 4.21Å; Q1535-D1564 HydrophobicContact CG-CB 3.89Å; Q1535-D1564 WeakPolarHBondContact CG-OD2 3.32Å | ||
| 1536 | T | 91.5 | Very high | 73.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | trans | -98.8 | 170 | 177.8 | 64 | 0 | 0 | 0 | 0 | 112 | R1507 I1538 M1539 L1540 L1562 | R1507-T1536 HydrophobicContact CG-CG2 3.9Å; T1536-I1538 PolarHBondContact O-N 2.89Å; T1536-I1538 VanDerWaalsContact OG1-CG2 3.3Å; T1536-I1538 WeakPolarHBondContact OG1-CG2 3.36Å; T1536-M1539 HydrophobicContact CG2-CE 4.03Å; T1536-M1539 HydrophobicContact CG2-SD 4.07Å; T1536-M1539 PolarHBondContact N-SD 3.47Å; T1536-M1539 PolarHBondContact O-N 3.27Å; T1536-M1539 WeakPolarHBondContact OG1-CG 3.18Å; T1536-M1539 PolarHBondContact OG1-N 2.78Å; T1536-M1539 PolarHBondContact OG1-SD 3.42Å; T1536-M1539 VanDerWaalsContact OG1-SD 3.37Å; T1536-L1540 WeakPolarHBondContact O-CG 3.25Å; T1536-L1540 PolarHBondContact O-N 3.01Å; T1536-L1562 HydrophobicContact CG2-CB 4.16Å; T1536-L1562 HydrophobicContact CG2-CD1 3.84Å | ||
| 1537 | A | 92 | Very high | 76.1 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.8 | -35.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | M1479 A1482 A1541 L1553 | M1479-A1537 HydrophobicContact CG-CB 4.01Å; A1482-A1537 HydrophobicContact CB-CB 4.25Å; A1482-A1537 WeakPolarHBondContact CB-O 3.4Å; A1537-A1541 PolarHBondContact O-N 2.89Å; A1537-L1553 HydrophobicContact CB-CD1 4.09Å; A1537-L1553 HydrophobicContact CB-CD2 3.97Å; A1537-L1553 WeakPolarHBondContact O-CD1 3.44Å |
| 1538 | I | 94.5 | Very high | 78.5 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -77 | -33.8 | -179.1 | -172.4 | 159.6 | 0 | 0 | 0 | 112.9 | T1536 A1541 A1542 V1550 L1553 I1554 A1558 V1560 A1570 | T1536-I1538 PolarHBondContact O-N 2.89Å; T1536-I1538 VanDerWaalsContact OG1-CG2 3.3Å; T1536-I1538 WeakPolarHBondContact OG1-CG2 3.36Å; I1538-A1541 PolarHBondContact O-N 3.02Å; I1538-A1542 WeakPolarHBondContact O-CB 3.06Å; I1538-A1542 PolarHBondContact O-N 3.42Å; I1538-V1550 HydrophobicContact CD1-CG1 4.34Å; I1538-V1550 HydrophobicContact CG1-CG1 4.44Å; I1538-L1553 HydrophobicContact CB-CB 4.45Å; I1538-L1553 HydrophobicContact CB-CD1 4.13Å; I1538-L1553 HydrophobicContact CD1-CB 4.44Å; I1538-I1554 HydrophobicContact CD1-CD1 4.24Å; I1538-I1554 HydrophobicContact CD1-CG1 3.67Å; I1538-A1558 HydrophobicContact CB-CB 4.19Å; I1538-A1558 HydrophobicContact CD1-CB 3.93Å; I1538-A1558 HydrophobicContact CG2-CB 4.24Å; I1538-V1560 HydrophobicContact CD1-CG1 3.75Å; I1538-A1570 HydrophobicContact CG1-CB 4.17Å; I1538-A1570 HydrophobicContact CG2-CB 4.26Å |
| 1539 | M | 93.1 | Very high | 81.2 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | 170.6 | -67.2 | 158.1 | -175.7 | 0 | 0 | 111.4 | Q1535 T1536 A1542 S1543 L1562 D1564 S1568 A1570 | Q1535-M1539 HydrophobicContact CB-CB 4.48Å; Q1535-M1539 HydrophobicContact CB-SD 4.18Å; Q1535-M1539 HydrophobicContact CG-SD 4.21Å; T1536-M1539 HydrophobicContact CG2-CE 4.03Å; T1536-M1539 HydrophobicContact CG2-SD 4.07Å; T1536-M1539 PolarHBondContact N-SD 3.47Å; T1536-M1539 PolarHBondContact O-N 3.27Å; T1536-M1539 WeakPolarHBondContact OG1-CG 3.18Å; T1536-M1539 PolarHBondContact OG1-N 2.78Å; T1536-M1539 PolarHBondContact OG1-SD 3.42Å; T1536-M1539 VanDerWaalsContact OG1-SD 3.37Å; M1539-A1542 PolarHBondContact O-N 3.42Å; M1539-S1543 PolarHBondContact O-N 2.91Å; M1539-S1543 PolarHBondContact O-OG 3.44Å; M1539-L1562 HydrophobicContact CE-CB 4.2Å; M1539-L1562 WeakPolarHBondContact CE-O 3.49Å; M1539-D1564 HydrophobicContact CE-CB 4.38Å; M1539-D1564 HydrophobicContact SD-CB 4Å; M1539-S1568 VanDerWaalsContact CE-O 3.27Å; M1539-S1568 WeakPolarHBondContact CE-O 3.29Å; M1539-A1570 HydrophobicContact CG-CB 4.32Å |
| 1540 | L | 90.9 | Very high | 83.7 | Confident | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.4 | -39.9 | 176.9 | -70.8 | 169.9 | 0 | 0 | 0 | 112.4 | Y1475 M1479 L1483 T1536 A1542 S1543 H1544 | Y1475-L1540 HydrophobicContact CD1-CD1 4.2Å; Y1475-L1540 HydrophobicContact CE1-CD1 3.77Å; Y1475-L1540 HydrophobicContact CE1-CD2 4.33Å; M1479-L1540 HydrophobicContact CB-CD1 3.89Å; M1479-L1540 HydrophobicContact CE-CD1 3.99Å; M1479-L1540 HydrophobicContact CG-CD1 4.28Å; L1483-L1540 HydrophobicContact CD1-CD1 4.37Å; L1483-L1540 HydrophobicContact CD1-CD2 4.43Å; L1483-L1540 HydrophobicContact CD2-CB 3.95Å; L1483-L1540 HydrophobicContact CD2-CD2 4.44Å; L1483-L1540 HydrophobicContact CG-CB 4.19Å; T1536-L1540 WeakPolarHBondContact O-CG 3.25Å; T1536-L1540 PolarHBondContact O-N 3.01Å; L1540-A1542 VanDerWaalsContact C-N 3.35Å; L1540-S1543 PolarHBondContact O-OG 3.14Å; L1540-H1544 WeakPolarHBondContact O-CB 3.12Å; L1540-H1544 PolarHBondContact O-CD2 3.46Å; L1540-H1544 PolarHBondContact O-N 3.29Å |
| 1541 | A | 92.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66 | -38.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1482 A1537 I1538 G1545 K1546 A1549 V1550 L1553 | A1482-A1541 HydrophobicContact CB-CB 4.34Å; A1537-A1541 PolarHBondContact O-N 2.89Å; I1538-A1541 PolarHBondContact O-N 3.02Å; A1541-G1545 PolarHBondContact O-N 3.02Å; A1541-K1546 HydrophobicContact CB-CB 4.14Å; A1541-K1546 WeakPolarHBondContact O-CB 3.39Å; A1541-K1546 PolarHBondContact O-N 3.16Å; A1541-A1549 HydrophobicContact CB-CB 3.9Å; A1541-V1550 HydrophobicContact CB-CG2 3.57Å; A1541-L1553 HydrophobicContact CB-CD1 3.97Å |
| 1542 | A | 93.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.4 | -49.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | I1538 M1539 L1540 H1544 G1545 C1573 A1574 H1579 I1582 | I1538-A1542 WeakPolarHBondContact O-CB 3.06Å; I1538-A1542 PolarHBondContact O-N 3.42Å; M1539-A1542 PolarHBondContact O-N 3.42Å; L1540-A1542 VanDerWaalsContact C-N 3.35Å; A1542-H1544 VanDerWaalsContact C-N 3.32Å; A1542-H1544 PolarHBondContact O-N 2.67Å; A1542-G1545 PolarHBondContact O-N 2.92Å; A1542-C1573 HydrophobicContact CB-CB 4.45Å; A1542-A1574 HydrophobicContact CB-CB 4.24Å; A1542-H1579 PolarHBondContact O-CD2 3.27Å; A1542-I1582 HydrophobicContact CB-CG2 4.18Å |
| 1543 | S | 91.5 | Very high | 90.2 | Very high | 12 Ų | 12 | 19.2 Ų | 19.2 | 8% | 0.084 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.9 | -30 | 178.9 | 59.6 | 0 | 0 | 0 | 0 | 113.3 | M1539 L1540 H1577 H1579 | M1539-S1543 PolarHBondContact O-N 2.91Å; M1539-S1543 PolarHBondContact O-OG 3.44Å; L1540-S1543 PolarHBondContact O-OG 3.14Å; S1543-H1577 WeakPolarHBondContact O-CB 3.39Å; S1543-H1577 PolarHBondContact O-CD2 2.83Å; S1543-H1577 VanDerWaalsContact O-CD2 3.26Å; S1543-H1579 PolarHBondContact O-CD2 3.19Å; S1543-H1579 PolarHBondContact O-NE2 2.98Å |
| 1544 | H | 88.7 | Confident | 91.3 | Very high | 81 Ų | 81 | 18.6 Ų | 18.6 | 38% | 0.375 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 9.4 | 177.3 | -76 | -91.4 | 0 | 0 | 0 | 114.9 | L1483 L1540 A1542 K1546 | L1483-H1544 HydrophobicContact CD2-CB 4.18Å; L1483-H1544 WeakPolarHBondContact CD2-CD2 3.45Å; L1540-H1544 WeakPolarHBondContact O-CB 3.12Å; L1540-H1544 PolarHBondContact O-CD2 3.46Å; L1540-H1544 PolarHBondContact O-N 3.29Å; A1542-H1544 VanDerWaalsContact C-N 3.32Å; A1542-H1544 PolarHBondContact O-N 2.67Å; H1544-K1546 VanDerWaalsContact C-N 3.28Å; H1544-K1546 HydrophobicContact CB-CG 3.87Å; H1544-K1546 PolarHBondContact O-N 3.39Å |
| 1545 | G | 90.3 | Very high | 91.9 | Very high | 28 Ų | 28 | 24 Ų | 24 | 29% | 0.289 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 22.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A1541 A1542 M1547 H1579 | A1541-G1545 PolarHBondContact O-N 3.02Å; A1542-G1545 PolarHBondContact O-N 2.92Å; G1545-M1547 VanDerWaalsContact C-N 3.33Å; G1545-M1547 PolarHBondContact O-N 3.28Å; G1545-H1579 WeakPolarHBondContact CA-CE1 3.38Å; G1545-H1579 WeakPolarHBondContact CA-ND1 3.09Å; G1545-H1579 PolarHBondContact N-NE2 3.42Å |
| 1546 | K | 89.7 | Confident | 92 | Very high | 37 Ų | 37 | 24.9 Ų | 24.9 | 16% | 0.161 | 13% | 0.133 | C | C | . | . | trans | -85 | 70.5 | -170.6 | -56 | -62.4 | -176.2 | 161.6 | 0 | 111.8 | S1484 A1541 H1544 D1548 A1549 V1550 | S1484-K1546 WeakPolarHBondContact O-CD 3.38Å; S1484-K1546 VanDerWaalsContact O-CE 3.29Å; S1484-K1546 WeakPolarHBondContact O-CE 3.45Å; S1484-K1546 PolarHBondContact O-NZ 3.3Å; A1541-K1546 HydrophobicContact CB-CB 4.14Å; A1541-K1546 WeakPolarHBondContact O-CB 3.39Å; A1541-K1546 PolarHBondContact O-N 3.16Å; H1544-K1546 VanDerWaalsContact C-N 3.28Å; H1544-K1546 HydrophobicContact CB-CG 3.87Å; H1544-K1546 PolarHBondContact O-N 3.39Å; K1546-D1548 VanDerWaalsContact C-N 3.29Å; K1546-D1548 PolarHBondContact O-N 2.66Å; K1546-A1549 HydrophobicContact CB-CB 3.82Å; K1546-A1549 WeakPolarHBondContact O-CA 3.48Å; K1546-A1549 PolarHBondContact O-N 2.85Å; K1546-V1550 PolarHBondContact O-N 3.31Å | ||
| 1547 | M | 91.2 | Very high | 92 | Very high | 58 Ų | 58 | 27.3 Ų | 27.3 | 29% | 0.286 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -49.8 | -45.9 | -175 | -168.4 | 70.2 | -93.1 | 0 | 0 | 113.6 | G1545 A1549 V1550 T1551 E1581 I1582 L1585 | G1545-M1547 VanDerWaalsContact C-N 3.33Å; G1545-M1547 PolarHBondContact O-N 3.28Å; M1547-A1549 PolarHBondContact O-N 3.15Å; M1547-V1550 HydrophobicContact CE-CB 4.29Å; M1547-V1550 HydrophobicContact CE-CG1 4.39Å; M1547-V1550 PolarHBondContact O-N 2.94Å; M1547-T1551 PolarHBondContact O-N 2.94Å; M1547-T1551 PolarHBondContact O-OG1 3.28Å; M1547-E1581 HydrophobicContact SD-CB 4.22Å; M1547-I1582 HydrophobicContact CE-CG1 3.87Å; M1547-I1582 HydrophobicContact SD-CG1 3.71Å; M1547-L1585 HydrophobicContact CE-CB 3.88Å; M1547-L1585 HydrophobicContact CE-CD1 3.75Å; M1547-L1585 HydrophobicContact CE-CD2 3.85Å; M1547-L1585 HydrophobicContact CE-CG 4.03Å |
| 1548 | D | 90.4 | Very high | 92 | Very high | 65 Ų | 65 | 27.5 Ų | 27.5 | 35% | 0.348 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 176.2 | -76.8 | -41.1 | 0 | 0 | 0 | 113.3 | L1487 R1492 K1546 M1552 | L1487-D1548 HydrophobicContact CD1-CB 3.91Å; R1492-D1548 IonicContact CZ-OD1 3.23Å; R1492-D1548 VanDerWaalsContact CZ-OD1 3.23Å; R1492-D1548 VanDerWaalsContact NH1-CG 3.29Å; R1492-D1548 IonicContact NH1-OD1 2.9Å; R1492-D1548 PolarHBondContact NH1-OD1 3.06Å; R1492-D1548 IonicContact NH2-OD1 3.9Å; R1492-D1548 PolarHBondContact NH2-OD1 2.8Å; R1492-D1548 IonicContact NH2-OD2 2.7Å; R1492-D1548 PolarHBondContact NH2-OD2 2.82Å; K1546-D1548 VanDerWaalsContact C-N 3.29Å; K1546-D1548 PolarHBondContact O-N 2.66Å; D1548-M1552 HydrophobicContact CB-CE 4.43Å; D1548-M1552 WeakPolarHBondContact O-CE 3.4Å; D1548-M1552 WeakPolarHBondContact O-CG 3.46Å; D1548-M1552 PolarHBondContact O-N 3.06Å |
| 1549 | A | 91.2 | Very high | 91.9 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 3% | 0.033 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.3 | -41.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1541 K1546 M1547 T1551 M1552 L1553 | A1541-A1549 HydrophobicContact CB-CB 3.9Å; K1546-A1549 HydrophobicContact CB-CB 3.82Å; K1546-A1549 WeakPolarHBondContact O-CA 3.48Å; K1546-A1549 PolarHBondContact O-N 2.85Å; M1547-A1549 PolarHBondContact O-N 3.15Å; A1549-T1551 VanDerWaalsContact C-N 3.33Å; A1549-T1551 PolarHBondContact O-N 3.09Å; A1549-M1552 PolarHBondContact O-N 2.82Å; A1549-L1553 VanDerWaalsContact O-CB 3.28Å; A1549-L1553 WeakPolarHBondContact O-CB 3.44Å; A1549-L1553 WeakPolarHBondContact O-CD1 3.48Å; A1549-L1553 WeakPolarHBondContact O-CG 3.4Å; A1549-L1553 PolarHBondContact O-N 3.2Å |
