| 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 | 25.6 | Very low | 27.5 | Very low | 238 Ų | 238 | 144.8 Ų | 144.8 | 100% | 1.172 | 87% | 0.871 | S | S | * | * | 0 | 154.5 | 0 | -67.7 | 177.5 | 179.2 | 0 | 0 | 107.9 | |||||
| 2 | N | 26.2 | Very low | 27.8 | Very low | 156 Ų | 156 | 145.8 Ų | 145.8 | 83% | 0.834 | 87% | 0.866 | S | S | * | * | trans | 74.4 | 142.8 | -174.3 | -62.8 | -0.8 | 0 | 0 | 0 | 117.6 | ||||
| 3 | S | 26.6 | Very low | 28 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 88% | 0.881 | 85% | 0.853 | S | S | * | * | trans | 53 | 115.2 | 168.3 | 56.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 4 | S | 26.3 | Very low | 28.1 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 89% | 0.888 | 85% | 0.848 | S | S | * | * | trans | -136.5 | 151.7 | 164.3 | 52 | 0 | 0 | 0 | 0 | 109 | ||||
| 5 | A | 27.5 | Very low | 28.2 | Very low | 95 Ų | 95 | 141.6 Ų | 141.6 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | trans | -137.4 | 155.5 | -163.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 6 | F | 23.2 | Very low | 28.3 | Very low | 206 Ų | 206 | 144.4 Ų | 144.4 | 90% | 0.904 | 84% | 0.839 | S | S | * | * | trans | 5.4 | 99.3 | 163.2 | -69.6 | -90.4 | 0 | 0 | 0 | 119.7 | ||||
| 7 | T | 26.3 | Very low | 28.3 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 84% | 0.84 | 84% | 0.835 | S | S | * | * | -155.6 | 137 | 121.8 | 41.6 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 8 | N | 33.9 | Very low | 28.5 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 89% | 0.893 | 84% | 0.836 | S | S | * | * | trans | -154.8 | 137.1 | 161.5 | -136 | 20.3 | 0 | 0 | 0 | 109.8 | ||||
| 9 | D | 27 | Very low | 28.6 | Very low | 159 Ų | 159 | 149.3 Ų | 149.3 | 85% | 0.85 | 84% | 0.836 | S | S | * | * | trans | -99.1 | 145.2 | 178.8 | -163.3 | -1.2 | 0 | 0 | 0 | 109.1 | ||||
| 10 | S | 33.3 | Very low | 28.7 | Very low | 102 Ų | 102 | 148.9 Ų | 148.9 | 71% | 0.713 | 83% | 0.827 | S | S | * | * | trans | -141.7 | 99.2 | -174 | 62.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 11 | G | 27.3 | Very low | 28.9 | Very low | 80 Ų | 80 | 147.9 Ų | 147.9 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | trans | -61.4 | 149.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 12 | I | 30.5 | Very low | 29.3 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | trans | -92.7 | 141.1 | 174.6 | -62.5 | 171.8 | 0 | 0 | 0 | 107.8 | ||||
| 13 | D | 31.1 | Very low | 29.7 | Very low | 131 Ų | 131 | 144.9 Ų | 144.9 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | -97.2 | 114.3 | -176.2 | -173 | -24.6 | 0 | 0 | 0 | 110.2 | S15 | D13-S15 PolarHBondContact O-N 3.06Å; D13-S15 VanDerWaalsContact OD1-CB 3.26Å; D13-S15 WeakPolarHBondContact OD1-CB 3.26Å; D13-S15 PolarHBondContact OD1-N 2.67Å; D13-S15 PolarHBondContact OD1-OG 3.39Å | ||
| 14 | D | 28.7 | Very low | 30.4 | Very low | 148 Ų | 148 | 145.8 Ų | 145.8 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -79.1 | 12.6 | -172.5 | -78.5 | -42.1 | 0 | 0 | 0 | 114.5 | Q16 | D14-Q16 PolarHBondContact O-N 2.86Š| ||
| 15 | S | 29.9 | Very low | 31.6 | Very low | 96 Ų | 96 | 143.7 Ų | 143.7 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 9.9 | -169.1 | 58 | 0 | 0 | 0 | 0 | 117.8 | D13 | D13-S15 PolarHBondContact O-N 3.06Å; D13-S15 VanDerWaalsContact OD1-CB 3.26Å; D13-S15 WeakPolarHBondContact OD1-CB 3.26Å; D13-S15 PolarHBondContact OD1-N 2.67Å; D13-S15 PolarHBondContact OD1-OG 3.39Å |