| 1550 | V | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58 | -47.4 | 173.9 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | I1538 A1541 K1546 M1547 L1553 I1554 I1582 L1585 L1586 | I1538-V1550 HydrophobicContact CD1-CG1 4.34Å; I1538-V1550 HydrophobicContact CG1-CG1 4.44Å; A1541-V1550 HydrophobicContact CB-CG2 3.57Å; K1546-V1550 PolarHBondContact O-N 3.31Å; M1547-V1550 HydrophobicContact CE-CB 4.29Å; M1547-V1550 HydrophobicContact CE-CG1 4.39Å; M1547-V1550 PolarHBondContact O-N 2.94Å; V1550-L1553 PolarHBondContact O-N 2.93Å; V1550-I1554 HydrophobicContact CG1-CD1 3.64Å; V1550-I1554 WeakPolarHBondContact O-CD1 3.32Å; V1550-I1554 WeakPolarHBondContact O-CG1 3.37Å; V1550-I1554 PolarHBondContact O-N 3.37Å; V1550-I1582 HydrophobicContact CG1-CG2 4.29Å; V1550-I1582 HydrophobicContact CG2-CD1 4.04Å; V1550-I1582 HydrophobicContact CG2-CG1 4.44Å; V1550-I1582 HydrophobicContact CG2-CG2 4.15Å; V1550-L1585 HydrophobicContact CG1-CD2 4.04Å; V1550-L1586 HydrophobicContact CG1-CD2 4.46Å |
| 1551 | T | 93.5 | Very high | 92 | Very high | 43 Ų | 43 | 32.4 Ų | 32.4 | 26% | 0.264 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59.9 | -52.2 | 179.4 | -50.7 | 0 | 0 | 0 | 0 | 111.3 | M1547 A1549 L1553 I1554 E1555 | M1547-T1551 PolarHBondContact O-N 2.94Å; M1547-T1551 PolarHBondContact O-OG1 3.28Å; A1549-T1551 VanDerWaalsContact C-N 3.33Å; A1549-T1551 PolarHBondContact O-N 3.09Å; T1551-L1553 VanDerWaalsContact C-N 3.29Å; T1551-L1553 PolarHBondContact O-N 3.33Å; T1551-I1554 PolarHBondContact O-N 3.42Å; T1551-E1555 WeakPolarHBondContact O-CG 3.32Å; T1551-E1555 PolarHBondContact O-N 2.89Å |
| 1552 | M | 92.6 | Very high | 92 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.015 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.9 | -32.4 | 177.6 | -72.8 | -175 | -72.6 | 0 | 0 | 113.3 | L1487 R1492 M1495 Q1496 F1499 D1548 A1549 N1556 | L1487-M1552 HydrophobicContact CD1-CE 3.56Å; R1492-M1552 HydrophobicContact CG-CE 4.35Å; R1492-M1552 HydrophobicContact CG-SD 3.65Å; M1495-M1552 HydrophobicContact CB-CE 4.21Å; M1495-M1552 HydrophobicContact CB-SD 4.24Å; M1495-M1552 HydrophobicContact CE-CE 4.08Å; Q1496-M1552 HydrophobicContact CB-SD 4.13Å; F1499-M1552 HydrophobicContact CD2-CB 3.93Å; F1499-M1552 HydrophobicContact CE2-CB 4.08Å; F1499-M1552 HydrophobicContact CE2-CE 4.22Å; D1548-M1552 HydrophobicContact CB-CE 4.43Å; D1548-M1552 WeakPolarHBondContact O-CE 3.4Å; D1548-M1552 WeakPolarHBondContact O-CG 3.46Å; D1548-M1552 PolarHBondContact O-N 3.06Å; A1549-M1552 PolarHBondContact O-N 2.82Å; M1552-N1556 WeakPolarHBondContact O-CB 3.31Å; M1552-N1556 PolarHBondContact O-N 3.49Å; M1552-N1556 PolarHBondContact O-ND2 3.27Å |
| 1553 | L | 94.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.5 | -40.4 | 177.1 | -74.2 | 166.9 | 0 | 0 | 0 | 111.2 | A1482 F1499 V1504 A1537 I1538 A1541 A1549 V1550 T1551 N1556 G1557 A1558 | A1482-L1553 HydrophobicContact CB-CD1 4.05Å; F1499-L1553 HydrophobicContact CD1-CD2 3.66Å; F1499-L1553 HydrophobicContact CD2-CD2 4.36Å; F1499-L1553 HydrophobicContact CE1-CD2 3.68Å; F1499-L1553 HydrophobicContact CE1-CG 4.4Å; F1499-L1553 HydrophobicContact CE2-CD2 4.38Å; F1499-L1553 HydrophobicContact CE2-CG 4.4Å; F1499-L1553 HydrophobicContact CG-CD2 4.03Å; F1499-L1553 HydrophobicContact CZ-CD2 4.06Å; F1499-L1553 HydrophobicContact CZ-CG 4.29Å; V1504-L1553 HydrophobicContact CB-CD2 3.88Å; V1504-L1553 HydrophobicContact CG1-CD2 3.55Å; A1537-L1553 HydrophobicContact CB-CD1 4.09Å; A1537-L1553 HydrophobicContact CB-CD2 3.97Å; A1537-L1553 WeakPolarHBondContact O-CD1 3.44Å; I1538-L1553 HydrophobicContact CB-CB 4.45Å; I1538-L1553 HydrophobicContact CB-CD1 4.13Å; I1538-L1553 HydrophobicContact CD1-CB 4.44Å; A1541-L1553 HydrophobicContact CB-CD1 3.97Å; A1549-L1553 VanDerWaalsContact O-CB 3.28Å; A1549-L1553 WeakPolarHBondContact O-CB 3.44Å; A1549-L1553 WeakPolarHBondContact O-CD1 3.48Å; A1549-L1553 WeakPolarHBondContact O-CG 3.4Å; A1549-L1553 PolarHBondContact O-N 3.2Å; V1550-L1553 PolarHBondContact O-N 2.93Å; T1551-L1553 VanDerWaalsContact C-N 3.29Å; T1551-L1553 PolarHBondContact O-N 3.33Å; L1553-N1556 CarbonylContact O-C 3.57Å; L1553-N1556 PolarHBondContact O-N 2.88Å; L1553-N1556 VanDerWaalsContact O-N 3.17Å; L1553-G1557 PolarHBondContact O-N 3.44Å; L1553-A1558 HydrophobicContact CB-CB 3.9Å; L1553-A1558 WeakPolarHBondContact O-CB 3.4Å; L1553-A1558 PolarHBondContact O-N 3.45Å |
| 1554 | I | 93.8 | Very high | 91.8 | Very high | 34 Ų | 34 | 36.3 Ų | 36.3 | 17% | 0.174 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.8 | -44.1 | 175.1 | -66.7 | 158.3 | 0 | 0 | 0 | 110.9 | I1538 V1550 T1551 N1556 G1557 V1560 L1585 L1586 L1589 | I1538-I1554 HydrophobicContact CD1-CD1 4.24Å; I1538-I1554 HydrophobicContact CD1-CG1 3.67Å; V1550-I1554 HydrophobicContact CG1-CD1 3.64Å; V1550-I1554 WeakPolarHBondContact O-CD1 3.32Å; V1550-I1554 WeakPolarHBondContact O-CG1 3.37Å; V1550-I1554 PolarHBondContact O-N 3.37Å; T1551-I1554 PolarHBondContact O-N 3.42Å; I1554-N1556 PolarHBondContact O-N 2.82Å; I1554-G1557 PolarHBondContact O-N 3.26Å; I1554-V1560 HydrophobicContact CG1-CG1 4.31Å; I1554-L1585 HydrophobicContact CD1-CD2 3.38Å; I1554-L1586 HydrophobicContact CD1-CD2 4.18Å; I1554-L1589 HydrophobicContact CD1-CD1 3.93Å; I1554-L1589 HydrophobicContact CG1-CD1 4.25Å; I1554-L1589 HydrophobicContact CG2-CD1 4.24Å; I1554-L1589 HydrophobicContact CG2-CD2 3.92Å |
| 1555 | E | 92.5 | Very high | 91.7 | Very high | 115 Ų | 115 | 35.9 Ų | 35.9 | 54% | 0.537 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -55 | -31.3 | 172.6 | -72.2 | 171.2 | -174.3 | 0 | 0 | 112.8 | Q1496 T1551 | Q1496-E1555 PolarHBondContact NE2-OE2 3.46Å; T1551-E1555 WeakPolarHBondContact O-CG 3.32Å; T1551-E1555 PolarHBondContact O-N 2.89Å |
| 1556 | N | 91.6 | Very high | 91.5 | Very high | 38 Ų | 38 | 37.7 Ų | 37.7 | 20% | 0.203 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 17.7 | 179.3 | -73.8 | -74.8 | 0 | 0 | 0 | 113.9 | F1499 Q1500 V1504 M1552 L1553 I1554 | F1499-N1556 HydrophobicContact CB-CB 4.02Å; Q1500-N1556 WeakPolarHBondContact CA-OD1 3.29Å; Q1500-N1556 WeakPolarHBondContact CG-OD1 3.4Å; Q1500-N1556 PolarHBondContact N-OD1 3.13Å; V1504-N1556 HydrophobicContact CG1-CB 4.45Å; M1552-N1556 WeakPolarHBondContact O-CB 3.31Å; M1552-N1556 PolarHBondContact O-N 3.49Å; M1552-N1556 PolarHBondContact O-ND2 3.27Å; L1553-N1556 CarbonylContact O-C 3.57Å; L1553-N1556 PolarHBondContact O-N 2.88Å; L1553-N1556 VanDerWaalsContact O-N 3.17Å; I1554-N1556 PolarHBondContact O-N 2.82Å |
| 1557 | G | 90.6 | Very high | 91.5 | Very high | 50 Ų | 50 | 36.2 Ų | 36.2 | 52% | 0.515 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 30.4 | 173 | 0 | 0 | 0 | 0 | 0 | 114.8 | N1505 L1553 I1554 D1559 | N1505-G1557 PolarHBondContact ND2-O 2.85Å; L1553-G1557 PolarHBondContact O-N 3.44Å; I1554-G1557 PolarHBondContact O-N 3.26Å; G1557-D1559 PolarHBondContact O-N 3.37Å |
| 1558 | A | 92.7 | Very high | 91.6 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | trans | -64 | 127 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111 | V1504 N1505 I1538 L1553 V1560 | V1504-A1558 HydrophobicContact CB-CB 4.46Å; V1504-A1558 HydrophobicContact CG2-CB 4Å; N1505-A1558 WeakPolarHBondContact OD1-CA 3.35Å; I1538-A1558 HydrophobicContact CB-CB 4.19Å; I1538-A1558 HydrophobicContact CD1-CB 3.93Å; I1538-A1558 HydrophobicContact CG2-CB 4.24Å; L1553-A1558 HydrophobicContact CB-CB 3.9Å; L1553-A1558 WeakPolarHBondContact O-CB 3.4Å; L1553-A1558 PolarHBondContact O-N 3.45Å; A1558-V1560 PolarHBondContact O-N 2.88Å | ||
| 1559 | D | 92.8 | Very high | 91.8 | Very high | 68 Ų | 68 | 31.2 Ų | 31.2 | 36% | 0.364 | 18% | 0.176 | S | C | . | . | trans | -82 | 109.6 | 176.6 | 178.1 | 1.8 | 0 | 0 | 0 | 109.6 | N1505 G1557 N1561 L1562 | N1505-D1559 PolarHBondContact OD1-N 3.5Å; G1557-D1559 PolarHBondContact O-N 3.37Å; D1559-N1561 VanDerWaalsContact C-N 3.28Å; D1559-N1561 PolarHBondContact O-N 2.86Å; D1559-N1561 PolarHBondContact OD1-N 2.98Å; D1559-L1562 HydrophobicContact CB-CD1 3.88Å; D1559-L1562 HydrophobicContact CB-CG 3.77Å | ||
| 1560 | V | 92.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -19.2 | -176.9 | -68.9 | 0 | 0 | 0 | 0 | 113.7 | I1538 I1554 A1558 L1586 L1589 Q1591 I1592 | I1538-V1560 HydrophobicContact CD1-CG1 3.75Å; I1554-V1560 HydrophobicContact CG1-CG1 4.31Å; A1558-V1560 PolarHBondContact O-N 2.88Å; V1560-L1586 HydrophobicContact CB-CD2 4.27Å; V1560-L1586 HydrophobicContact CG1-CD2 3.61Å; V1560-L1589 HydrophobicContact CG1-CD1 3.73Å; V1560-L1589 HydrophobicContact CG2-CD1 4.26Å; V1560-Q1591 HydrophobicContact CG2-CG 4.32Å; V1560-I1592 HydrophobicContact CB-CD1 3.89Å; V1560-I1592 HydrophobicContact CG2-CD1 3.66Å |
| 1561 | N | 93.4 | Very high | 92.1 | Very high | 39 Ų | 39 | 31.1 Ų | 31.1 | 21% | 0.209 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 1.4 | -177.2 | -61.1 | -22.2 | 0 | 0 | 0 | 112.7 | D1559 Q1563 Q1591 D1593 M1596 | D1559-N1561 VanDerWaalsContact C-N 3.28Å; D1559-N1561 PolarHBondContact O-N 2.86Å; D1559-N1561 PolarHBondContact OD1-N 2.98Å; N1561-Q1563 PolarHBondContact O-N 3.16Å; N1561-Q1591 PolarHBondContact ND2-O 3.48Å; N1561-D1593 PolarHBondContact OD1-N 2.69Å; N1561-M1596 HydrophobicContact CB-SD 3.88Å |
| 1562 | L | 92.6 | Very high | 92.1 | Very high | 28 Ų | 28 | 29.2 Ų | 29.2 | 15% | 0.147 | 16% | 0.163 | C | C | . | . | trans | -57.6 | 139.7 | 166.7 | -67.2 | 172.3 | 0 | 0 | 0 | 109.2 | N1505 T1536 M1539 D1559 T1569 | N1505-L1562 HydrophobicContact CB-CD1 3.9Å; T1536-L1562 HydrophobicContact CG2-CB 4.16Å; T1536-L1562 HydrophobicContact CG2-CD1 3.84Å; M1539-L1562 HydrophobicContact CE-CB 4.2Å; M1539-L1562 WeakPolarHBondContact CE-O 3.49Å; D1559-L1562 HydrophobicContact CB-CD1 3.88Å; D1559-L1562 HydrophobicContact CB-CG 3.77Å; L1562-T1569 WeakPolarHBondContact O-CA 3.36Å | ||
| 1563 | Q | 91.4 | Very high | 92.2 | Very high | 58 Ų | 58 | 29.1 Ų | 29.1 | 27% | 0.271 | 16% | 0.162 | S | C | . | . | trans | -106.2 | 143.8 | 173.7 | -65.1 | -176.1 | -75.2 | 0 | 0 | 110.1 | R1507 N1561 G1567 S1568 T1569 M1596 V1597 | R1507-Q1563 PolarHBondContact NE-O 2.93Å; R1507-Q1563 PolarHBondContact NH1-O 3.07Å; R1507-Q1563 PolarHBondContact NH2-O 3.17Å; N1561-Q1563 PolarHBondContact O-N 3.16Å; Q1563-G1567 WeakPolarHBondContact CG-O 3.24Å; Q1563-G1567 PolarHBondContact NE2-O 2.93Å; Q1563-S1568 CarbonylContact C-O 3.42Å; Q1563-S1568 VanDerWaalsContact CA-O 3.31Å; Q1563-S1568 WeakPolarHBondContact CA-O 3.3Å; Q1563-T1569 HydrophobicContact CG-CG2 3.84Å; Q1563-M1596 HydrophobicContact CG-CE 3.72Å; Q1563-V1597 PolarHBondContact NE2-O 3.34Å | ||
| 1564 | D | 89.4 | Confident | 92.2 | Very high | 7 Ų | 7 | 29.1 Ų | 29.1 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | trans | -79.1 | -167.5 | 171.7 | 68.8 | 11.4 | 0 | 0 | 0 | 112.6 | Q1535 M1539 D1566 G1567 S1568 | Q1535-D1564 HydrophobicContact CG-CB 3.89Å; Q1535-D1564 WeakPolarHBondContact CG-OD2 3.32Å; M1539-D1564 HydrophobicContact CE-CB 4.38Å; M1539-D1564 HydrophobicContact SD-CB 4Å; D1564-D1566 PolarHBondContact O-N 2.87Å; D1564-D1566 WeakPolarHBondContact OD1-CA 3.35Å; D1564-D1566 PolarHBondContact OD1-N 3.21Å; D1564-G1567 PolarHBondContact O-N 2.96Å; D1564-G1567 PolarHBondContact OD1-N 2.98Å; D1564-S1568 PolarHBondContact N-O 3.41Å; D1564-S1568 WeakPolarHBondContact OD1-CB 3.41Å; D1564-S1568 PolarHBondContact OD1-N 2.95Å; D1564-S1568 PolarHBondContact OD1-OG 3.02Å | ||
| 1565 | E | 86.5 | Confident | 92.2 | Very high | 72 Ų | 72 | 27.5 Ų | 27.5 | 34% | 0.336 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -8.5 | 178 | -69.3 | 177.9 | -156.4 | 0 | 0 | 114 | Q1510 H1533 Q1599 | Q1510-E1565 VanDerWaalsContact CG-OE2 3.29Å; Q1510-E1565 WeakPolarHBondContact CG-OE2 3.46Å; Q1510-E1565 PolarHBondContact NE2-OE2 2.82Å; H1533-E1565 HydrophobicContact CB-CB 4.16Å; H1533-E1565 VanDerWaalsContact CB-CD 3.45Å; H1533-E1565 HydrophobicContact CB-CG 4.2Å; H1533-E1565 WeakPolarHBondContact CB-OE2 3.49Å; H1533-E1565 WeakPolarHBondContact O-CB 3.47Å; H1533-E1565 PolarHBondContact O-N 3.36Å; E1565-Q1599 PolarHBondContact O-NE2 3.39Å |
| 1566 | D | 85.8 | Confident | 92.2 | Very high | 67 Ų | 67 | 25.1 Ų | 25.1 | 36% | 0.358 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -5 | 169.1 | -65.1 | -36.1 | 0 | 0 | 0 | 111.6 | Q1532 D1564 Q1599 | Q1532-D1566 VanDerWaalsContact CG-OD2 3.26Å; Q1532-D1566 WeakPolarHBondContact CG-OD2 3.24Å; Q1532-D1566 PolarHBondContact NE2-OD2 2.98Å; D1564-D1566 PolarHBondContact O-N 2.87Å; D1564-D1566 WeakPolarHBondContact OD1-CA 3.35Å; D1564-D1566 PolarHBondContact OD1-N 3.21Å; D1566-Q1599 VanDerWaalsContact O-CB 3.28Å; D1566-Q1599 WeakPolarHBondContact O-CB 3.39Å; D1566-Q1599 WeakPolarHBondContact O-CG 3.24Å; D1566-Q1599 PolarHBondContact O-N 3.24Å |
| 1567 | G | 90.3 | Very high | 92.1 | Very high | 5 Ų | 5 | 26 Ų | 26 | 5% | 0.052 | 15% | 0.146 | C | C | . | . | trans | 93.2 | 3.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q1563 D1564 | Q1563-G1567 WeakPolarHBondContact CG-O 3.24Å; Q1563-G1567 PolarHBondContact NE2-O 2.93Å; D1564-G1567 PolarHBondContact O-N 2.96Å; D1564-G1567 PolarHBondContact OD1-N 2.98Å | ||
| 1568 | S | 92.7 | Very high | 92.2 | Very high | 16 Ų | 16 | 24.7 Ų | 24.7 | 11% | 0.112 | 13% | 0.132 | C | C | . | . | trans | -76.6 | 133.5 | -172.8 | -48.6 | 0 | 0 | 0 | 0 | 112 | M1539 Q1563 D1564 | M1539-S1568 VanDerWaalsContact CE-O 3.27Å; M1539-S1568 WeakPolarHBondContact CE-O 3.29Å; Q1563-S1568 CarbonylContact C-O 3.42Å; Q1563-S1568 VanDerWaalsContact CA-O 3.31Å; Q1563-S1568 WeakPolarHBondContact CA-O 3.3Å; D1564-S1568 PolarHBondContact N-O 3.41Å; D1564-S1568 WeakPolarHBondContact OD1-CB 3.41Å; D1564-S1568 PolarHBondContact OD1-N 2.95Å; D1564-S1568 PolarHBondContact OD1-OG 3.02Å | ||
| 1569 | T | 94 | Very high | 92.3 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | trans | -93.6 | 167.4 | 170.7 | 69.3 | 0 | 0 | 0 | 0 | 111.9 | L1562 Q1563 L1571 M1572 C1573 M1596 | L1562-T1569 WeakPolarHBondContact O-CA 3.36Å; Q1563-T1569 HydrophobicContact CG-CG2 3.84Å; T1569-L1571 PolarHBondContact O-N 3.33Å; T1569-M1572 HydrophobicContact CG2-CE 4.38Å; T1569-M1572 HydrophobicContact CG2-SD 4.16Å; T1569-M1572 PolarHBondContact N-SD 3.49Å; T1569-M1572 WeakPolarHBondContact O-CB 3.34Å; T1569-M1572 PolarHBondContact O-N 2.95Å; T1569-M1572 WeakPolarHBondContact OG1-CG 3.42Å; T1569-M1572 PolarHBondContact OG1-N 3.1Å; T1569-C1573 PolarHBondContact O-N 2.85Å; T1569-C1573 PolarHBondContact O-SG 3.3Å; T1569-C1573 VanDerWaalsContact O-SG 3.34Å; T1569-M1596 HydrophobicContact CG2-CB 4.22Å; T1569-M1596 HydrophobicContact CG2-CE 4.38Å; T1569-M1596 HydrophobicContact CG2-SD 3.69Å | ||
| 1570 | A | 94.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.5 | -32.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1538 M1539 A1574 L1586 | I1538-A1570 HydrophobicContact CG1-CB 4.17Å; I1538-A1570 HydrophobicContact CG2-CB 4.26Å; M1539-A1570 HydrophobicContact CG-CB 4.32Å; A1570-A1574 WeakPolarHBondContact O-CB 3.48Å; A1570-A1574 PolarHBondContact O-N 3.35Å; A1570-L1586 HydrophobicContact CB-CD1 4.36Å |
| 1571 | L | 96.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.3 | -39.2 | 174.7 | -176.5 | 68.2 | 0 | 0 | 0 | 112 | T1569 A1574 A1575 V1583 L1586 L1587 I1592 A1594 A1604 | T1569-L1571 PolarHBondContact O-N 3.33Å; L1571-A1574 PolarHBondContact O-N 2.96Å; L1571-A1575 WeakPolarHBondContact O-CB 3.43Å; L1571-A1575 PolarHBondContact O-N 3.37Å; L1571-V1583 HydrophobicContact CD1-CB 4.48Å; L1571-V1583 HydrophobicContact CD1-CG1 3.99Å; L1571-V1583 HydrophobicContact CD1-CG2 4.43Å; L1571-L1586 HydrophobicContact CB-CD1 4.35Å; L1571-L1586 HydrophobicContact CD1-CB 4.07Å; L1571-L1586 HydrophobicContact CD1-CD1 4.34Å; L1571-L1587 HydrophobicContact CD1-CD2 4.06Å; L1571-L1587 HydrophobicContact CD1-CG 4.11Å; L1571-L1587 HydrophobicContact CD2-CD2 3.98Å; L1571-I1592 HydrophobicContact CB-CD1 4.41Å; L1571-I1592 HydrophobicContact CD2-CG1 4.29Å; L1571-A1594 HydrophobicContact CD2-CB 3.76Å; L1571-A1604 HydrophobicContact CD2-CB 3.92Å; L1571-A1604 HydrophobicContact CG-CB 3.85Å |
| 1572 | M | 94.7 | Very high | 92.4 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.5 | -48 | 175 | -66.2 | 167 | 175.5 | 0 | 0 | 111 | T1569 A1574 A1575 E1576 M1596 D1598 A1604 I1607 | T1569-M1572 HydrophobicContact CG2-CE 4.38Å; T1569-M1572 HydrophobicContact CG2-SD 4.16Å; T1569-M1572 PolarHBondContact N-SD 3.49Å; T1569-M1572 WeakPolarHBondContact O-CB 3.34Å; T1569-M1572 PolarHBondContact O-N 2.95Å; T1569-M1572 WeakPolarHBondContact OG1-CG 3.42Å; T1569-M1572 PolarHBondContact OG1-N 3.1Å; M1572-A1574 VanDerWaalsContact C-N 3.31Å; M1572-A1574 PolarHBondContact O-N 3.41Å; M1572-A1575 PolarHBondContact O-N 2.91Å; M1572-A1575 VanDerWaalsContact O-N 3.1Å; M1572-E1576 WeakPolarHBondContact O-CB 3.47Å; M1572-E1576 PolarHBondContact O-N 3.08Å; M1572-M1596 VanDerWaalsContact CE-C 3.43Å; M1572-M1596 HydrophobicContact CE-CB 4.1Å; M1572-M1596 WeakPolarHBondContact CE-O 3.23Å; M1572-D1598 HydrophobicContact SD-CB 4.27Å; M1572-A1604 HydrophobicContact CG-CB 3.93Å; M1572-I1607 HydrophobicContact CB-CD1 3.7Å; M1572-I1607 HydrophobicContact CG-CD1 3.81Å; M1572-I1607 HydrophobicContact SD-CD1 4.42Å |
| 1573 | C | 93.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.007 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.7 | -40.5 | 176.4 | -59.9 | 0 | 0 | 0 | 0 | 112.5 | A1542 T1569 H1577 | A1542-C1573 HydrophobicContact CB-CB 4.45Å; T1569-C1573 PolarHBondContact O-N 2.85Å; T1569-C1573 PolarHBondContact O-SG 3.3Å; T1569-C1573 VanDerWaalsContact O-SG 3.34Å; C1573-H1577 WeakPolarHBondContact O-CB 3.45Å; C1573-H1577 PolarHBondContact O-N 3.19Å; C1573-H1577 VanDerWaalsContact O-N 3.14Å; C1573-H1577 PolarHBondContact O-ND1 3.49Å |
| 1574 | A | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67 | -37.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1542 A1570 L1571 M1572 G1578 H1579 I1582 V1583 L1586 | A1542-A1574 HydrophobicContact CB-CB 4.24Å; A1570-A1574 WeakPolarHBondContact O-CB 3.48Å; A1570-A1574 PolarHBondContact O-N 3.35Å; L1571-A1574 PolarHBondContact O-N 2.96Å; M1572-A1574 VanDerWaalsContact C-N 3.31Å; M1572-A1574 PolarHBondContact O-N 3.41Å; A1574-G1578 PolarHBondContact O-N 2.71Å; A1574-G1578 VanDerWaalsContact O-N 3.13Å; A1574-H1579 PolarHBondContact O-N 3.42Å; A1574-I1582 HydrophobicContact CB-CB 4.37Å; A1574-I1582 HydrophobicContact CB-CG2 3.82Å; A1574-V1583 HydrophobicContact CB-CG2 3.65Å; A1574-L1586 HydrophobicContact CB-CD1 4.35Å |
| 1575 | A | 93.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -71.9 | -38.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | L1571 M1572 A1604 I1607 A1608 Y1613 I1616 I1620 | L1571-A1575 WeakPolarHBondContact O-CB 3.43Å; L1571-A1575 PolarHBondContact O-N 3.37Å; M1572-A1575 PolarHBondContact O-N 2.91Å; M1572-A1575 VanDerWaalsContact O-N 3.1Å; A1575-A1604 HydrophobicContact CB-CB 4.49Å; A1575-I1607 HydrophobicContact CB-CG2 4.42Å; A1575-A1608 HydrophobicContact CB-CB 4.23Å; A1575-Y1613 WeakPolarHBondContact O-CD2 3.38Å; A1575-Y1613 WeakPolarHBondContact O-CE2 3.32Å; A1575-I1616 HydrophobicContact CB-CG2 4.08Å; A1575-I1620 HydrophobicContact CB-CD1 4.21Å |
| 1576 | E | 92.3 | Very high | 93.2 | Very high | 66 Ų | 66 | 28.9 Ų | 28.9 | 31% | 0.308 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -64.5 | -42.2 | 174.8 | -172 | -154.6 | 176.4 | 0 | 0 | 112 | M1572 I1607 Y1613 | M1572-E1576 WeakPolarHBondContact O-CB 3.47Å; M1572-E1576 PolarHBondContact O-N 3.08Å; E1576-I1607 HydrophobicContact CB-CG2 3.63Å; E1576-I1607 HydrophobicContact CG-CG2 4.25Å; E1576-Y1613 VanDerWaalsContact O-CE2 3.27Å; E1576-Y1613 WeakPolarHBondContact O-CE2 3.41Å |
| 1577 | H | 91.1 | Very high | 93.6 | Very high | 57 Ų | 57 | 26.4 Ų | 26.4 | 26% | 0.264 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 2.7 | -176.3 | -72.9 | 68.9 | 0 | 0 | 0 | 113.7 | S1543 C1573 H1579 | S1543-H1577 WeakPolarHBondContact O-CB 3.39Å; S1543-H1577 PolarHBondContact O-CD2 2.83Å; S1543-H1577 VanDerWaalsContact O-CD2 3.26Å; C1573-H1577 WeakPolarHBondContact O-CB 3.45Å; C1573-H1577 PolarHBondContact O-N 3.19Å; C1573-H1577 VanDerWaalsContact O-N 3.14Å; C1573-H1577 PolarHBondContact O-ND1 3.49Å; H1577-H1579 VanDerWaalsContact CB-CD2 3.45Å; H1577-H1579 WeakPolarHBondContact CB-CD2 3.5Å; H1577-H1579 WeakPolarHBondContact CB-NE2 3.48Å |
| 1578 | G | 92.1 | Very high | 93.7 | Very high | 22 Ų | 22 | 31.4 Ų | 31.4 | 23% | 0.227 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 16.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116 | A1574 K1580 Y1613 I1616 | A1574-G1578 PolarHBondContact O-N 2.71Å; A1574-G1578 VanDerWaalsContact O-N 3.13Å; G1578-K1580 VanDerWaalsContact C-N 3.33Å; G1578-K1580 PolarHBondContact O-N 3.23Å; G1578-Y1613 VanDerWaalsContact CA-CZ 3.47Å; G1578-I1616 VanDerWaalsContact C-CD1 3.43Å |
| 1579 | H | 93.5 | Very high | 93.6 | Very high | 53 Ų | 53 | 31.9 Ų | 31.9 | 25% | 0.245 | 16% | 0.156 | C | C | . | . | trans | -84.3 | 70 | -171.8 | -63.3 | -61.1 | 0 | 0 | 0 | 113.1 | A1542 S1543 G1545 A1574 H1577 E1581 I1582 V1583 | A1542-H1579 PolarHBondContact O-CD2 3.27Å; S1543-H1579 PolarHBondContact O-CD2 3.19Å; S1543-H1579 PolarHBondContact O-NE2 2.98Å; G1545-H1579 WeakPolarHBondContact CA-CE1 3.38Å; G1545-H1579 WeakPolarHBondContact CA-ND1 3.09Å; G1545-H1579 PolarHBondContact N-NE2 3.42Å; A1574-H1579 PolarHBondContact O-N 3.42Å; H1577-H1579 VanDerWaalsContact CB-CD2 3.45Å; H1577-H1579 WeakPolarHBondContact CB-CD2 3.5Å; H1577-H1579 WeakPolarHBondContact CB-NE2 3.48Å; H1579-E1581 VanDerWaalsContact C-N 3.31Å; H1579-E1581 PolarHBondContact O-N 3.3Å; H1579-E1581 VanDerWaalsContact O-N 3.16Å; H1579-I1582 HydrophobicContact CB-CB 4.07Å; H1579-I1582 HydrophobicContact CB-CD1 4.05Å; H1579-I1582 HydrophobicContact CB-CG1 4.31Å; H1579-I1582 WeakPolarHBondContact O-CA 3.46Å; H1579-I1582 WeakPolarHBondContact O-CB 3.17Å; H1579-I1582 PolarHBondContact O-N 3.27Å; H1579-V1583 PolarHBondContact O-N 3.01Å | ||
| 1580 | K | 93 | Very high | 93.2 | Very high | 61 Ų | 61 | 38.1 Ų | 38.1 | 27% | 0.265 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -46 | -44.3 | -176.7 | -175.4 | -175.2 | -171.9 | 165.4 | 0 | 115.7 | G1578 V1583 R1584 D1615 I1616 L1619 | G1578-K1580 VanDerWaalsContact C-N 3.33Å; G1578-K1580 PolarHBondContact O-N 3.23Å; K1580-V1583 PolarHBondContact O-N 2.8Å; K1580-R1584 WeakPolarHBondContact O-CG 3.44Å; K1580-R1584 PolarHBondContact O-N 3.45Å; K1580-D1615 WeakPolarHBondContact CD-OD2 3.46Å; K1580-D1615 WeakPolarHBondContact CE-OD2 3.47Å; K1580-D1615 IonicContact NZ-OD2 2.7Å; K1580-D1615 PolarHBondContact NZ-OD2 3.4Å; K1580-I1616 HydrophobicContact CB-CD1 4.2Å; K1580-I1616 HydrophobicContact CB-CG1 4.03Å; K1580-I1616 HydrophobicContact CG-CG1 4.3Å; K1580-L1619 HydrophobicContact CG-CD1 3.95Å |