| 16 | Q | 30.1 | Very low | 33.7 | Very low | 187 Ų | 187 | 140.1 Ų | 140.1 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | 2.3 | -176.6 | -70.7 | -161.4 | -11.4 | 0 | 0 | 116.5 | D14 | D14-Q16 PolarHBondContact O-N 2.86Š|
| 17 | L | 28.4 | Very low | 36.3 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | trans | -100.2 | 17.5 | -164.1 | -138.3 | 98.6 | 0 | 0 | 0 | 118.2 | ||||
| 18 | Y | 31.5 | Very low | 38.9 | Very low | 218 Ų | 218 | 133.5 Ų | 133.5 | 86% | 0.855 | 70% | 0.701 | S | S | * | * | trans | -135.9 | 82.9 | -179.6 | -73 | -73.8 | 0 | 0 | 0 | 115 | ||||
| 19 | L | 29.7 | Very low | 41.3 | Very low | 160 Ų | 160 | 131.3 Ų | 131.3 | 84% | 0.838 | 68% | 0.68 | S | S | * | * | trans | -138.4 | 85.8 | 162.2 | -74.3 | 177.3 | 0 | 0 | 0 | 110.3 | ||||
| 20 | Q | 30.4 | Very low | 44.4 | Very low | 141 Ų | 141 | 124.3 Ų | 124.3 | 66% | 0.659 | 64% | 0.643 | S | S | * | * | trans | -76.3 | 150.8 | 167 | -73.1 | -172.5 | -14.2 | 0 | 0 | 110.5 | Q22 E1249 | Q20-Q22 PolarHBondContact O-N 3.01Å; Q20-Q22 VanDerWaalsContact O-N 3.15Å; Q20-E1249 PolarHBondContact NE2-OE1 3.33Å | ||
| 21 | P | 34.6 | Very low | 47.3 | Very low | 128 Ų | 128 | 120 Ų | 120 | 83% | 0.831 | 61% | 0.612 | S | S | * | * | trans | -78.5 | 103.5 | -174 | -8.9 | 26.7 | 0 | 0 | 0 | 111.7 | ||||
| 22 | Q | 32.7 | Very low | 50.5 | Low | 139 Ų | 139 | 118 Ų | 118 | 65% | 0.65 | 58% | 0.58 | S | S | * | * | trans | -73.1 | 129.5 | 161.9 | -67.2 | 170.9 | -49.4 | 0 | 0 | 109.1 | Q20 Y24 | Q20-Q22 PolarHBondContact O-N 3.01Å; Q20-Q22 VanDerWaalsContact O-N 3.15Å; Q22-Y24 HydrophobicContact CB-CD2 4.2Å; Q22-Y24 PolarHBondContact O-N 2.59Å | ||
| 23 | E | 34.4 | Very low | 53.5 | Low | 193 Ų | 193 | 112.9 Ų | 112.9 | 90% | 0.902 | 56% | 0.555 | S | S | * | * | trans | -73.7 | 48.4 | 176.2 | -68 | -167.4 | 122.7 | 0 | 0 | 113.4 | V25 | E23-V25 PolarHBondContact O-N 3.19Š| ||
| 24 | Y | 42.8 | Very low | 56.6 | Low | 145 Ų | 145 | 106.7 Ų | 106.7 | 57% | 0.569 | 52% | 0.522 | S | S | * | . | trans | -65.8 | 116.1 | 152.2 | -83.7 | -90.4 | 0 | 0 | 0 | 107.3 | Q22 G26 | Q22-Y24 HydrophobicContact CB-CD2 4.2Å; Q22-Y24 PolarHBondContact O-N 2.59Å; Y24-G26 WeakPolarHBondContact O-CA 3.5Å; Y24-G26 PolarHBondContact O-N 3.38Å | ||
| 25 | V | 49.8 | Very low | 60 | Low | 82 Ų | 82 | 99.6 Ų | 99.6 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | trans | -47.1 | 114.5 | 178.5 | -163.1 | 0 | 0 | 0 | 0 | 108.8 | E23 W27 K28 | E23-V25 PolarHBondContact O-N 3.19Å; V25-W27 PolarHBondContact O-N 3.11Å; V25-K28 WeakPolarHBondContact O-CB 3.3Å; V25-K28 PolarHBondContact O-N 2.63Å | ||
| 26 | G | 71.8 | Confident | 63.2 | Low | 20 Ų | 20 | 96 Ų | 96 | 21% | 0.206 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -51.4 | -41 | -155.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y24 K28 R29 I30 | Y24-G26 WeakPolarHBondContact O-CA 3.5Å; Y24-G26 PolarHBondContact O-N 3.38Å; G26-K28 VanDerWaalsContact C-N 3.32Å; G26-K28 PolarHBondContact O-N 3.27Å; G26-R29 PolarHBondContact O-N 3.16Å; G26-R29 VanDerWaalsContact O-N 3.1Å; G26-I30 WeakPolarHBondContact O-CG1 3.18Å; G26-I30 PolarHBondContact O-N 2.89Å |
| 27 | W | 79.4 | Confident | 66.3 | Low | 106 Ų | 106 | 89.8 Ų | 89.8 | 40% | 0.402 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -55.5 | -39 | 176.7 | 77.5 | -102.8 | 0 | 0 | 0 | 114.1 | V25 R29 I30 Q31 D243 D245 | V25-W27 PolarHBondContact O-N 3.11Å; W27-R29 VanDerWaalsContact C-N 3.33Å; W27-R29 PolarHBondContact O-N 2.89Å; W27-I30 PolarHBondContact O-N 3.4Å; W27-Q31 WeakPolarHBondContact O-CB 3.22Å; W27-Q31 PolarHBondContact O-N 2.85Å; W27-D243 WeakPolarHBondContact CA-O 3.26Å; W27-D243 WeakPolarHBondContact CB-O 3.17Å; W27-D243 PolarHBondContact N-O 3.23Å; W27-D245 HydrophobicContact CB-CB 4.12Å; W27-D245 HydrophobicContact CE3-CB 4.41Å |