| 1581 | E | 93.4 | Very high | 92.9 | Very high | 99 Ų | 99 | 42.8 Ų | 42.8 | 46% | 0.463 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -72.9 | -31.4 | -177.5 | -52.5 | -50.6 | 141.6 | 0 | 0 | 112.1 | M1547 H1579 R1584 L1585 | M1547-E1581 HydrophobicContact SD-CB 4.22Å; H1579-E1581 VanDerWaalsContact C-N 3.31Å; H1579-E1581 PolarHBondContact O-N 3.3Å; H1579-E1581 VanDerWaalsContact O-N 3.16Å; E1581-R1584 PolarHBondContact O-N 3.46Å; E1581-R1584 IonicContact OE1-CZ 3.18Å; E1581-R1584 IonicContact OE1-NH1 2.73Å; E1581-R1584 PolarHBondContact OE1-NH1 3.49Å; E1581-R1584 VanDerWaalsContact OE2-CD 3.25Å; E1581-R1584 WeakPolarHBondContact OE2-CD 3.05Å; E1581-R1584 IonicContact OE2-CZ 3.61Å; E1581-R1584 IonicContact OE2-NE 3.99Å; E1581-R1584 IonicContact OE2-NH1 2.71Å; E1581-R1584 PolarHBondContact OE2-NH1 2.82Å; E1581-L1585 PolarHBondContact O-N 2.94Å |
| 1582 | I | 94.9 | Very high | 92.8 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.8 | -41.5 | 170.4 | -66.2 | 177.1 | 0 | 0 | 0 | 110.1 | A1542 M1547 V1550 A1574 H1579 R1584 L1585 L1586 | A1542-I1582 HydrophobicContact CB-CG2 4.18Å; M1547-I1582 HydrophobicContact CE-CG1 3.87Å; M1547-I1582 HydrophobicContact SD-CG1 3.71Å; V1550-I1582 HydrophobicContact CG1-CG2 4.29Å; V1550-I1582 HydrophobicContact CG2-CD1 4.04Å; V1550-I1582 HydrophobicContact CG2-CG1 4.44Å; V1550-I1582 HydrophobicContact CG2-CG2 4.15Å; A1574-I1582 HydrophobicContact CB-CB 4.37Å; A1574-I1582 HydrophobicContact CB-CG2 3.82Å; H1579-I1582 HydrophobicContact CB-CB 4.07Å; H1579-I1582 HydrophobicContact CB-CD1 4.05Å; H1579-I1582 HydrophobicContact CB-CG1 4.31Å; H1579-I1582 WeakPolarHBondContact O-CA 3.46Å; H1579-I1582 WeakPolarHBondContact O-CB 3.17Å; H1579-I1582 PolarHBondContact O-N 3.27Å; I1582-R1584 VanDerWaalsContact C-N 3.33Å; I1582-R1584 PolarHBondContact O-N 2.9Å; I1582-L1585 PolarHBondContact O-N 3.28Å; I1582-L1586 HydrophobicContact CG2-CD1 3.85Å; I1582-L1586 HydrophobicContact CG2-CG 4.25Å; I1582-L1586 WeakPolarHBondContact O-CB 3.17Å; I1582-L1586 VanDerWaalsContact O-CG 3.3Å; I1582-L1586 WeakPolarHBondContact O-CG 3.25Å; I1582-L1586 PolarHBondContact O-N 3.44Å |
| 1583 | V | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.9 | -44.3 | 174 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | L1571 A1574 H1579 K1580 L1586 L1587 I1616 I1620 | L1571-V1583 HydrophobicContact CD1-CB 4.48Å; L1571-V1583 HydrophobicContact CD1-CG1 3.99Å; L1571-V1583 HydrophobicContact CD1-CG2 4.43Å; A1574-V1583 HydrophobicContact CB-CG2 3.65Å; H1579-V1583 PolarHBondContact O-N 3.01Å; K1580-V1583 PolarHBondContact O-N 2.8Å; V1583-L1586 PolarHBondContact O-N 3.39Å; V1583-L1587 HydrophobicContact CG1-CD1 3.68Å; V1583-L1587 HydrophobicContact CG1-CG 4.17Å; V1583-L1587 WeakPolarHBondContact O-CB 3.49Å; V1583-L1587 VanDerWaalsContact O-CG 3.23Å; V1583-L1587 WeakPolarHBondContact O-CG 3.29Å; V1583-L1587 PolarHBondContact O-N 3.06Å; V1583-I1616 HydrophobicContact CB-CG2 4.49Å; V1583-I1616 HydrophobicContact CG1-CG2 4.17Å; V1583-I1616 HydrophobicContact CG2-CD1 4.45Å; V1583-I1616 HydrophobicContact CG2-CG2 4.01Å; V1583-I1620 HydrophobicContact CG1-CD1 4.33Å; V1583-I1620 HydrophobicContact CG1-CG1 4Å |
| 1584 | R | 94.2 | Very high | 92.5 | Very high | 98 Ų | 98 | 46.6 Ų | 46.6 | 37% | 0.37 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56.5 | -55.8 | 173.5 | -75.8 | 168.4 | 166.1 | 172.4 | -7.7 | 111.4 | K1580 E1581 I1582 L1586 L1587 D1588 L1619 | K1580-R1584 WeakPolarHBondContact O-CG 3.44Å; K1580-R1584 PolarHBondContact O-N 3.45Å; E1581-R1584 PolarHBondContact O-N 3.46Å; E1581-R1584 IonicContact OE1-CZ 3.18Å; E1581-R1584 IonicContact OE1-NH1 2.73Å; E1581-R1584 PolarHBondContact OE1-NH1 3.49Å; E1581-R1584 VanDerWaalsContact OE2-CD 3.25Å; E1581-R1584 WeakPolarHBondContact OE2-CD 3.05Å; E1581-R1584 IonicContact OE2-CZ 3.61Å; E1581-R1584 IonicContact OE2-NE 3.99Å; E1581-R1584 IonicContact OE2-NH1 2.71Å; E1581-R1584 PolarHBondContact OE2-NH1 2.82Å; I1582-R1584 VanDerWaalsContact C-N 3.33Å; I1582-R1584 PolarHBondContact O-N 2.9Å; R1584-L1586 PolarHBondContact O-N 3.24Å; R1584-L1587 CarbonylContact O-C 3.59Å; R1584-L1587 PolarHBondContact O-N 3.45Å; R1584-D1588 PolarHBondContact O-N 2.9Å; R1584-L1619 HydrophobicContact CG-CD1 3.92Å; R1584-L1619 HydrophobicContact CG-CD2 4.36Å |
| 1585 | L | 93.6 | Very high | 92.2 | Very high | 51 Ų | 51 | 50.2 Ų | 50.2 | 27% | 0.267 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.8 | -29.2 | -176.8 | -174.5 | 134.5 | 0 | 0 | 0 | 113.1 | M1547 V1550 I1554 E1581 I1582 L1589 | M1547-L1585 HydrophobicContact CE-CB 3.88Å; M1547-L1585 HydrophobicContact CE-CD1 3.75Å; M1547-L1585 HydrophobicContact CE-CD2 3.85Å; M1547-L1585 HydrophobicContact CE-CG 4.03Å; V1550-L1585 HydrophobicContact CG1-CD2 4.04Å; I1554-L1585 HydrophobicContact CD1-CD2 3.38Å; E1581-L1585 PolarHBondContact O-N 2.94Å; I1582-L1585 PolarHBondContact O-N 3.28Å; L1585-L1589 WeakPolarHBondContact O-CG 3.34Å |
| 1586 | L | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -74.1 | -40.6 | 171.5 | -70.6 | 173.1 | 0 | 0 | 0 | 112.5 | V1550 I1554 V1560 A1570 L1571 A1574 I1582 V1583 R1584 D1588 L1589 I1592 | V1550-L1586 HydrophobicContact CG1-CD2 4.46Å; I1554-L1586 HydrophobicContact CD1-CD2 4.18Å; V1560-L1586 HydrophobicContact CB-CD2 4.27Å; V1560-L1586 HydrophobicContact CG1-CD2 3.61Å; A1570-L1586 HydrophobicContact CB-CD1 4.36Å; L1571-L1586 HydrophobicContact CB-CD1 4.35Å; L1571-L1586 HydrophobicContact CD1-CB 4.07Å; L1571-L1586 HydrophobicContact CD1-CD1 4.34Å; A1574-L1586 HydrophobicContact CB-CD1 4.35Å; I1582-L1586 HydrophobicContact CG2-CD1 3.85Å; I1582-L1586 HydrophobicContact CG2-CG 4.25Å; I1582-L1586 WeakPolarHBondContact O-CB 3.17Å; I1582-L1586 VanDerWaalsContact O-CG 3.3Å; I1582-L1586 WeakPolarHBondContact O-CG 3.25Å; I1582-L1586 PolarHBondContact O-N 3.44Å; V1583-L1586 PolarHBondContact O-N 3.39Å; R1584-L1586 PolarHBondContact O-N 3.24Å; L1586-D1588 VanDerWaalsContact C-N 3.3Å; L1586-D1588 PolarHBondContact O-N 3Å; L1586-L1589 HydrophobicContact CD2-CD1 4.15Å; L1586-L1589 WeakPolarHBondContact O-CB 3.23Å; L1586-L1589 WeakPolarHBondContact O-CG 3.33Å; L1586-L1589 PolarHBondContact O-N 3.36Å; L1586-I1592 HydrophobicContact CB-CD1 4.32Å; L1586-I1592 WeakPolarHBondContact O-CB 3.5Å; L1586-I1592 WeakPolarHBondContact O-CG1 3.32Å |
| 1587 | L | 93.3 | Very high | 92.1 | Very high | 16 Ų | 16 | 52.2 Ų | 52.2 | 8% | 0.084 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -72.6 | -19.8 | 176.8 | -68 | 176.1 | 0 | 0 | 0 | 113.5 | L1571 V1583 R1584 L1589 A1594 L1619 I1620 H1623 | L1571-L1587 HydrophobicContact CD1-CD2 4.06Å; L1571-L1587 HydrophobicContact CD1-CG 4.11Å; L1571-L1587 HydrophobicContact CD2-CD2 3.98Å; V1583-L1587 HydrophobicContact CG1-CD1 3.68Å; V1583-L1587 HydrophobicContact CG1-CG 4.17Å; V1583-L1587 WeakPolarHBondContact O-CB 3.49Å; V1583-L1587 VanDerWaalsContact O-CG 3.23Å; V1583-L1587 WeakPolarHBondContact O-CG 3.29Å; V1583-L1587 PolarHBondContact O-N 3.06Å; R1584-L1587 CarbonylContact O-C 3.59Å; R1584-L1587 PolarHBondContact O-N 3.45Å; L1587-L1589 VanDerWaalsContact C-N 3.25Å; L1587-A1594 HydrophobicContact CD2-CB 4Å; L1587-L1619 HydrophobicContact CD1-CB 4.26Å; L1587-I1620 HydrophobicContact CD1-CG1 3.97Å; L1587-H1623 HydrophobicContact CD1-CB 4.37Å; L1587-H1623 HydrophobicContact CD2-CB 4.22Å; L1587-H1623 PolarHBondContact O-CE1 3.38Å; L1587-H1623 PolarHBondContact O-ND1 2.88Å |
| 1588 | D | 92 | Very high | 92.1 | Very high | 110 Ų | 110 | 50.6 Ų | 50.6 | 59% | 0.588 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -7.6 | 172.4 | -73.6 | -38.7 | 0 | 0 | 0 | 112.8 | R1584 L1586 | R1584-D1588 PolarHBondContact O-N 2.9Å; L1586-D1588 VanDerWaalsContact C-N 3.3Å; L1586-D1588 PolarHBondContact O-N 3Å |
| 1589 | L | 91.2 | Very high | 91.9 | Very high | 26 Ų | 26 | 56.4 Ų | 56.4 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -82.8 | 129.9 | 177.3 | -54.7 | 178 | 0 | 0 | 0 | 111.4 | I1554 V1560 L1585 L1586 L1587 Q1591 I1592 | I1554-L1589 HydrophobicContact CD1-CD1 3.93Å; I1554-L1589 HydrophobicContact CG1-CD1 4.25Å; I1554-L1589 HydrophobicContact CG2-CD1 4.24Å; I1554-L1589 HydrophobicContact CG2-CD2 3.92Å; V1560-L1589 HydrophobicContact CG1-CD1 3.73Å; V1560-L1589 HydrophobicContact CG2-CD1 4.26Å; L1585-L1589 WeakPolarHBondContact O-CG 3.34Å; L1586-L1589 HydrophobicContact CD2-CD1 4.15Å; L1586-L1589 WeakPolarHBondContact O-CB 3.23Å; L1586-L1589 WeakPolarHBondContact O-CG 3.33Å; L1586-L1589 PolarHBondContact O-N 3.36Å; L1587-L1589 VanDerWaalsContact C-N 3.25Å; L1589-Q1591 PolarHBondContact O-N 3.15Å; L1589-Q1591 VanDerWaalsContact O-N 3.13Å; L1589-I1592 HydrophobicContact CB-CB 4.47Å; L1589-I1592 VanDerWaalsContact O-CG2 3.23Å; L1589-I1592 WeakPolarHBondContact O-CG2 3.33Å; L1589-I1592 PolarHBondContact O-N 2.91Å |
| 1590 | P | 86.8 | Confident | 91.5 | Very high | 133 Ų | 133 | 62.7 Ų | 62.7 | 86% | 0.864 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -11 | -177.9 | 29.9 | -36.9 | 0 | 0 | 0 | 114.5 | ||
| 1591 | Q | 88.1 | Confident | 91.3 | Very high | 98 Ų | 98 | 62.2 Ų | 62.2 | 46% | 0.458 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 2 | 178.9 | 74 | -82.2 | 9.2 | 0 | 0 | 114.7 | V1560 N1561 L1589 | V1560-Q1591 HydrophobicContact CG2-CG 4.32Å; N1561-Q1591 PolarHBondContact ND2-O 3.48Å; L1589-Q1591 PolarHBondContact O-N 3.15Å; L1589-Q1591 VanDerWaalsContact O-N 3.13Å |
| 1592 | I | 92.4 | Very high | 91.2 | Very high | 19 Ų | 19 | 58.3 Ų | 58.3 | 10% | 0.097 | 32% | 0.319 | C | S | . | . | trans | -69.1 | 137 | -178.6 | -165 | 67 | 0 | 0 | 0 | 111.3 | V1560 L1571 L1586 L1589 | V1560-I1592 HydrophobicContact CB-CD1 3.89Å; V1560-I1592 HydrophobicContact CG2-CD1 3.66Å; L1571-I1592 HydrophobicContact CB-CD1 4.41Å; L1571-I1592 HydrophobicContact CD2-CG1 4.29Å; L1586-I1592 HydrophobicContact CB-CD1 4.32Å; L1586-I1592 WeakPolarHBondContact O-CB 3.5Å; L1586-I1592 WeakPolarHBondContact O-CG1 3.32Å; L1589-I1592 HydrophobicContact CB-CB 4.47Å; L1589-I1592 VanDerWaalsContact O-CG2 3.23Å; L1589-I1592 WeakPolarHBondContact O-CG2 3.33Å; L1589-I1592 PolarHBondContact O-N 2.91Å | ||
| 1593 | D | 91.1 | Very high | 91.2 | Very high | 62 Ų | 62 | 60 Ų | 60 | 33% | 0.332 | 33% | 0.329 | S | S | . | . | trans | -108.8 | 93.5 | 168.4 | -172.7 | -9.9 | 0 | 0 | 0 | 110 | N1561 S1595 M1596 | N1561-D1593 PolarHBondContact OD1-N 2.69Å; D1593-S1595 PolarHBondContact O-N 3.34Å; D1593-S1595 WeakPolarHBondContact OD1-CA 3.17Å; D1593-S1595 VanDerWaalsContact OD1-CB 3.29Å; D1593-S1595 WeakPolarHBondContact OD1-CB 3.43Å; D1593-S1595 PolarHBondContact OD1-N 2.94Å; D1593-S1595 PolarHBondContact OD1-OG 3.29Å; D1593-M1596 HydrophobicContact CB-CG 3.74Å; D1593-M1596 HydrophobicContact CB-SD 4.06Å; D1593-M1596 VanDerWaalsContact CG-CG 3.45Å; D1593-M1596 WeakPolarHBondContact O-CG 3.33Å; D1593-M1596 PolarHBondContact OD1-N 2.95Å; D1593-M1596 WeakPolarHBondContact OD2-CG 3.38Å | ||
| 1594 | A | 90.6 | Very high | 91 | Very high | 5 Ų | 5 | 60 Ų | 60 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -3.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1571 L1587 I1620 L1624 | L1571-A1594 HydrophobicContact CD2-CB 3.76Å; L1587-A1594 HydrophobicContact CD2-CB 4Å; A1594-I1620 HydrophobicContact CB-CG2 4.48Å; A1594-L1624 HydrophobicContact CB-CD2 3.78Å; A1594-L1624 HydrophobicContact CB-CG 4.15Å |
| 1595 | S | 89.2 | Confident | 91 | Very high | 75 Ų | 75 | 57.3 Ų | 57.3 | 52% | 0.524 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -9 | -178.6 | 80 | 0 | 0 | 0 | 0 | 114.2 | D1593 | D1593-S1595 PolarHBondContact O-N 3.34Å; D1593-S1595 WeakPolarHBondContact OD1-CA 3.17Å; D1593-S1595 VanDerWaalsContact OD1-CB 3.29Å; D1593-S1595 WeakPolarHBondContact OD1-CB 3.43Å; D1593-S1595 PolarHBondContact OD1-N 2.94Å; D1593-S1595 PolarHBondContact OD1-OG 3.29Å |
| 1596 | M | 90.8 | Very high | 90.9 | Very high | 38 Ų | 38 | 56.2 Ų | 56.2 | 19% | 0.187 | 32% | 0.32 | C | S | . | . | trans | -57.1 | 152.9 | 177.2 | -59.4 | -171 | 80.4 | 0 | 0 | 112.5 | N1561 Q1563 T1569 M1572 D1593 | N1561-M1596 HydrophobicContact CB-SD 3.88Å; Q1563-M1596 HydrophobicContact CG-CE 3.72Å; T1569-M1596 HydrophobicContact CG2-CB 4.22Å; T1569-M1596 HydrophobicContact CG2-CE 4.38Å; T1569-M1596 HydrophobicContact CG2-SD 3.69Å; M1572-M1596 VanDerWaalsContact CE-C 3.43Å; M1572-M1596 HydrophobicContact CE-CB 4.1Å; M1572-M1596 WeakPolarHBondContact CE-O 3.23Å; D1593-M1596 HydrophobicContact CB-CG 3.74Å; D1593-M1596 HydrophobicContact CB-SD 4.06Å; D1593-M1596 VanDerWaalsContact CG-CG 3.45Å; D1593-M1596 WeakPolarHBondContact O-CG 3.33Å; D1593-M1596 PolarHBondContact OD1-N 2.95Å; D1593-M1596 WeakPolarHBondContact OD2-CG 3.38Å | ||
| 1597 | V | 92.1 | Very high | 90.8 | Very high | 71 Ų | 71 | 57 Ų | 57 | 43% | 0.43 | 32% | 0.324 | S | S | . | . | B | Isolated β-bridge | trans | -123.6 | 144.1 | 176.3 | -70 | 0 | 0 | 0 | 0 | 111.9 | Q1563 S1602 T1603 | Q1563-V1597 PolarHBondContact NE2-O 3.34Å; V1597-S1602 VanDerWaalsContact CA-O 3.27Å; V1597-S1602 WeakPolarHBondContact CA-O 3.45Å; V1597-T1603 HydrophobicContact CG1-CG2 3.58Å |
| 1598 | D | 91.1 | Very high | 90.8 | Very high | 23 Ų | 23 | 56.2 Ų | 56.2 | 12% | 0.123 | 32% | 0.32 | C | S | . | . | trans | -75.3 | -173.6 | 169.9 | 62.8 | 36.1 | 0 | 0 | 0 | 112.5 | M1572 E1600 G1601 S1602 | M1572-D1598 HydrophobicContact SD-CB 4.27Å; D1598-E1600 VanDerWaalsContact C-N 3.35Å; D1598-E1600 WeakPolarHBondContact OD1-CA 3.25Å; D1598-E1600 WeakPolarHBondContact OD1-CB 3.36Å; D1598-E1600 PolarHBondContact OD1-N 3.02Å; D1598-G1601 PolarHBondContact O-N 3.46Å; D1598-G1601 PolarHBondContact OD1-N 2.91Å; D1598-S1602 PolarHBondContact N-O 3.12Å; D1598-S1602 PolarHBondContact OD1-N 3.15Å; D1598-S1602 WeakPolarHBondContact OD2-CB 3.27Å | ||
| 1599 | Q | 88.8 | Confident | 90.8 | Very high | 144 Ų | 144 | 55.4 Ų | 55.4 | 67% | 0.673 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -75.9 | -16.3 | 177.7 | -70.8 | -177.9 | 34.3 | 0 | 0 | 114.9 | E1565 D1566 G1601 | E1565-Q1599 PolarHBondContact O-NE2 3.39Å; D1566-Q1599 VanDerWaalsContact O-CB 3.28Å; D1566-Q1599 WeakPolarHBondContact O-CB 3.39Å; D1566-Q1599 WeakPolarHBondContact O-CG 3.24Å; D1566-Q1599 PolarHBondContact O-N 3.24Å; Q1599-G1601 VanDerWaalsContact C-N 3.25Å |
| 1600 | E | 86.1 | Confident | 90.9 | Very high | 185 Ų | 185 | 60.9 Ų | 60.9 | 86% | 0.864 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -79.8 | -15.3 | 169.4 | -54 | -151.6 | 153.6 | 0 | 0 | 111.2 | D1598 | D1598-E1600 VanDerWaalsContact C-N 3.35Å; D1598-E1600 WeakPolarHBondContact OD1-CA 3.25Å; D1598-E1600 WeakPolarHBondContact OD1-CB 3.36Å; D1598-E1600 PolarHBondContact OD1-N 3.02Å |
| 1601 | G | 88.6 | Confident | 91 | Very high | 50 Ų | 50 | 58.6 Ų | 58.6 | 52% | 0.515 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 94.2 | 11.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1598 Q1599 | D1598-G1601 PolarHBondContact O-N 3.46Å; D1598-G1601 PolarHBondContact OD1-N 2.91Å; Q1599-G1601 VanDerWaalsContact C-N 3.25Å |
| 1602 | S | 91.3 | Very high | 91.1 | Very high | 18 Ų | 18 | 55.9 Ų | 55.9 | 13% | 0.126 | 32% | 0.323 | C | S | . | . | trans | -87 | 139.2 | -177.5 | -95.5 | 0 | 0 | 0 | 0 | 111.6 | V1597 D1598 | V1597-S1602 VanDerWaalsContact CA-O 3.27Å; V1597-S1602 WeakPolarHBondContact CA-O 3.45Å; D1598-S1602 PolarHBondContact N-O 3.12Å; D1598-S1602 PolarHBondContact OD1-N 3.15Å; D1598-S1602 WeakPolarHBondContact OD2-CB 3.27Å | ||
| 1603 | T | 93.3 | Very high | 91.1 | Very high | 38 Ų | 38 | 59 Ų | 59 | 23% | 0.233 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -91.4 | 164.5 | 171.2 | 56 | 0 | 0 | 0 | 0 | 109.9 | V1597 L1605 A1606 I1607 | V1597-T1603 HydrophobicContact CG1-CG2 3.58Å; T1603-L1605 PolarHBondContact O-N 2.91Å; T1603-L1605 VanDerWaalsContact O-N 3.1Å; T1603-A1606 WeakPolarHBondContact O-CA 3.44Å; T1603-A1606 WeakPolarHBondContact O-CB 3.35Å; T1603-A1606 PolarHBondContact O-N 3Å; T1603-A1606 PolarHBondContact OG1-N 3.28Å; T1603-I1607 WeakPolarHBondContact O-CG1 3.4Å; T1603-I1607 PolarHBondContact O-N 2.93Å |
| 1604 | A | 92.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.008 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -54.9 | -29.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113 | L1571 M1572 A1575 A1608 I1620 | L1571-A1604 HydrophobicContact CD2-CB 3.92Å; L1571-A1604 HydrophobicContact CG-CB 3.85Å; M1572-A1604 HydrophobicContact CG-CB 3.93Å; A1575-A1604 HydrophobicContact CB-CB 4.49Å; A1604-A1608 WeakPolarHBondContact O-CB 3.45Å; A1604-A1608 PolarHBondContact O-N 3.02Å; A1604-I1620 HydrophobicContact CB-CD1 4.01Å |
| 1605 | L | 93.9 | Very high | 91.1 | Very high | 41 Ų | 41 | 67.2 Ų | 67.2 | 22% | 0.215 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.7 | -42.5 | 172.3 | 178.2 | 58.3 | 0 | 0 | 0 | 112.5 | T1603 V1609 G1617 I1620 Y1621 L1624 | T1603-L1605 PolarHBondContact O-N 2.91Å; T1603-L1605 VanDerWaalsContact O-N 3.1Å; L1605-V1609 HydrophobicContact CD1-CG2 4.36Å; L1605-V1609 WeakPolarHBondContact O-CG2 3.49Å; L1605-V1609 PolarHBondContact O-N 3.45Å; L1605-V1609 VanDerWaalsContact O-N 3.13Å; L1605-G1617 WeakPolarHBondContact CD1-O 3.31Å; L1605-I1620 HydrophobicContact CB-CG2 3.88Å; L1605-I1620 HydrophobicContact CD1-CB 4.47Å; L1605-Y1621 HydrophobicContact CD2-CD2 4.15Å; L1605-L1624 HydrophobicContact CD2-CD1 4.38Å |
| 1606 | A | 92.2 | Very high | 91.3 | Very high | 27 Ų | 27 | 63.7 Ų | 63.7 | 22% | 0.223 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.2 | -50.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | T1603 A1608 V1609 E1610 | T1603-A1606 WeakPolarHBondContact O-CA 3.44Å; T1603-A1606 WeakPolarHBondContact O-CB 3.35Å; T1603-A1606 PolarHBondContact O-N 3Å; T1603-A1606 PolarHBondContact OG1-N 3.28Å; A1606-A1608 VanDerWaalsContact C-N 3.31Å; A1606-A1608 PolarHBondContact O-N 3.11Å; A1606-V1609 PolarHBondContact O-N 3.19Å; A1606-E1610 WeakPolarHBondContact O-CG 3.48Å; A1606-E1610 PolarHBondContact O-N 2.9Å |
| 1607 | I | 92 | Very high | 91.4 | Very high | 17 Ų | 17 | 62.1 Ų | 62.1 | 9% | 0.087 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.1 | -43 | 178.3 | -64.9 | 169.8 | 0 | 0 | 0 | 111.6 | M1572 A1575 E1576 T1603 V1609 N1611 | M1572-I1607 HydrophobicContact CB-CD1 3.7Å; M1572-I1607 HydrophobicContact CG-CD1 3.81Å; M1572-I1607 HydrophobicContact SD-CD1 4.42Å; A1575-I1607 HydrophobicContact CB-CG2 4.42Å; E1576-I1607 HydrophobicContact CB-CG2 3.63Å; E1576-I1607 HydrophobicContact CG-CG2 4.25Å; T1603-I1607 WeakPolarHBondContact O-CG1 3.4Å; T1603-I1607 PolarHBondContact O-N 2.93Å; I1607-V1609 PolarHBondContact O-N 3.3Å; I1607-N1611 WeakPolarHBondContact O-CB 3.37Å; I1607-N1611 PolarHBondContact O-N 3.37Å; I1607-N1611 PolarHBondContact O-ND2 2.95Å |
| 1608 | A | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64 | -37.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1575 A1604 A1606 G1612 Y1613 I1616 I1620 | A1575-A1608 HydrophobicContact CB-CB 4.23Å; A1604-A1608 WeakPolarHBondContact O-CB 3.45Å; A1604-A1608 PolarHBondContact O-N 3.02Å; A1606-A1608 VanDerWaalsContact C-N 3.31Å; A1606-A1608 PolarHBondContact O-N 3.11Å; A1608-G1612 CarbonylContact O-C 3.47Å; A1608-G1612 PolarHBondContact O-N 3.13Å; A1608-G1612 VanDerWaalsContact O-N 3.16Å; A1608-Y1613 PolarHBondContact O-N 3.45Å; A1608-I1616 HydrophobicContact CB-CB 4.28Å; A1608-I1616 HydrophobicContact CB-CG2 3.71Å; A1608-I1620 HydrophobicContact CB-CD1 4.31Å |
| 1609 | V | 92.1 | Very high | 91.4 | Very high | 93 Ų | 93 | 63 Ų | 63 | 56% | 0.564 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -74.9 | -40.1 | 179.2 | 169.5 | 0 | 0 | 0 | 0 | 111.6 | L1605 A1606 I1607 G1612 | L1605-V1609 HydrophobicContact CD1-CG2 4.36Å; L1605-V1609 WeakPolarHBondContact O-CG2 3.49Å; L1605-V1609 PolarHBondContact O-N 3.45Å; L1605-V1609 VanDerWaalsContact O-N 3.13Å; A1606-V1609 PolarHBondContact O-N 3.19Å; I1607-V1609 PolarHBondContact O-N 3.3Å; V1609-G1612 WeakPolarHBondContact O-CA 3.46Å; V1609-G1612 PolarHBondContact O-N 3.5Å; V1609-G1612 VanDerWaalsContact O-N 3.13Å |
| 1610 | E | 91.3 | Very high | 91.5 | Very high | 141 Ų | 141 | 56.2 Ų | 56.2 | 66% | 0.659 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -68.3 | -42 | -179.8 | -72.3 | 175.5 | 167.8 | 0 | 0 | 112.1 | A1606 G1612 | A1606-E1610 WeakPolarHBondContact O-CG 3.48Å; A1606-E1610 PolarHBondContact O-N 2.9Å; E1610-G1612 PolarHBondContact O-N 2.85Å |
| 1611 | N | 90.4 | Very high | 91.7 | Very high | 84 Ų | 84 | 50.3 Ų | 50.3 | 45% | 0.449 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -7.7 | 171.3 | -68.4 | -72 | 0 | 0 | 0 | 113.3 | I1607 Y1613 | I1607-N1611 WeakPolarHBondContact O-CB 3.37Å; I1607-N1611 PolarHBondContact O-N 3.37Å; I1607-N1611 PolarHBondContact O-ND2 2.95Å; N1611-Y1613 HydrophobicContact CB-CD2 3.67Å; N1611-Y1613 HydrophobicContact CB-CE2 3.45Å; N1611-Y1613 VanDerWaalsContact CB-CE2 3.45Å |
| 1612 | G | 89.6 | Confident | 91.7 | Very high | 42 Ų | 42 | 49 Ų | 49 | 43% | 0.433 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | 10.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | A1608 V1609 E1610 K1614 | A1608-G1612 CarbonylContact O-C 3.47Å; A1608-G1612 PolarHBondContact O-N 3.13Å; A1608-G1612 VanDerWaalsContact O-N 3.16Å; V1609-G1612 WeakPolarHBondContact O-CA 3.46Å; V1609-G1612 PolarHBondContact O-N 3.5Å; V1609-G1612 VanDerWaalsContact O-N 3.13Å; E1610-G1612 PolarHBondContact O-N 2.85Å; G1612-K1614 VanDerWaalsContact C-N 3.28Å; G1612-K1614 PolarHBondContact O-N 3.21Å |
| 1613 | Y | 93.5 | Very high | 91.6 | Very high | 84 Ų | 84 | 49.9 Ų | 49.9 | 33% | 0.329 | 27% | 0.265 | S | S | . | . | trans | -76.6 | 74.3 | 176.6 | -55.5 | -68.1 | 0 | 0 | 0 | 111.5 | A1575 E1576 G1578 A1608 N1611 D1615 I1616 G1617 | A1575-Y1613 WeakPolarHBondContact O-CD2 3.38Å; A1575-Y1613 WeakPolarHBondContact O-CE2 3.32Å; E1576-Y1613 VanDerWaalsContact O-CE2 3.27Å; E1576-Y1613 WeakPolarHBondContact O-CE2 3.41Å; G1578-Y1613 VanDerWaalsContact CA-CZ 3.47Å; A1608-Y1613 PolarHBondContact O-N 3.45Å; N1611-Y1613 HydrophobicContact CB-CD2 3.67Å; N1611-Y1613 HydrophobicContact CB-CE2 3.45Å; N1611-Y1613 VanDerWaalsContact CB-CE2 3.45Å; Y1613-D1615 VanDerWaalsContact C-N 3.26Å; Y1613-D1615 PolarHBondContact O-N 3.04Å; Y1613-I1616 HydrophobicContact CG-CD1 4.19Å; Y1613-I1616 WeakPolarHBondContact O-CB 3.14Å; Y1613-I1616 PolarHBondContact O-N 2.9Å; Y1613-I1616 VanDerWaalsContact O-N 3.14Å; Y1613-G1617 PolarHBondContact O-N 2.83Å | ||
| 1614 | K | 90.6 | Very high | 91.3 | Very high | 171 Ų | 171 | 50 Ų | 50 | 74% | 0.743 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -55.4 | -36.1 | -173.7 | -63.8 | 175 | -173.4 | 175.9 | 0 | 114.1 | G1612 L1618 | G1612-K1614 VanDerWaalsContact C-N 3.28Å; G1612-K1614 PolarHBondContact O-N 3.21Å; K1614-L1618 WeakPolarHBondContact O-CB 3.49Å; K1614-L1618 WeakPolarHBondContact O-CG 3.47Å; K1614-L1618 PolarHBondContact O-N 3.38Å |