| 28 | K | 79.1 | Confident | 69.6 | Low | 99 Ų | 99 | 83.1 Ų | 83.1 | 43% | 0.43 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 178.1 | -75.8 | -172.2 | 175.7 | -177.6 | 0 | 111.4 | V25 G26 Q31 Q32 | V25-K28 WeakPolarHBondContact O-CB 3.3Å; V25-K28 PolarHBondContact O-N 2.63Å; G26-K28 VanDerWaalsContact C-N 3.32Å; G26-K28 PolarHBondContact O-N 3.27Å; K28-Q31 PolarHBondContact O-N 3.25Å; K28-Q32 WeakPolarHBondContact O-CB 3.46Å; K28-Q32 PolarHBondContact O-N 2.71Å |
| 29 | R | 85.1 | Confident | 72.7 | Confident | 120 Ų | 120 | 72.8 Ų | 72.8 | 45% | 0.453 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.9 | -43.9 | 179 | -172.4 | 177.1 | -178.7 | -176.3 | -0.1 | 110.6 | G26 W27 Q31 Q32 N33 | G26-R29 PolarHBondContact O-N 3.16Å; G26-R29 VanDerWaalsContact O-N 3.1Å; W27-R29 VanDerWaalsContact C-N 3.33Å; W27-R29 PolarHBondContact O-N 2.89Å; R29-Q31 VanDerWaalsContact C-N 3.28Å; R29-Q31 PolarHBondContact O-N 2.83Å; R29-Q32 PolarHBondContact O-N 3.34Å; R29-N33 VanDerWaalsContact O-CB 3.24Å; R29-N33 WeakPolarHBondContact O-CB 3.46Å; R29-N33 PolarHBondContact O-N 2.81Å; R29-N33 PolarHBondContact O-OD1 2.95Å |
| 30 | I | 91.6 | Very high | 75.9 | Confident | 12 Ų | 12 | 66.6 Ų | 66.6 | 6% | 0.062 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.5 | -41.1 | 174.3 | -64.4 | 165.5 | 0 | 0 | 0 | 110.5 | G26 W27 T34 I234 E238 D243 V244 | G26-I30 WeakPolarHBondContact O-CG1 3.18Å; G26-I30 PolarHBondContact O-N 2.89Å; W27-I30 PolarHBondContact O-N 3.4Å; I30-T34 WeakPolarHBondContact O-CB 3.48Å; I30-T34 PolarHBondContact O-N 2.89Å; I30-T34 PolarHBondContact O-OG1 2.76Å; I30-I234 HydrophobicContact CG2-CD1 3.75Å; I30-I234 HydrophobicContact CG2-CG1 4.26Å; I30-E238 HydrophobicContact CG1-CB 4.3Å; I30-E238 HydrophobicContact CG1-CG 4.25Å; I30-E238 HydrophobicContact CG2-CB 4.22Å; I30-D243 HydrophobicContact CD1-CB 4.27Å; I30-V244 HydrophobicContact CG2-CG2 4.19Å |
| 31 | Q | 94.3 | Very high | 78.9 | Confident | 13 Ų | 13 | 63 Ų | 63 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.6 | -46.8 | 177.3 | -168.4 | 177.6 | 99.5 | 0 | 0 | 113 | W27 K28 R29 N33 T34 F35 D245 S248 | W27-Q31 WeakPolarHBondContact O-CB 3.22Å; W27-Q31 PolarHBondContact O-N 2.85Å; K28-Q31 PolarHBondContact O-N 3.25Å; R29-Q31 VanDerWaalsContact C-N 3.28Å; R29-Q31 PolarHBondContact O-N 2.83Å; Q31-N33 PolarHBondContact O-N 2.87Å; Q31-T34 PolarHBondContact O-N 2.85Å; Q31-F35 HydrophobicContact CG-CD1 4.17Å; Q31-F35 HydrophobicContact CG-CD2 4.06Å; Q31-F35 HydrophobicContact CG-CE1 3.75Å; Q31-F35 HydrophobicContact CG-CE2 3.61Å; Q31-F35 HydrophobicContact CG-CG 4.31Å; Q31-F35 HydrophobicContact CG-CZ 3.45Å; Q31-F35 VanDerWaalsContact CG-CZ 3.45Å; Q31-F35 VanDerWaalsContact O-CB 3.29Å; Q31-F35 WeakPolarHBondContact O-CB 3.28Å; Q31-F35 WeakPolarHBondContact O-CD1 3.33Å; Q31-F35 VanDerWaalsContact O-CG 3.29Å; Q31-F35 WeakPolarHBondContact O-CG 3.42Å; Q31-F35 PolarHBondContact O-N 2.8Å; Q31-D245 PolarHBondContact NE2-OD2 2.91Å; Q31-S248 WeakPolarHBondContact CA-OG 3.45Å; Q31-S248 WeakPolarHBondContact CB-OG 3.3Å; Q31-S248 PolarHBondContact N-OG 2.93Å |