| 1615 | D | 90.7 | Very high | 90.8 | Very high | 68 Ų | 68 | 53.3 Ų | 53.3 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -78.5 | -32.6 | -179.3 | 59.4 | -23.6 | 0 | 0 | 0 | 112.9 | K1580 Y1613 L1618 L1619 | K1580-D1615 WeakPolarHBondContact CD-OD2 3.46Å; K1580-D1615 WeakPolarHBondContact CE-OD2 3.47Å; K1580-D1615 IonicContact NZ-OD2 2.7Å; K1580-D1615 PolarHBondContact NZ-OD2 3.4Å; Y1613-D1615 VanDerWaalsContact C-N 3.26Å; Y1613-D1615 PolarHBondContact O-N 3.04Å; D1615-L1618 PolarHBondContact O-N 3.44Å; D1615-L1619 VanDerWaalsContact O-CG 3.31Å; D1615-L1619 WeakPolarHBondContact O-CG 3.36Å; D1615-L1619 PolarHBondContact O-N 3.32Å |
| 1616 | I | 93.3 | Very high | 90 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.6 | -47.8 | 166.6 | -66.4 | -176.8 | 0 | 0 | 0 | 110.3 | A1575 G1578 K1580 V1583 A1608 Y1613 L1618 L1619 I1620 | A1575-I1616 HydrophobicContact CB-CG2 4.08Å; G1578-I1616 VanDerWaalsContact C-CD1 3.43Å; K1580-I1616 HydrophobicContact CB-CD1 4.2Å; K1580-I1616 HydrophobicContact CB-CG1 4.03Å; K1580-I1616 HydrophobicContact CG-CG1 4.3Å; V1583-I1616 HydrophobicContact CB-CG2 4.49Å; V1583-I1616 HydrophobicContact CG1-CG2 4.17Å; V1583-I1616 HydrophobicContact CG2-CD1 4.45Å; V1583-I1616 HydrophobicContact CG2-CG2 4.01Å; A1608-I1616 HydrophobicContact CB-CB 4.28Å; A1608-I1616 HydrophobicContact CB-CG2 3.71Å; Y1613-I1616 HydrophobicContact CG-CD1 4.19Å; Y1613-I1616 WeakPolarHBondContact O-CB 3.14Å; Y1613-I1616 PolarHBondContact O-N 2.9Å; Y1613-I1616 VanDerWaalsContact O-N 3.14Å; I1616-L1618 VanDerWaalsContact C-N 3.29Å; I1616-L1618 PolarHBondContact O-N 2.86Å; I1616-L1619 WeakPolarHBondContact O-CB 3.21Å; I1616-L1619 PolarHBondContact O-N 3.26Å; I1616-L1619 VanDerWaalsContact O-N 3.1Å; I1616-I1620 HydrophobicContact CG2-CD1 3.81Å; I1616-I1620 WeakPolarHBondContact O-CG1 3.44Å; I1616-I1620 PolarHBondContact O-N 2.82Å |
| 1617 | G | 92.3 | Very high | 88.2 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.6 | -39.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1605 Y1613 Y1621 | L1605-G1617 WeakPolarHBondContact CD1-O 3.31Å; Y1613-G1617 PolarHBondContact O-N 2.83Å; G1617-Y1621 WeakPolarHBondContact O-CB 3.49Å; G1617-Y1621 PolarHBondContact O-N 3.26Å |
| 1618 | L | 91.5 | Very high | 85.5 | Confident | 88 Ų | 88 | 64.6 Ų | 64.6 | 46% | 0.461 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.3 | -35.7 | 174.2 | -76.9 | 167.4 | 0 | 0 | 0 | 113.2 | K1614 D1615 I1616 A1622 I1660 | K1614-L1618 WeakPolarHBondContact O-CB 3.49Å; K1614-L1618 WeakPolarHBondContact O-CG 3.47Å; K1614-L1618 PolarHBondContact O-N 3.38Å; D1615-L1618 PolarHBondContact O-N 3.44Å; I1616-L1618 VanDerWaalsContact C-N 3.29Å; I1616-L1618 PolarHBondContact O-N 2.86Å; L1618-A1622 VanDerWaalsContact O-CB 3.26Å; L1618-A1622 WeakPolarHBondContact O-CB 3.49Å; L1618-A1622 PolarHBondContact O-N 2.71Å; L1618-I1660 HydrophobicContact CD2-CD1 4.29Å; L1618-I1660 HydrophobicContact CD2-CG2 4.44Å |
| 1619 | L | 91.2 | Very high | 82.6 | Confident | 26 Ų | 26 | 69.6 Ų | 69.6 | 14% | 0.136 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66 | -49.4 | 174.9 | -76.2 | 163.3 | 0 | 0 | 0 | 111.5 | K1580 R1584 L1587 D1615 I1616 A1622 H1623 | K1580-L1619 HydrophobicContact CG-CD1 3.95Å; R1584-L1619 HydrophobicContact CG-CD1 3.92Å; R1584-L1619 HydrophobicContact CG-CD2 4.36Å; L1587-L1619 HydrophobicContact CD1-CB 4.26Å; D1615-L1619 VanDerWaalsContact O-CG 3.31Å; D1615-L1619 WeakPolarHBondContact O-CG 3.36Å; D1615-L1619 PolarHBondContact O-N 3.32Å; I1616-L1619 WeakPolarHBondContact O-CB 3.21Å; I1616-L1619 PolarHBondContact O-N 3.26Å; I1616-L1619 VanDerWaalsContact O-N 3.1Å; L1619-A1622 PolarHBondContact O-N 2.83Å; L1619-H1623 PolarHBondContact O-N 2.88Å |
| 1620 | I | 90.9 | Very high | 79.7 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 178.6 | -60.4 | 166.4 | 0 | 0 | 0 | 110.4 | A1575 V1583 L1587 A1594 A1604 L1605 A1608 I1616 A1622 H1623 L1624 | A1575-I1620 HydrophobicContact CB-CD1 4.21Å; V1583-I1620 HydrophobicContact CG1-CD1 4.33Å; V1583-I1620 HydrophobicContact CG1-CG1 4Å; L1587-I1620 HydrophobicContact CD1-CG1 3.97Å; A1594-I1620 HydrophobicContact CB-CG2 4.48Å; A1604-I1620 HydrophobicContact CB-CD1 4.01Å; L1605-I1620 HydrophobicContact CB-CG2 3.88Å; L1605-I1620 HydrophobicContact CD1-CB 4.47Å; A1608-I1620 HydrophobicContact CB-CD1 4.31Å; I1616-I1620 HydrophobicContact CG2-CD1 3.81Å; I1616-I1620 WeakPolarHBondContact O-CG1 3.44Å; I1616-I1620 PolarHBondContact O-N 2.82Å; I1620-A1622 PolarHBondContact O-N 2.65Å; I1620-H1623 PolarHBondContact O-N 3.36Å; I1620-L1624 HydrophobicContact CG2-CD1 3.88Å; I1620-L1624 HydrophobicContact CG2-CG 4.4Å; I1620-L1624 WeakPolarHBondContact O-CB 3.49Å; I1620-L1624 WeakPolarHBondContact O-CG 3.46Å; I1620-L1624 PolarHBondContact O-N 3.2Å |
| 1621 | Y | 90.1 | Very high | 76.6 | Confident | 62 Ų | 62 | 70.4 Ų | 70.4 | 24% | 0.243 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63 | -40.4 | 175.4 | -179.3 | -99.7 | 0 | 0 | 0 | 112.2 | L1605 G1617 N1625 | L1605-Y1621 HydrophobicContact CD2-CD2 4.15Å; G1617-Y1621 WeakPolarHBondContact O-CB 3.49Å; G1617-Y1621 PolarHBondContact O-N 3.26Å; Y1621-N1625 VanDerWaalsContact CD2-ND2 3.35Å; Y1621-N1625 WeakPolarHBondContact CD2-ND2 3.37Å; Y1621-N1625 WeakPolarHBondContact CE2-ND2 3.4Å; Y1621-N1625 PolarHBondContact O-N 2.91Å; Y1621-N1625 PolarHBondContact O-ND2 2.87Å |
| 1622 | A | 90.1 | Very high | 73.8 | Confident | 23 Ų | 23 | 71.7 Ų | 71.7 | 19% | 0.19 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.3 | -48.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1618 L1619 I1620 N1625 H1626 | L1618-A1622 VanDerWaalsContact O-CB 3.26Å; L1618-A1622 WeakPolarHBondContact O-CB 3.49Å; L1618-A1622 PolarHBondContact O-N 2.71Å; L1619-A1622 PolarHBondContact O-N 2.83Å; I1620-A1622 PolarHBondContact O-N 2.65Å; A1622-N1625 PolarHBondContact O-N 2.81Å; A1622-H1626 PolarHBondContact O-CD2 2.9Å; A1622-H1626 PolarHBondContact O-N 3.24Å; A1622-H1626 VanDerWaalsContact O-N 3.13Å |
| 1623 | H | 88.3 | Confident | 70.9 | Confident | 35 Ų | 35 | 75.7 Ų | 75.7 | 16% | 0.162 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -53.8 | -61.1 | 176.1 | -178.7 | 101.4 | 0 | 0 | 0 | 110.9 | L1587 L1619 I1620 N1625 H1626 D1627 | L1587-H1623 HydrophobicContact CD1-CB 4.37Å; L1587-H1623 HydrophobicContact CD2-CB 4.22Å; L1587-H1623 PolarHBondContact O-CE1 3.38Å; L1587-H1623 PolarHBondContact O-ND1 2.88Å; L1619-H1623 PolarHBondContact O-N 2.88Å; I1620-H1623 PolarHBondContact O-N 3.36Å; H1623-N1625 PolarHBondContact O-N 3.17Å; H1623-H1626 PolarHBondContact O-N 3.5Å; H1623-D1627 IonicContact CD2-OD2 2.69Å; H1623-D1627 PolarHBondContact CD2-OD2 3.2Å; H1623-D1627 VanDerWaalsContact CD2-OD2 3.28Å; H1623-D1627 IonicContact CG-OD2 3.18Å; H1623-D1627 IonicContact NE2-OD2 3.02Å; H1623-D1627 PolarHBondContact O-N 2.72Å |
| 1624 | L | 87.9 | Confident | 67.7 | Low | 41 Ų | 41 | 76.9 Ų | 76.9 | 22% | 0.215 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -54.7 | -29.1 | -178 | -72.8 | 172 | 0 | 0 | 0 | 115 | A1594 L1605 I1620 | A1594-L1624 HydrophobicContact CB-CD2 3.78Å; A1594-L1624 HydrophobicContact CB-CG 4.15Å; L1605-L1624 HydrophobicContact CD2-CD1 4.38Å; I1620-L1624 HydrophobicContact CG2-CD1 3.88Å; I1620-L1624 HydrophobicContact CG2-CG 4.4Å; I1620-L1624 WeakPolarHBondContact O-CB 3.49Å; I1620-L1624 WeakPolarHBondContact O-CG 3.46Å; I1620-L1624 PolarHBondContact O-N 3.2Å |
| 1625 | N | 81.7 | Confident | 64.9 | Low | 71 Ų | 71 | 75.1 Ų | 75.1 | 38% | 0.38 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -89.7 | -17.8 | 178.2 | -74.3 | -99.2 | 0 | 0 | 0 | 113.4 | Y1621 A1622 H1623 | Y1621-N1625 VanDerWaalsContact CD2-ND2 3.35Å; Y1621-N1625 WeakPolarHBondContact CD2-ND2 3.37Å; Y1621-N1625 WeakPolarHBondContact CE2-ND2 3.4Å; Y1621-N1625 PolarHBondContact O-N 2.91Å; Y1621-N1625 PolarHBondContact O-ND2 2.87Å; A1622-N1625 PolarHBondContact O-N 2.81Å; H1623-N1625 PolarHBondContact O-N 3.17Å |
| 1626 | H | 76.5 | Confident | 62.1 | Low | 107 Ų | 107 | 79.4 Ų | 79.4 | 50% | 0.495 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -82.3 | -29.7 | 175 | -73.6 | -44.5 | 0 | 0 | 0 | 112.5 | A1622 H1623 H1628 S1629 | A1622-H1626 PolarHBondContact O-CD2 2.9Å; A1622-H1626 PolarHBondContact O-N 3.24Å; A1622-H1626 VanDerWaalsContact O-N 3.13Å; H1623-H1626 PolarHBondContact O-N 3.5Å; H1626-H1628 PolarHBondContact O-N 2.91Å; H1626-S1629 PolarHBondContact O-N 3.36Å; H1626-S1629 PolarHBondContact O-OG 2.94Å; H1626-S1629 VanDerWaalsContact O-OG 3.08Å |
| 1627 | D | 54.3 | Low | 59.1 | Low | 75 Ų | 75 | 87.9 Ų | 87.9 | 40% | 0.401 | 49% | 0.488 | S | S | . | . | G | 310 helix | trans | -66.2 | -20.2 | 179.9 | -57.3 | -39.9 | 0 | 0 | 0 | 113.6 | H1623 S1629 S1630 | H1623-D1627 IonicContact CD2-OD2 2.69Å; H1623-D1627 PolarHBondContact CD2-OD2 3.2Å; H1623-D1627 VanDerWaalsContact CD2-OD2 3.28Å; H1623-D1627 IonicContact CG-OD2 3.18Å; H1623-D1627 IonicContact NE2-OD2 3.02Å; H1623-D1627 PolarHBondContact O-N 2.72Å; D1627-S1629 PolarHBondContact O-N 2.7Å; D1627-S1630 PolarHBondContact O-N 3.01Å; D1627-S1630 PolarHBondContact O-OG 3.34Å |
| 1628 | H | 36.8 | Very low | 56.1 | Low | 140 Ų | 140 | 97 Ų | 97 | 65% | 0.648 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -60.6 | 0.1 | 176.1 | -70.7 | -26.5 | 0 | 0 | 0 | 115.4 | H1626 S1630 | H1626-H1628 PolarHBondContact O-N 2.91Å; H1628-S1630 VanDerWaalsContact C-N 3.33Å |
| 1629 | S | 32.3 | Very low | 53.2 | Low | 105 Ų | 105 | 101.6 Ų | 101.6 | 73% | 0.734 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -78.3 | -10.1 | 169.5 | 53.4 | 0 | 0 | 0 | 0 | 114.2 | H1626 D1627 L1631 | H1626-S1629 PolarHBondContact O-N 3.36Å; H1626-S1629 PolarHBondContact O-OG 2.94Å; H1626-S1629 VanDerWaalsContact O-OG 3.08Å; D1627-S1629 PolarHBondContact O-N 2.7Å; S1629-L1631 PolarHBondContact O-N 2.92Å |
| 1630 | S | 30 | Very low | 50.2 | Low | 104 Ų | 104 | 108.4 Ų | 108.4 | 73% | 0.727 | 58% | 0.581 | S | S | * | * | trans | -92.2 | 52.3 | 177.3 | 73.8 | 0 | 0 | 0 | 0 | 114.5 | D1627 H1628 | D1627-S1630 PolarHBondContact O-N 3.01Å; D1627-S1630 PolarHBondContact O-OG 3.34Å; H1628-S1630 VanDerWaalsContact C-N 3.33Å | ||
| 1631 | L | 26.6 | Very low | 47.1 | Very low | 146 Ų | 146 | 111.7 Ų | 111.7 | 76% | 0.764 | 62% | 0.615 | S | S | * | * | trans | -76 | 145.1 | 164.7 | -80.7 | 168.2 | 0 | 0 | 0 | 110.4 | S1629 | S1629-L1631 PolarHBondContact O-N 2.92Š| ||
| 1632 | P | 31 | Very low | 44 | Very low | 111 Ų | 111 | 114 Ų | 114 | 72% | 0.721 | 64% | 0.64 | S | S | * | * | trans | -65.4 | 140.1 | -169.6 | 26 | -34.6 | 0 | 0 | 0 | 112.1 | S1634 | P1632-S1634 PolarHBondContact O-N 2.84Š| ||
| 1633 | V | 28.6 | Very low | 41 | Very low | 127 Ų | 127 | 120.8 Ų | 120.8 | 77% | 0.77 | 67% | 0.672 | S | S | * | * | trans | -60.6 | 99.5 | -172.8 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | N1635 | V1633-N1635 PolarHBondContact O-N 3.41Š| ||
| 1634 | S | 26.6 | Very low | 38 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 76% | 0.755 | 71% | 0.706 | S | S | * | * | trans | -69.4 | 116.3 | 151.5 | -61.5 | 0 | 0 | 0 | 0 | 106.9 | P1632 | P1632-S1634 PolarHBondContact O-N 2.84Š| ||
| 1635 | N | 32 | Very low | 35 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 72% | 0.717 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | 155 | 174.5 | -71.6 | -31.5 | 0 | 0 | 0 | 110.5 | V1633 | V1633-N1635 PolarHBondContact O-N 3.41Š|
| 1636 | D | 33.1 | Very low | 32.4 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.3 | 2.7 | 171.3 | -53.3 | -14.3 | 0 | 0 | 0 | 118.2 | ||
| 1637 | Q | 28.9 | Very low | 30.1 | Very low | 178 Ų | 178 | 136 Ų | 136 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | trans | -119.5 | 53.5 | 171.7 | -66.9 | -163.1 | -7.1 | 0 | 0 | 115.3 | K1639 | Q1637-K1639 VanDerWaalsContact C-N 3.32Å; Q1637-K1639 PolarHBondContact O-N 3.19Å | ||