| 32 | Q | 93.9 | Very high | 81.6 | Confident | 36 Ų | 36 | 59.6 Ų | 59.6 | 17% | 0.168 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 175.5 | -174.2 | 175.3 | 5.8 | 0 | 0 | 111.1 | K28 R29 T36 L120 L124 | K28-Q32 WeakPolarHBondContact O-CB 3.46Å; K28-Q32 PolarHBondContact O-N 2.71Å; R29-Q32 PolarHBondContact O-N 3.34Å; Q32-T36 WeakPolarHBondContact O-CB 3.46Å; Q32-T36 PolarHBondContact O-N 3.41Å; Q32-T36 PolarHBondContact O-OG1 3.14Å; Q32-L120 HydrophobicContact CG-CD1 4.46Å; Q32-L124 HydrophobicContact CB-CD2 4.37Å |
| 33 | N | 94.5 | Very high | 84.6 | Confident | 50 Ų | 50 | 53 Ų | 53 | 27% | 0.267 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.3 | -52.3 | 173.1 | -70.4 | -4.1 | 0 | 0 | 0 | 110.6 | R29 Q31 F35 T36 R37 E238 | R29-N33 VanDerWaalsContact O-CB 3.24Å; R29-N33 WeakPolarHBondContact O-CB 3.46Å; R29-N33 PolarHBondContact O-N 2.81Å; R29-N33 PolarHBondContact O-OD1 2.95Å; Q31-N33 PolarHBondContact O-N 2.87Å; N33-F35 PolarHBondContact O-N 2.8Å; N33-T36 PolarHBondContact O-N 3.06Å; N33-R37 WeakPolarHBondContact O-CG 3.3Å; N33-R37 PolarHBondContact O-N 2.97Å; N33-E238 PolarHBondContact ND2-OE1 3.32Å |
| 34 | T | 97.3 | Very high | 87 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.4 | -43.7 | -176.4 | -58.2 | 0 | 0 | 0 | 0 | 112.6 | I30 Q31 R37 W38 L233 T251 | I30-T34 WeakPolarHBondContact O-CB 3.48Å; I30-T34 PolarHBondContact O-N 2.89Å; I30-T34 PolarHBondContact O-OG1 2.76Å; Q31-T34 PolarHBondContact O-N 2.85Å; T34-R37 PolarHBondContact O-N 2.92Å; T34-W38 WeakPolarHBondContact O-CB 3.48Å; T34-W38 PolarHBondContact O-N 2.89Å; T34-L233 VanDerWaalsContact CA-O 3.28Å; T34-L233 WeakPolarHBondContact CA-O 3.36Å; T34-L233 HydrophobicContact CG2-CB 4.31Å; T34-T251 HydrophobicContact CG2-CG2 4.03Å |
| 35 | F | 98.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.5 | -36.9 | 177.8 | -70.6 | 9.4 | 0 | 0 | 0 | 111.1 | Q31 N33 W38 V39 L53 L124 I127 W128 I131 L247 T251 | Q31-F35 HydrophobicContact CG-CD1 4.17Å; Q31-F35 HydrophobicContact CG-CD2 4.06Å; Q31-F35 HydrophobicContact CG-CE1 3.75Å; Q31-F35 HydrophobicContact CG-CE2 3.61Å; Q31-F35 HydrophobicContact CG-CG 4.31Å; Q31-F35 HydrophobicContact CG-CZ 3.45Å; Q31-F35 VanDerWaalsContact CG-CZ 3.45Å; Q31-F35 VanDerWaalsContact O-CB 3.29Å; Q31-F35 WeakPolarHBondContact O-CB 3.28Å; Q31-F35 WeakPolarHBondContact O-CD1 3.33Å; Q31-F35 VanDerWaalsContact O-CG 3.29Å; Q31-F35 WeakPolarHBondContact O-CG 3.42Å; Q31-F35 PolarHBondContact O-N 2.8Å; N33-F35 PolarHBondContact O-N 2.8Å; F35-W38 PolarHBondContact O-N 2.86Å; F35-V39 WeakPolarHBondContact O-CG2 3.25Å; F35-V39 PolarHBondContact O-N 2.87Å; F35-L53 HydrophobicContact CB-CD2 4.03Å; F35-L124 HydrophobicContact CB-CD2 4.46Å; F35-L124 HydrophobicContact CD2-CB 4.45Å; F35-L124 HydrophobicContact CD2-CD2 3.6Å; F35-L124 HydrophobicContact CE2-CB 4.4Å; F35-L124 HydrophobicContact CE2-CD2 4.23Å; F35-L124 WeakPolarHBondContact CE2-O 3.19Å; F35-L124 HydrophobicContact CG-CD2 4.39Å; F35-I127 HydrophobicContact CB-CG2 3.82Å; F35-I127 HydrophobicContact CD2-CB 4.11Å; F35-I127 HydrophobicContact CD2-CG2 3.96Å; F35-I127 HydrophobicContact CG-CG2 4.02Å; F35-W128 HydrophobicContact CE1-CE3 4.3Å; F35-W128 HydrophobicContact CE2-CB 3.8Å; F35-W128 HydrophobicContact CZ-CB 3.91Å; F35-W128 HydrophobicContact CZ-CD2 4.45Å; F35-W128 AromaticContact CZ-CE3 3.92Å; F35-W128 HydrophobicContact CZ-CE3 3.92Å; F35-W128 HydrophobicContact CZ-CG 4.49Å; F35-I131 HydrophobicContact CD1-CD1 3.45Å; F35-I131 VanDerWaalsContact CD1-CD1 3.45Å; F35-I131 HydrophobicContact CD2-CD1 4.34Å; F35-I131 HydrophobicContact CE1-CD1 3.64Å; F35-I131 HydrophobicContact CE2-CD1 4.5Å; F35-I131 HydrophobicContact CG-CD1 3.85Å; F35-I131 HydrophobicContact CZ-CD1 4.18Å; F35-L247 HydrophobicContact CZ-CB 4.13Å; F35-T251 WeakPolarHBondContact CE1-OG1 3.31Å |
| 36 | T | 97.1 | Very high | 90.4 | Very high | 20 Ų | 20 | 49.9 Ų | 49.9 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.6 | -41.6 | 174.7 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | Q32 N33 N40 V50 | Q32-T36 WeakPolarHBondContact O-CB 3.46Å; Q32-T36 PolarHBondContact O-N 3.41Å; Q32-T36 PolarHBondContact O-OG1 3.14Å; N33-T36 PolarHBondContact O-N 3.06Å; T36-N40 WeakPolarHBondContact O-CB 3.43Å; T36-N40 PolarHBondContact O-N 3.23Å; T36-N40 PolarHBondContact O-ND2 2.95Å; T36-N40 VanDerWaalsContact O-ND2 3.08Å; T36-V50 HydrophobicContact CG2-CG1 4.14Å |
| 37 | R | 96.4 | Very high | 91 | Very high | 56 Ų | 56 | 58.1 Ų | 58.1 | 21% | 0.211 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 172.4 | -65.4 | -164.8 | -156.6 | 82.9 | 1.3 | 111.2 | N33 T34 N40 E41 K232 L233 E235 E238 | N33-R37 WeakPolarHBondContact O-CG 3.3Å; N33-R37 PolarHBondContact O-N 2.97Å; T34-R37 PolarHBondContact O-N 2.92Å; R37-N40 PolarHBondContact O-N 3.25Å; R37-E41 PolarHBondContact O-N 2.85Å; R37-K232 VanDerWaalsContact CD-O 3.26Å; R37-K232 WeakPolarHBondContact CD-O 3.43Å; R37-L233 HydrophobicContact CB-CB 4.38Å; R37-L233 HydrophobicContact CB-CD2 4.11Å; R37-L233 VanDerWaalsContact CD-O 3.31Å; R37-L233 WeakPolarHBondContact CD-O 3.07Å; R37-L233 PolarHBondContact NH1-O 2.78Å; R37-E235 IonicContact CZ-OE1 3.81Å; R37-E235 IonicContact NE-OE1 2.64Å; R37-E235 PolarHBondContact NE-OE1 3.01Å; R37-E235 VanDerWaalsContact NH2-CG 3.29Å; R37-E235 IonicContact NH2-OE1 2.67Å; R37-E235 PolarHBondContact NH2-OE1 2.86Å; R37-E238 IonicContact CZ-OE2 2.66Å; R37-E238 VanDerWaalsContact CZ-OE2 3.3Å; R37-E238 IonicContact NH1-OE1 3.56Å; R37-E238 IonicContact NH1-OE2 3.49Å; R37-E238 PolarHBondContact NH1-OE2 3.12Å; R37-E238 IonicContact NH2-OE1 2.7Å; R37-E238 PolarHBondContact NH2-OE1 3.12Å; R37-E238 IonicContact NH2-OE2 2.65Å; R37-E238 PolarHBondContact NH2-OE2 2.89Å |
| 38 | W | 96.9 | Very high | 91.5 | Very high | 8 Ų | 8 | 56 Ų | 56 | 3% | 0.03 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61 | -49.2 | 176.4 | -177.3 | 91.8 | 0 | 0 | 0 | 112.2 | T34 F35 N40 E41 H42 L70 I127 L130 I131 S135 L233 T251 | T34-W38 WeakPolarHBondContact O-CB 3.48Å; T34-W38 PolarHBondContact O-N 2.89Å; F35-W38 PolarHBondContact O-N 2.86Å; W38-N40 VanDerWaalsContact C-N 3.3Å; W38-N40 PolarHBondContact O-N 2.86Å; W38-E41 PolarHBondContact O-N 3.41Å; W38-H42 AromaticContact CD2-CD2 3.82Å; W38-H42 AromaticContact CD2-NE2 3.89Å; W38-H42 AromaticContact CE2-CD2 3.7Å; W38-H42 AromaticContact CE2-NE2 3.3Å; W38-H42 VanDerWaalsContact CE2-NE2 3.3Å; W38-H42 AromaticContact CZ2-CD2 3.88Å; W38-H42 AromaticContact CZ2-NE2 3.46Å; W38-H42 WeakPolarHBondContact CZ2-NE2 3.38Å; W38-H42 AromaticContact NE1-NE2 3.5Å; W38-H42 PolarHBondContact O-CD2 3.02Å; W38-H42 PolarHBondContact O-N 3.01Å; W38-L70 HydrophobicContact CH2-CD1 3.62Å; W38-L70 HydrophobicContact CH2-CD2 3.61Å; W38-L70 HydrophobicContact CH2-CG 4.28Å; W38-L70 HydrophobicContact CZ2-CD2 3.84Å; W38-L70 HydrophobicContact CZ3-CD1 4.15Å; W38-I127 HydrophobicContact CE3-CG2 4.28Å; W38-I127 HydrophobicContact CZ3-CG2 4.41Å; W38-L130 HydrophobicContact CH2-CB 3.95Å; W38-L130 HydrophobicContact CZ3-CB 4.22Å; W38-I131 HydrophobicContact CD2-CD1 4.17Å; W38-I131 HydrophobicContact CD2-CG1 3.55Å; W38-I131 HydrophobicContact CE3-CD1 