| 1638 | Q | 29.8 | Very low | 28.8 | Very low | 196 Ų | 196 | 141.2 Ų | 141.2 | 92% | 0.916 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 77.4 | 166.3 | -70.2 | -173.5 | -11 | 0 | 0 | 112.5 | ||
| 1639 | K | 30.9 | Very low | 28.2 | Very low | 185 Ų | 185 | 143.9 Ų | 143.9 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -162.2 | 1.5 | 159.2 | -118.8 | 160.3 | -171.2 | 175.6 | 0 | 119.6 | Q1637 | Q1637-K1639 VanDerWaalsContact C-N 3.32Å; Q1637-K1639 PolarHBondContact O-N 3.19Å |
| 1640 | L | 27.7 | Very low | 28 | Very low | 169 Ų | 169 | 147 Ų | 147 | 89% | 0.885 | 78% | 0.779 | S | S | * | * | trans | -102.3 | 86.3 | 175.7 | -83.1 | 160.9 | 0 | 0 | 0 | 111.6 | C1642 | L1640-C1642 PolarHBondContact O-N 3.43Å; L1640-C1642 VanDerWaalsContact O-N 3.16Å | ||
| 1641 | G | 25.7 | Very low | 27.9 | Very low | 69 Ų | 69 | 149.9 Ų | 149.9 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | -71.3 | 102.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1643 | G1641-L1643 PolarHBondContact O-N 3.09Š| ||
| 1642 | C | 25.4 | Very low | 28 | Very low | 112 Ų | 112 | 148.3 Ų | 148.3 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | trans | -65.6 | 102.7 | 169.6 | -171.4 | 0 | 0 | 0 | 0 | 109 | L1640 R1644 | L1640-C1642 PolarHBondContact O-N 3.43Å; L1640-C1642 VanDerWaalsContact O-N 3.16Å; C1642-R1644 VanDerWaalsContact C-N 3.25Å; C1642-R1644 PolarHBondContact O-N 3.39Å | ||
| 1643 | L | 26.9 | Very low | 27.8 | Very low | 165 Ų | 165 | 148.4 Ų | 148.4 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | trans | -72.2 | 80.4 | -179.6 | -80.4 | 168.1 | 0 | 0 | 0 | 110.7 | G1641 C1645 | G1641-L1643 PolarHBondContact O-N 3.09Å; L1643-C1645 PolarHBondContact O-N 3.24Å | ||
| 1644 | R | 25.5 | Very low | 27.6 | Very low | 234 Ų | 234 | 146.6 Ų | 146.6 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | 6.5 | 85.5 | 164.5 | -167.1 | 171.2 | -172.2 | 152.2 | 1.5 | 113.5 | C1642 S1646 | C1642-R1644 VanDerWaalsContact C-N 3.25Å; C1642-R1644 PolarHBondContact O-N 3.39Å; R1644-S1646 VanDerWaalsContact C-N 3.31Å; R1644-S1646 PolarHBondContact O-N 3.39Å | ||
| 1645 | C | 25.6 | Very low | 27.8 | Very low | 113 Ų | 113 | 146.3 Ų | 146.3 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | -62.4 | 89 | 178.8 | -65.9 | 0 | 0 | 0 | 0 | 110.5 | L1643 F1647 | L1643-C1645 PolarHBondContact O-N 3.24Å; C1645-F1647 PolarHBondContact O-N 3.27Å; C1645-F1647 VanDerWaalsContact O-N 3.11Å | ||
| 1646 | S | 26.9 | Very low | 27.6 | Very low | 93 Ų | 93 | 142.9 Ų | 142.9 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | trans | -63.1 | 112.6 | 175.5 | 179.1 | 0 | 0 | 0 | 0 | 109.1 | R1644 R1648 | R1644-S1646 VanDerWaalsContact C-N 3.31Å; R1644-S1646 PolarHBondContact O-N 3.39Å; S1646-R1648 VanDerWaalsContact C-N 3.33Å; S1646-R1648 PolarHBondContact O-N 3.35Å | ||
| 1647 | F | 27.7 | Very low | 27.6 | Very low | 132 Ų | 132 | 142.9 Ų | 142.9 | 58% | 0.579 | 73% | 0.734 | S | S | * | * | trans | -60 | 94.9 | 168.1 | -109.1 | -99.6 | 0 | 0 | 0 | 108.4 | C1645 | C1645-F1647 PolarHBondContact O-N 3.27Å; C1645-F1647 VanDerWaalsContact O-N 3.11Å | ||
| 1648 | R | 26.7 | Very low | 27.7 | Very low | 185 Ų | 185 | 143.1 Ų | 143.1 | 70% | 0.698 | 73% | 0.729 | S | S | * | * | trans | -150.1 | 71 | -173 | -158.9 | 176.4 | -165.5 | 179.9 | 7.8 | 112.7 | S1646 Q1650 | S1646-R1648 VanDerWaalsContact C-N 3.33Å; S1646-R1648 PolarHBondContact O-N 3.35Å; R1648-Q1650 PolarHBondContact O-N 2.87Å | ||
| 1649 | E | 25.5 | Very low | 27.8 | Very low | 196 Ų | 196 | 137.1 Ų | 137.1 | 92% | 0.916 | 71% | 0.707 | S | S | * | * | trans | 49.6 | 24.6 | 162.5 | -59.2 | -166.1 | 123.2 | 0 | 0 | 117.6 | E1651 | E1649-E1651 PolarHBondContact O-N 3.45Š| ||
| 1650 | Q | 27.4 | Very low | 28 | Very low | 171 Ų | 171 | 131.2 Ų | 131.2 | 80% | 0.799 | 68% | 0.683 | S | S | * | * | trans | -78.4 | 110.4 | 158.5 | -65.1 | -168.4 | 19.4 | 0 | 0 | 107.5 | R1648 I1652 | R1648-Q1650 PolarHBondContact O-N 2.87Å; Q1650-I1652 PolarHBondContact O-N 3.11Å | ||
| 1651 | E | 27.5 | Very low | 28.3 | Very low | 164 Ų | 164 | 129.4 Ų | 129.4 | 77% | 0.766 | 67% | 0.671 | S | S | * | * | trans | -47 | 122.9 | 175.5 | -59.9 | 177.4 | 124.8 | 0 | 0 | 109.5 | E1649 T1653 | E1649-E1651 PolarHBondContact O-N 3.45Å; E1651-T1653 HydrophobicContact CB-CG2 4.17Å; E1651-T1653 PolarHBondContact O-N 3.08Å; E1651-T1653 PolarHBondContact O-OG1 3.03Å | ||
| 1652 | I | 29.4 | Very low | 28.6 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 59% | 0.585 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -70.7 | 79.8 | -169.3 | -53.6 | 176.8 | 0 | 0 | 0 | 110.2 | Q1650 I1656 | Q1650-I1652 PolarHBondContact O-N 3.11Å; I1652-I1656 HydrophobicContact CG2-CD1 3.89Å; I1652-I1656 HydrophobicContact CG2-CG1 4.29Å |
| 1653 | T | 26.9 | Very low | 28.9 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 69% | 0.693 | 64% | 0.641 | S | S | * | * | trans | -127.6 | -13.6 | -172.8 | 55.3 | 0 | 0 | 0 | 0 | 111.4 | E1651 S1655 | E1651-T1653 HydrophobicContact CB-CG2 4.17Å; E1651-T1653 PolarHBondContact O-N 3.08Å; E1651-T1653 PolarHBondContact O-OG1 3.03Å; T1653-S1655 PolarHBondContact O-N 3.03Å | ||
| 1654 | C | 24 | Very low | 29.3 | Very low | 88 Ų | 88 | 127.5 Ų | 127.5 | 60% | 0.595 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -71.2 | 90 | 169.7 | 55.6 | 0 | 0 | 0 | 0 | 111.4 | I1656 | C1654-I1656 VanDerWaalsContact C-N 3.27Å; C1654-I1656 WeakPolarHBondContact O-CG1 3.23Å; C1654-I1656 PolarHBondContact O-N 3.16Å |
| 1655 | S | 29.7 | Very low | 29.8 | Very low | 103 Ų | 103 | 120 Ų | 120 | 72% | 0.72 | 61% | 0.609 | S | S | * | * | S | Bend | trans | 67.3 | -17.5 | 161.3 | -53.4 | 0 | 0 | 0 | 0 | 119.5 | T1653 K1657 Y1658 | T1653-S1655 PolarHBondContact O-N 3.03Å; S1655-K1657 PolarHBondContact O-N 2.85Å; S1655-Y1658 PolarHBondContact O-N 3.14Å |
| 1656 | I | 28.2 | Very low | 30.3 | Very low | 62 Ų | 62 | 117.2 Ų | 117.2 | 32% | 0.318 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.1 | -6.2 | -178.8 | -37.3 | -171.8 | 0 | 0 | 0 | 113.1 | I1652 C1654 Y1658 P1659 I1660 | I1652-I1656 HydrophobicContact CG2-CD1 3.89Å; I1652-I1656 HydrophobicContact CG2-CG1 4.29Å; C1654-I1656 VanDerWaalsContact C-N 3.27Å; C1654-I1656 WeakPolarHBondContact O-CG1 3.23Å; C1654-I1656 PolarHBondContact O-N 3.16Å; I1656-Y1658 VanDerWaalsContact C-N 3.26Å; I1656-Y1658 PolarHBondContact O-N 3.45Å; I1656-P1659 WeakPolarHBondContact O-CD 3.32Å; I1656-I1660 HydrophobicContact CG2-CD1 3.9Å; I1656-I1660 HydrophobicContact CG2-CG1 4.12Å; I1656-I1660 PolarHBondContact O-N 3.24Å |
| 1657 | K | 32.4 | Very low | 30.6 | Very low | 158 Ų | 158 | 119.1 Ų | 119.1 | 69% | 0.687 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -59.3 | -33.4 | 174.5 | -165.2 | 174.8 | -177.9 | -177.9 | 0 | 113.3 | S1655 | S1655-K1657 PolarHBondContact O-N 2.85Å |
| 1658 | Y | 31.3 | Very low | 31.2 | Very low | 184 Ų | 184 | 116 Ų | 116 | 72% | 0.722 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -76.4 | -46.7 | 179.9 | -86.4 | -79.6 | 0 | 0 | 0 | 114.1 | S1655 I1656 M1662 | S1655-Y1658 PolarHBondContact O-N 3.14Å; I1656-Y1658 VanDerWaalsContact C-N 3.26Å; I1656-Y1658 PolarHBondContact O-N 3.45Å; Y1658-M1662 WeakPolarHBondContact O-CB 3.17Å; Y1658-M1662 WeakPolarHBondContact O-CG 3.46Å; Y1658-M1662 PolarHBondContact O-N 3.31Å; Y1658-M1662 VanDerWaalsContact O-N 3.12Å |
| 1659 | P | 32.7 | Very low | 31.6 | Very low | 69 Ų | 69 | 112 Ų | 112 | 45% | 0.448 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -56.8 | -45.7 | 173.1 | -30 | 35.8 | 0 | 0 | 0 | 114.2 | I1656 M1662 C1663 | I1656-P1659 WeakPolarHBondContact O-CD 3.32Å; P1659-M1662 CarbonylContact O-C 3.59Å; P1659-M1662 PolarHBondContact O-N 2.04Å; P1659-C1663 WeakPolarHBondContact O-CB 3.32Å; P1659-C1663 PolarHBondContact O-N 2.93Å; P1659-C1663 PolarHBondContact O-SG 3.34Å |
| 1660 | I | 34.5 | Very low | 32 | Very low | 61 Ų | 61 | 105.8 Ų | 105.8 | 31% | 0.313 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.1 | -44.9 | -172.1 | -65.2 | 166.8 | 0 | 0 | 0 | 112 | L1618 I1656 M1662 C1663 F1664 | L1618-I1660 HydrophobicContact CD2-CD1 4.29Å; L1618-I1660 HydrophobicContact CD2-CG2 4.44Å; I1656-I1660 HydrophobicContact CG2-CD1 3.9Å; I1656-I1660 HydrophobicContact CG2-CG1 4.12Å; I1656-I1660 PolarHBondContact O-N 3.24Å; I1660-M1662 VanDerWaalsContact C-N 3.32Å; I1660-M1662 PolarHBondContact O-N 3.34Å; I1660-C1663 PolarHBondContact O-N 3.27Å; I1660-F1664 PolarHBondContact O-N 3.4Å |
| 1661 | E | 33.6 | Very low | 32.5 | Very low | 132 Ų | 132 | 102.5 Ų | 102.5 | 62% | 0.617 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.7 | -41.3 | 172.2 | -79.5 | -169.5 | 162.2 | 0 | 0 | 111 | C1663 L1665 | E1661-C1663 PolarHBondContact O-N 3.3Å; E1661-L1665 WeakPolarHBondContact O-CB 3.42Å; E1661-L1665 PolarHBondContact O-N 2.93Å |
| 1662 | M | 32.5 | Very low | 32.8 | Very low | 109 Ų | 109 | 100.8 Ų | 100.8 | 54% | 0.537 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.5 | -26 | 177.4 | -78.4 | -72.4 | -75.8 | 0 | 0 | 114 | Y1658 P1659 I1660 L1665 A1666 | Y1658-M1662 WeakPolarHBondContact O-CB 3.17Å; Y1658-M1662 WeakPolarHBondContact O-CG 3.46Å; Y1658-M1662 PolarHBondContact O-N 3.31Å; Y1658-M1662 VanDerWaalsContact O-N 3.12Å; P1659-M1662 CarbonylContact O-C 3.59Å; P1659-M1662 PolarHBondContact O-N 2.04Å; I1660-M1662 VanDerWaalsContact C-N 3.32Å; I1660-M1662 PolarHBondContact O-N 3.34Å; M1662-L1665 CarbonylContact O-C 3.58Å; M1662-L1665 HydrophobicContact SD-CD2 4.26Å; M1662-A1666 WeakPolarHBondContact O-CA 3.47Å; M1662-A1666 WeakPolarHBondContact O-CB 3.48Å; M1662-A1666 PolarHBondContact O-N 3.47Å |
| 1663 | C | 33.1 | Very low | 32.9 | Very low | 46 Ų | 46 | 104.3 Ų | 104.3 | 31% | 0.311 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -77.7 | -43.7 | 176.1 | -76.9 | 0 | 0 | 0 | 0 | 111.4 | P1659 I1660 E1661 L1665 A1666 M1667 | P1659-C1663 WeakPolarHBondContact O-CB 3.32Å; P1659-C1663 PolarHBondContact O-N 2.93Å; P1659-C1663 PolarHBondContact O-SG 3.34Å; I1660-C1663 PolarHBondContact O-N 3.27Å; E1661-C1663 PolarHBondContact O-N 3.3Å; C1663-L1665 VanDerWaalsContact C-N 3.28Å; C1663-L1665 PolarHBondContact O-N 2.91Å; C1663-A1666 PolarHBondContact O-N 2.97Å; C1663-M1667 WeakPolarHBondContact O-CB 3.22Å; C1663-M1667 WeakPolarHBondContact O-CG 3.37Å; C1663-M1667 PolarHBondContact O-N 2.86Å |
| 1664 | F | 33.8 | Very low | 33.2 | Very low | 151 Ų | 151 | 103.7 Ų | 103.7 | 66% | 0.662 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.9 | -37.7 | 168.7 | -109.2 | -88 | 0 | 0 | 0 | 111.5 | I1660 A1666 T1668 | I1660-F1664 PolarHBondContact O-N 3.4Å; F1664-A1666 VanDerWaalsContact C-N 3.34Å; F1664-T1668 PolarHBondContact O-N 3.3Å; F1664-T1668 VanDerWaalsContact O-N 3.15Å; F1664-T1668 PolarHBondContact O-OG1 3.13Å |
| 1665 | L | 37.3 | Very low | 33.8 | Very low | 77 Ų | 77 | 103 Ų | 103 | 40% | 0.403 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -73.6 | -22.1 | 175 | -161.2 | 67 | 0 | 0 | 0 | 112.9 | E1661 M1662 C1663 T1668 K1669 | E1661-L1665 WeakPolarHBondContact O-CB 3.42Å; E1661-L1665 PolarHBondContact O-N 2.93Å; M1662-L1665 CarbonylContact O-C 3.58Å; M1662-L1665 HydrophobicContact SD-CD2 4.26Å; C1663-L1665 VanDerWaalsContact C-N 3.28Å; C1663-L1665 PolarHBondContact O-N 2.91Å; L1665-T1668 VanDerWaalsContact CA-OG1 3.29Å; L1665-T1668 WeakPolarHBondContact CA-OG1 3.08Å; L1665-T1668 PolarHBondContact O-OG1 2.57Å; L1665-K1669 VanDerWaalsContact CD2-NZ 3.29Å; L1665-K1669 HydrophobicContact CG-CD 4.09Å; L1665-K1669 WeakPolarHBondContact O-CB 3.35Å; L1665-K1669 WeakPolarHBondContact O-CD 3.47Å; L1665-K1669 WeakPolarHBondContact O-CG 3.09Å; L1665-K1669 PolarHBondContact O-N 3.44Å |