4.27Å; W38-I131 HydrophobicContact CE3-CG1 3.76Å; W38-I131 HydrophobicContact CG-CD1 4.35Å; W38-I131 HydrophobicContact CG-CG1 4.07Å; W38-I131 HydrophobicContact CH2-CG1 4Å; W38-I131 HydrophobicContact CZ2-CB 4.44Å; W38-I131 HydrophobicContact CZ2-CG1 3.8Å; W38-I131 HydrophobicContact CZ3-CG1 3.98Å; W38-S135 WeakPolarHBondContact CZ2-OG 3.16Å; W38-S135 PolarHBondContact NE1-OG 2.88Å; W38-L233 HydrophobicContact CB-CD1 4.02Å; W38-L233 HydrophobicContact CG-CD1 4.27Å; W38-T251 HydrophobicContact CB-CG2 4.21Å; W38-T251 HydrophobicContact CG-CG2 4.14Å |
| 39 | V | 97.6 | Very high | 92 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.8 | -44 | 176.2 | 167 | 0 | 0 | 0 | 0 | 111 | F35 H42 L43 V50 L53 L66 I127 | F35-V39 WeakPolarHBondContact O-CG2 3.25Å; F35-V39 PolarHBondContact O-N 2.87Å; V39-H42 PolarHBondContact O-N 3.03Å; V39-L43 HydrophobicContact CG1-CD1 3.62Å; V39-L43 HydrophobicContact CG1-CG 4.29Å; V39-L43 WeakPolarHBondContact O-CG 3.42Å; V39-L43 PolarHBondContact O-N 3.36Å; V39-V50 HydrophobicContact CG1-CB 4.28Å; V39-V50 HydrophobicContact CG1-CG2 3.79Å; V39-L53 HydrophobicContact CG2-CD1 4.13Å; V39-L66 HydrophobicContact CG1-CD1 4.35Å; V39-L66 HydrophobicContact CG1-CD2 4.08Å; V39-L66 HydrophobicContact CG2-CD2 3.86Å; V39-I127 HydrophobicContact CG2-CD1 4.07Å; V39-I127 HydrophobicContact CG2-CG2 4.03Å |
| 40 | N | 96.7 | Very high | 92.4 | Very high | 30 Ų | 30 | 53 Ų | 53 | 16% | 0.16 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.5 | -38.6 | -179 | -81.3 | -39.8 | 0 | 0 | 0 | 114 | T36 R37 W38 H42 L43 R44 R49 V50 | T36-N40 WeakPolarHBondContact O-CB 3.43Å; T36-N40 PolarHBondContact O-N 3.23Å; T36-N40 PolarHBondContact O-ND2 2.95Å; T36-N40 VanDerWaalsContact O-ND2 3.08Å; R37-N40 PolarHBondContact O-N 3.25Å; W38-N40 VanDerWaalsContact C-N 3.3Å; W38-N40 PolarHBondContact O-N 2.86Å; N40-H42 VanDerWaalsContact C-N 3.27Å; N40-H42 PolarHBondContact O-N 2.84Å; N40-L43 PolarHBondContact O-N 3.16Å; N40-R44 WeakPolarHBondContact O-CB 3.47Å; N40-R44 PolarHBondContact O-N 2.83Å; N40-R49 WeakPolarHBondContact OD1-CA 3.47Å; N40-R49 WeakPolarHBondContact OD1-CG 3.35Å; N40-V50 PolarHBondContact ND2-O 3.19Å; N40-V50 PolarHBondContact OD1-N 3.37Å; N40-V50 PolarHBondContact OD1-O 3.29Å |
| 41 | E | 93.1 | Very high | 92.3 | Very high | 66 Ų | 66 | 57.5 Ų | 57.5 | 31% | 0.308 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.5 | -29.9 | 178.5 | -174.3 | 60.7 | -163.4 | 0 | 0 | 112.3 | R37 W38 R44 P231 L233 | R37-E41 PolarHBondContact O-N 2.85Å; W38-E41 PolarHBondContact O-N 3.41Å; E41-R44 WeakPolarHBondContact O-CB 3.43Å; E41-R44 IonicContact OE1-CZ 2.84Å; E41-R44 IonicContact OE1-NE 2.94Å; E41-R44 IonicContact OE1-NH1 3.6Å; E41-R44 PolarHBondContact OE1-NH1 3.17Å; E41-R44 WeakPolarHBondContact OE2-CD 3.17Å; E41-R44 IonicContact OE2-CZ 2.7Å; E41-R44 IonicContact OE2-NE 2.95Å; E41-R44 IonicContact OE2-NH1 2.9Å; E41-R44 PolarHBondContact OE2-NH1 2.93Å; E41-P231 HydrophobicContact CG-CG 3.99Å; E41-L233 HydrophobicContact CB-CD2 4.41Å |
| 42 | H | 91.7 | Very high | 92.1 | Very high | 56 Ų | 56 | 59.4 Ų | 59.4 | 26% | 0.259 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -72.2 | -46.4 | 170.3 | -69 | -67.6 | 0 | 0 | 0 | 112.2 | W38 V39 N40 R44 L66 I69 | W38-H42 AromaticContact CD2-CD2 3.82Å; W38-H42 AromaticContact CD2-NE2 3.89Å; W38-H42 AromaticContact CE2-CD2 3.7Å; W38-H42 AromaticContact CE2-NE2 3.3Å; W38-H42 VanDerWaalsContact CE2-NE2 3.3Å; W38-H42 AromaticContact CZ2-CD2 3.88Å; W38-H42 AromaticContact CZ2-NE2 3.46Å; W38-H42 WeakPolarHBondContact CZ2-NE2 3.38Å; W38-H42 AromaticContact NE1-NE2 3.5Å; W38-H42 PolarHBondContact O-CD2 3.02Å; W38-H42 PolarHBondContact O-N 3.01Å; V39-H42 PolarHBondContact O-N 3.03Å; N40-H42 VanDerWaalsContact C-N 3.27Å; N40-H42 PolarHBondContact O-N 2.84Å; H42-R44 VanDerWaalsContact C-N 3.28Å; H42-R44 PolarHBondContact O-N 3.2Å; H42-L66 HydrophobicContact CB-CD1 3.92Å; H42-I69 HydrophobicContact CB-CG2 4.19Å |
| 43 | L | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.2 | -21.3 | -179.8 | -67.7 | 173.8 | 0 | 0 | 0 | 114.1 | V39 N40 N45 V46 M48 V50 I62 K65 L66 I69 | V39-L43 HydrophobicContact CG1-CD1 3.62Å; V39-L43 HydrophobicContact CG1-CG 4.29Å; V39-L43 WeakPolarHBondContact O-CG 3.42Å; V39-L43 PolarHBondContact O-N 3.36Å; N40-L43 PolarHBondContact O-N 3.16Å; L43-N45 PolarHBondContact O-N 3.12Å; L43-V46 HydrophobicContact CD2-CG2 4.39Å; L43-V46 WeakPolarHBondContact O-CG2 3.34Å; L43-V46 PolarHBondContact O-N 3Å; L43-M48 CarbonylContact C-O 3.55Å; L43-M48 HydrophobicContact CB-CB 4.37Å; L43-M48 WeakPolarHBondContact CB-O 3.27Å; L43-M48 HydrophobicContact CD2-CB 4.35Å; L43-V50 HydrophobicContact CD1-CG2 4Å; L43-I62 HydrophobicContact CD1-CG2 3.55Å; L43-I62 HydrophobicContact CD2-CG2 4.31Å; L43-K65 HydrophobicContact CD2-CB 4.3Å; L43-K65 HydrophobicContact CD2-CG 4.06Å; L43-L66 HydrophobicContact CD2-CB 4.22Å; L43-L66 HydrophobicContact CG-CD1 4.5Å; L43-I69 HydrophobicContact CD2-CD1 4.15Å |
| 44 | R | 86.7 | Confident | 91.5 | Very high | 155 Ų | 155 | 58.3 Ų | 58.3 | 59% | 0.585 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -44.6 | -40.3 | 179.1 | -179.4 | 175.5 | 174.4 | 178.4 | -1.5 | 114.4 | N40 E41 H42 V46 | N40-R44 WeakPolarHBondContact O-CB 3.47Å; N40-R44 PolarHBondContact O-N 2.83Å; E41-R44 WeakPolarHBondContact O-CB 3.43Å; E41-R44 IonicContact OE1-CZ 2.84Å; E41-R44 IonicContact OE1-NE 2.94Å; E41-R44 IonicContact OE1-NH1 3.6Å; E41-R44 PolarHBondContact OE1-NH1 3.17Å; E41-R44 WeakPolarHBondContact OE2-CD 3.17Å; E41-R44 IonicContact OE2-CZ 2.7Å; E41-R44 IonicContact OE2-NE 2.95Å; E41-R44 IonicContact OE2-NH1 2.9Å; E41-R44 PolarHBondContact OE2-NH1 2.93Å; H42-R44 VanDerWaalsContact C-N 3.28Å; H42-R44 PolarHBondContact O-N 3.2Å; R44-V46 VanDerWaalsContact C-N 3.28Å; R44-V46 PolarHBondContact O-N 2.92Å |
| 45 | N | 78 | Confident | 91.2 | Very high | 140 Ų | 140 | 60.6 Ų | 60.6 | 75% | 0.749 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -76.6 | -10.3 | -176.8 | -66.9 | -61 | 0 | 0 | 0 | 114.4 | L43 | L43-N45 PolarHBondContact O-N 3.12Š|
| 46 | V | 85.7 | Confident | 91.1 | Very high | 60 Ų | 60 | 62.9 Ų | 62.9 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -115.8 | 13.3 | 178.8 | -60.5 | 0 | 0 | 0 | 0 | 113.3 | L43 R44 M48 K65 I69 | L43-V46 HydrophobicContact CD2-CG2 4.39Å; L43-V46 WeakPolarHBondContact O-CG2 3.34Å; L43-V46 PolarHBondContact O-N 3Å; R44-V46 VanDerWaalsContact C-N 3.28Å; R44-V46 PolarHBondContact O-N 2.92Å; V46-M48 HydrophobicContact CG2-CB 4.13Å; V46-M48 HydrophobicContact CG2-CG 4.25Å; V46-M48 HydrophobicContact CG2-SD 4.44Å; V46-M48 PolarHBondContact O-N 3Å; V46-K65 HydrophobicContact CG1-CD 4.41Å; V46-K65 HydrophobicContact CG2-CD 4.15Å; V46-K65 HydrophobicContact CG2-CG 3.8Å; V46-I69 HydrophobicContact CB-CD1 4.44Å; V46-I69 HydrophobicContact CG1-CD1 3.86Å; V46-I69 HydrophobicContact CG1-CG1 4.4Å; V46-I69 HydrophobicContact CG2-CD1 3.67Å |