| 1666 | A | 36.1 | Very low | 34.1 | Very low | 54 Ų | 54 | 105.2 Ų | 105.2 | 45% | 0.446 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -83.5 | -42 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1662 C1663 F1664 T1668 K1669 S1670 | M1662-A1666 WeakPolarHBondContact O-CA 3.47Å; M1662-A1666 WeakPolarHBondContact O-CB 3.48Å; M1662-A1666 PolarHBondContact O-N 3.47Å; C1663-A1666 PolarHBondContact O-N 2.97Å; F1664-A1666 VanDerWaalsContact C-N 3.34Å; A1666-T1668 PolarHBondContact O-N 3.27Å; A1666-K1669 CarbonylContact O-C 3.55Å; A1666-K1669 PolarHBondContact O-N 3.38Å; A1666-K1669 VanDerWaalsContact O-N 3.12Å; A1666-S1670 PolarHBondContact O-N 3.48Å |
| 1667 | M | 33.1 | Very low | 34.3 | Very low | 133 Ų | 133 | 107.7 Ų | 107.7 | 66% | 0.655 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.4 | -28.9 | 171 | -74.3 | -175.7 | 168 | 0 | 0 | 112 | C1663 S1670 | C1663-M1667 WeakPolarHBondContact O-CB 3.22Å; C1663-M1667 WeakPolarHBondContact O-CG 3.37Å; C1663-M1667 PolarHBondContact O-N 2.86Å; M1667-S1670 PolarHBondContact O-OG 3.21Å; M1667-S1670 VanDerWaalsContact O-OG 3.06Å |
| 1668 | T | 39.9 | Very low | 34.4 | Very low | 65 Ų | 65 | 103.7 Ų | 103.7 | 40% | 0.399 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -87.3 | -29.7 | 170.4 | 50.3 | 0 | 0 | 0 | 0 | 113.9 | F1664 L1665 A1666 Q1671 | F1664-T1668 PolarHBondContact O-N 3.3Å; F1664-T1668 VanDerWaalsContact O-N 3.15Å; F1664-T1668 PolarHBondContact O-OG1 3.13Å; L1665-T1668 VanDerWaalsContact CA-OG1 3.29Å; L1665-T1668 WeakPolarHBondContact CA-OG1 3.08Å; L1665-T1668 PolarHBondContact O-OG1 2.57Å; A1666-T1668 PolarHBondContact O-N 3.27Å; T1668-Q1671 WeakPolarHBondContact O-CB 3.2Å |
| 1669 | K | 35.4 | Very low | 34.8 | Very low | 103 Ų | 103 | 101.3 Ų | 101.3 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -78.6 | -17.8 | 174.9 | -80.4 | 170 | 179.1 | 169 | 0 | 115 | L1665 A1666 Q1671 H1672 W1673 | L1665-K1669 VanDerWaalsContact CD2-NZ 3.29Å; L1665-K1669 HydrophobicContact CG-CD 4.09Å; L1665-K1669 WeakPolarHBondContact O-CB 3.35Å; L1665-K1669 WeakPolarHBondContact O-CD 3.47Å; L1665-K1669 WeakPolarHBondContact O-CG 3.09Å; L1665-K1669 PolarHBondContact O-N 3.44Å; A1666-K1669 CarbonylContact O-C 3.55Å; A1666-K1669 PolarHBondContact O-N 3.38Å; A1666-K1669 VanDerWaalsContact O-N 3.12Å; K1669-Q1671 VanDerWaalsContact C-N 3.27Å; K1669-Q1671 PolarHBondContact O-N 3.26Å; K1669-H1672 WeakPolarHBondContact O-CA 3.42Å; K1669-H1672 VanDerWaalsContact O-CB 3.24Å; K1669-H1672 WeakPolarHBondContact O-CB 3.48Å; K1669-H1672 PolarHBondContact O-N 2.85Å; K1669-W1673 PolarHBondContact O-N 3.12Å |
| 1670 | S | 34.2 | Very low | 34.8 | Very low | 64 Ų | 64 | 103.5 Ų | 103.5 | 45% | 0.448 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.3 | -40.2 | 173.2 | 62.8 | 0 | 0 | 0 | 0 | 111.4 | A1666 M1667 H1672 W1673 V1674 | A1666-S1670 PolarHBondContact O-N 3.48Å; M1667-S1670 PolarHBondContact O-OG 3.21Å; M1667-S1670 VanDerWaalsContact O-OG 3.06Å; S1670-H1672 PolarHBondContact O-N 2.9Å; S1670-W1673 PolarHBondContact O-N 3.31Å; S1670-V1674 PolarHBondContact O-N 2.93Å |
| 1671 | Q | 36.6 | Very low | 34.6 | Very low | 103 Ų | 103 | 104.5 Ų | 104.5 | 48% | 0.481 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -53.2 | -33.8 | 169.4 | -64.6 | -90.7 | -28.9 | 0 | 0 | 112.3 | T1668 K1669 W1673 V1674 T1675 | T1668-Q1671 WeakPolarHBondContact O-CB 3.2Å; K1669-Q1671 VanDerWaalsContact C-N 3.27Å; K1669-Q1671 PolarHBondContact O-N 3.26Å; Q1671-W1673 VanDerWaalsContact C-N 3.34Å; Q1671-V1674 PolarHBondContact O-N 3.13Å; Q1671-T1675 PolarHBondContact O-N 3.35Å; Q1671-T1675 VanDerWaalsContact O-N 3.14Å; Q1671-T1675 PolarHBondContact O-OG1 3.09Å |
| 1672 | H | 34.5 | Very low | 34.4 | Very low | 127 Ų | 127 | 104.8 Ų | 104.8 | 59% | 0.588 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -77.7 | -18.3 | -178 | -146.3 | -29.3 | 0 | 0 | 0 | 113.6 | K1669 S1670 T1675 K1676 | K1669-H1672 WeakPolarHBondContact O-CA 3.42Å; K1669-H1672 VanDerWaalsContact O-CB 3.24Å; K1669-H1672 WeakPolarHBondContact O-CB 3.48Å; K1669-H1672 PolarHBondContact O-N 2.85Å; S1670-H1672 PolarHBondContact O-N 2.9Å; H1672-T1675 PolarHBondContact O-OG1 2.78Å; H1672-K1676 PolarHBondContact O-N 3.48Å |
| 1673 | W | 30.4 | Very low | 34.3 | Very low | 188 Ų | 188 | 105.2 Ų | 105.2 | 71% | 0.712 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -77.9 | -39.4 | 166 | -81.1 | 68 | 0 | 0 | 0 | 111.2 | K1669 S1670 Q1671 T1675 K1676 L1677 | K1669-W1673 PolarHBondContact O-N 3.12Å; S1670-W1673 PolarHBondContact O-N 3.31Å; Q1671-W1673 VanDerWaalsContact C-N 3.34Å; W1673-T1675 VanDerWaalsContact C-N 3.31Å; W1673-T1675 PolarHBondContact O-N 3.27Å; W1673-K1676 PolarHBondContact O-N 3.48Å; W1673-K1676 VanDerWaalsContact O-N 3.16Å; W1673-L1677 WeakPolarHBondContact O-CB 3.39Å; W1673-L1677 WeakPolarHBondContact O-CG 3.44Å; W1673-L1677 PolarHBondContact O-N 2.97Å |
| 1674 | V | 33.3 | Very low | 34.1 | Very low | 100 Ų | 100 | 107.7 Ų | 107.7 | 61% | 0.606 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -58.8 | -42.3 | 176.2 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | S1670 Q1671 L1677 S1678 | S1670-V1674 PolarHBondContact O-N 2.93Å; Q1671-V1674 PolarHBondContact O-N 3.13Å; V1674-L1677 PolarHBondContact O-N 3.48Å; V1674-S1678 PolarHBondContact O-N 3.47Å |
| 1675 | T | 37.2 | Very low | 33.8 | Very low | 74 Ų | 74 | 104.7 Ų | 104.7 | 45% | 0.454 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72.3 | -29.9 | 176.1 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | Q1671 H1672 W1673 L1677 S1678 | Q1671-T1675 PolarHBondContact O-N 3.35Å; Q1671-T1675 VanDerWaalsContact O-N 3.14Å; Q1671-T1675 PolarHBondContact O-OG1 3.09Å; H1672-T1675 PolarHBondContact O-OG1 2.78Å; W1673-T1675 VanDerWaalsContact C-N 3.31Å; W1673-T1675 PolarHBondContact O-N 3.27Å; T1675-L1677 VanDerWaalsContact C-N 3.35Å; T1675-S1678 PolarHBondContact O-OG 3.44Å |
| 1676 | K | 36.5 | Very low | 33.4 | Very low | 150 Ų | 150 | 110.9 Ų | 110.9 | 65% | 0.652 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -76.8 | -23 | 174.2 | -126.8 | 178.1 | -177.1 | -177.4 | 0 | 113.2 | H1672 W1673 | H1672-K1676 PolarHBondContact O-N 3.48Å; W1673-K1676 PolarHBondContact O-N 3.48Å; W1673-K1676 VanDerWaalsContact O-N 3.16Å |
| 1677 | L | 31 | Very low | 32.8 | Very low | 114 Ų | 114 | 114.3 Ų | 114.3 | 60% | 0.597 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -75.8 | -29 | 173.2 | -79.5 | 163.6 | 0 | 0 | 0 | 112.9 | W1673 V1674 T1675 D1679 | W1673-L1677 WeakPolarHBondContact O-CB 3.39Å; W1673-L1677 WeakPolarHBondContact O-CG 3.44Å; W1673-L1677 PolarHBondContact O-N 2.97Å; V1674-L1677 PolarHBondContact O-N 3.48Å; T1675-L1677 VanDerWaalsContact C-N 3.35Å; L1677-D1679 VanDerWaalsContact C-N 3.35Å |
| 1678 | S | 36 | Very low | 32.5 | Very low | 73 Ų | 73 | 115.1 Ų | 115.1 | 51% | 0.51 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.2 | -35.5 | 174 | 49.3 | 0 | 0 | 0 | 0 | 113 | V1674 T1675 I1680 A1681 | V1674-S1678 PolarHBondContact O-N 3.47Å; T1675-S1678 PolarHBondContact O-OG 3.44Å; S1678-I1680 VanDerWaalsContact C-N 3.29Å; S1678-I1680 PolarHBondContact O-N 3.26Å; S1678-A1681 WeakPolarHBondContact O-CB 3.41Å; S1678-A1681 PolarHBondContact O-N 3.14Å |
| 1679 | D | 38.2 | Very low | 31.9 | Very low | 135 Ų | 135 | 117.2 Ų | 117.2 | 72% | 0.722 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -16.5 | -176.8 | -66.9 | 0.7 | 0 | 0 | 0 | 113.3 | L1677 | L1677-D1679 VanDerWaalsContact C-N 3.35Š|
| 1680 | I | 32.8 | Very low | 31.5 | Very low | 115 Ų | 115 | 117 Ų | 117 | 59% | 0.59 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -11 | 179.1 | -65.1 | 172.6 | 0 | 0 | 0 | 111.7 | S1678 D1682 | S1678-I1680 VanDerWaalsContact C-N 3.29Å; S1678-I1680 PolarHBondContact O-N 3.26Å; I1680-D1682 PolarHBondContact O-N 3.31Å; I1680-D1682 VanDerWaalsContact O-N 3.12Å |
| 1681 | A | 30.2 | Very low | 31.1 | Very low | 81 Ų | 81 | 121.8 Ų | 121.8 | 67% | 0.669 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -13.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116 | S1678 | S1678-A1681 WeakPolarHBondContact O-CB 3.41Å; S1678-A1681 PolarHBondContact O-N 3.14Å |
| 1682 | D | 30.9 | Very low | 30.7 | Very low | 138 Ų | 138 | 124.1 Ų | 124.1 | 74% | 0.738 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 3.1 | -174.8 | -105.8 | -23.6 | 0 | 0 | 0 | 114.9 | I1680 | I1680-D1682 PolarHBondContact O-N 3.31Å; I1680-D1682 VanDerWaalsContact O-N 3.12Å |
| 1683 | V | 29.4 | Very low | 30.4 | Very low | 118 Ų | 118 | 124.3 Ų | 124.3 | 72% | 0.715 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -89 | 116.7 | 175 | -175.6 | 0 | 0 | 0 | 0 | 110.6 | T1685 | V1683-T1685 PolarHBondContact O-N 3.35Š|
| 1684 | P | 29.6 | Very low | 30.3 | Very low | 99 Ų | 99 | 125 Ų | 125 | 64% | 0.643 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 131.7 | -168.3 | 26.4 | -34.7 | 0 | 0 | 0 | 113.6 | K1686 | P1684-K1686 PolarHBondContact O-N 3.17Š|
| 1685 | T | 26.2 | Very low | 30.1 | Very low | 88 Ų | 88 | 126.2 Ų | 126.2 | 54% | 0.54 | 71% | 0.713 | S | S | . | * | P | Polyproline II helix | trans | -51.9 | 116.5 | -176 | 53.8 | 0 | 0 | 0 | 0 | 113.9 | G450 V1683 | G450-T1685 PolarHBondContact N-OG1 2.75Å; V1683-T1685 PolarHBondContact O-N 3.35Å |
| 1686 | K | 29 | Very low | 29.8 | Very low | 206 Ų | 206 | 128.9 Ų | 128.9 | 90% | 0.896 | 73% | 0.726 | S | S | * | * | trans | -110.8 | 126.1 | 151.1 | -86.9 | -170.3 | 173.3 | -176.2 | 0 | 108.9 | P1684 | P1684-K1686 PolarHBondContact O-N 3.17Š| ||
| 1687 | T | 25.3 | Very low | 29.4 | Very low | 127 Ų | 127 | 127.8 Ų | 127.8 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | trans | -65.4 | 133.4 | 178.1 | 48.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1688 | N | 26.5 | Very low | 29.3 | Very low | 149 Ų | 149 | 128.6 Ų | 128.6 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | -165.4 | 163.6 | 117 | -95.7 | 7.6 | 0 | 0 | 0 | 110.3 | |||||
| 1689 | S | 26.5 | Very low | 28.9 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | -72.1 | 136 | -167.1 | 43.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1690 | S | 27.5 | Very low | 28.3 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | trans | -155 | 139.4 | 153 | -66.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 1691 | Q | 26.5 | Very low | 27.9 | Very low | 164 Ų | 164 | 133.1 Ų | 133.1 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | trans | -86.6 | 154.6 | -173.6 | -82.5 | 172.4 | -106.1 | 0 | 0 | 113.4 | ||||
| 1692 | E | 27.9 | Very low | 27.8 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | trans | 50.7 | 101.9 | 147.8 | -72.5 | 148.3 | -129.4 | 0 | 0 | 118.7 | ||||
| 1693 | V | 26.6 | Very low | 27.5 | Very low | 131 Ų | 131 | 137 Ų | 137 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -135.3 | 105.6 | 152.6 | 176.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1694 | V | 29.1 | Very low | 27.3 | Very low | 201 Ų | 201 | 138.7 Ų | 138.7 | 100% | 1.218 | 78% | 0.782 | S | S | * | * | trans | 72.9 | 0 | -166.8 | -168.2 | 0 | 0 | 0 | 0 | 113.6 |
Retrieved 1,694 of 1,694 residues in 899.9 ms
(Link to these results)