| 47 | Q | 83.1 | Confident | 91 | Very high | 194 Ų | 194 | 61.9 Ų | 61.9 | 91% | 0.907 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 28.2 | -179.4 | -56.9 | -175.4 | -43.2 | 0 | 0 | 114.2 | ||
| 48 | M | 90.5 | Very high | 90.9 | Very high | 60 Ų | 60 | 59.8 Ų | 59.8 | 30% | 0.296 | 29% | 0.286 | S | S | . | . | trans | -108.1 | 156.3 | 171.3 | -66.7 | 179.1 | 63.2 | 0 | 0 | 109.9 | L43 V46 I62 K65 | L43-M48 CarbonylContact C-O 3.55Å; L43-M48 HydrophobicContact CB-CB 4.37Å; L43-M48 WeakPolarHBondContact CB-O 3.27Å; L43-M48 HydrophobicContact CD2-CB 4.35Å; V46-M48 HydrophobicContact CG2-CB 4.13Å; V46-M48 HydrophobicContact CG2-CG 4.25Å; V46-M48 HydrophobicContact CG2-SD 4.44Å; V46-M48 PolarHBondContact O-N 3Å; M48-I62 HydrophobicContact CE-CB 4.17Å; M48-I62 HydrophobicContact CE-CD1 4.46Å; M48-I62 HydrophobicContact CE-CG1 3.72Å; M48-I62 HydrophobicContact CE-CG2 4.31Å; M48-K65 HydrophobicContact CE-CB 4.21Å; M48-K65 HydrophobicContact CE-CG 4.46Å; M48-K65 HydrophobicContact SD-CB 4.07Å; M48-K65 HydrophobicContact SD-CD 4.49Å; M48-K65 HydrophobicContact SD-CG 3.7Å | ||
| 49 | R | 90.1 | Very high | 90.7 | Very high | 156 Ų | 156 | 61.6 Ų | 61.6 | 59% | 0.589 | 30% | 0.297 | S | S | * | . | trans | -147.7 | 151.1 | -177.7 | -164 | -177.6 | -177.9 | -142.3 | -7.5 | 109.4 | N40 D51 | N40-R49 WeakPolarHBondContact OD1-CA 3.47Å; N40-R49 WeakPolarHBondContact OD1-CG 3.35Å; R49-D51 IonicContact CZ-OD1 2.82Å; R49-D51 IonicContact CZ-OD2 2.74Å; R49-D51 IonicContact NE-OD1 3.71Å; R49-D51 IonicContact NE-OD2 3.72Å; R49-D51 VanDerWaalsContact NH1-CG 3.3Å; R49-D51 IonicContact NH1-OD1 3.85Å; R49-D51 PolarHBondContact NH1-OD1 3.2Å; R49-D51 IonicContact NH1-OD2 2.76Å; R49-D51 PolarHBondContact NH1-OD2 3.13Å; R49-D51 VanDerWaalsContact NH1-OD2 3.15Å; R49-D51 IonicContact NH2-OD1 2.6Å; R49-D51 PolarHBondContact NH2-OD1 2.8Å; R49-D51 VanDerWaalsContact NH2-OD1 3.13Å | ||
| 50 | V | 93.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -109.6 | 121.9 | 163.7 | 169.9 | 0 | 0 | 0 | 0 | 107 | T36 V39 N40 L43 L53 D56 L57 I62 | T36-V50 HydrophobicContact CG2-CG1 4.14Å; V39-V50 HydrophobicContact CG1-CB 4.28Å; V39-V50 HydrophobicContact CG1-CG2 3.79Å; N40-V50 PolarHBondContact ND2-O 3.19Å; N40-V50 PolarHBondContact OD1-N 3.37Å; N40-V50 PolarHBondContact OD1-O 3.29Å; L43-V50 HydrophobicContact CD1-CG2 4Å; V50-L53 HydrophobicContact CG1-CB 4.14Å; V50-L53 HydrophobicContact CG1-CD1 4.04Å; V50-D56 HydrophobicContact CG1-CB 4.22Å; V50-D56 HydrophobicContact CG2-CB 4.36Å; V50-L57 HydrophobicContact CG2-CD2 4.25Å; V50-I62 HydrophobicContact CG2-CD1 4.48Å; V50-I62 HydrophobicContact CG2-CG2 3.74Å | ||
| 51 | D | 89.3 | Confident | 90.5 | Very high | 107 Ų | 107 | 62.1 Ų | 62.1 | 57% | 0.572 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -99 | -32.2 | 172.7 | -84.7 | -64.6 | 0 | 0 | 0 | 110.8 | R49 D56 | R49-D51 IonicContact CZ-OD1 2.82Å; R49-D51 IonicContact CZ-OD2 2.74Å; R49-D51 IonicContact NE-OD1 3.71Å; R49-D51 IonicContact NE-OD2 3.72Å; R49-D51 VanDerWaalsContact NH1-CG 3.3Å; R49-D51 IonicContact NH1-OD1 3.85Å; R49-D51 PolarHBondContact NH1-OD1 3.2Å; R49-D51 IonicContact NH1-OD2 2.76Å; R49-D51 PolarHBondContact NH1-OD2 3.13Å; R49-D51 VanDerWaalsContact NH1-OD2 3.15Å; R49-D51 IonicContact NH2-OD1 2.6Å; R49-D51 PolarHBondContact NH2-OD1 2.8Å; R49-D51 VanDerWaalsContact NH2-OD1 3.13Å; D51-D56 PolarHBondContact N-OD2 2.86Å |
| 52 | N | 89.4 | Confident | 90.6 | Very high | 54 Ų | 54 | 60 Ų | 60 | 29% | 0.289 | 29% | 0.29 | S | S | . | . | trans | -130.9 | 114.1 | 165.1 | 179.7 | 14.3 | 0 | 0 | 0 | 112.1 | E54 T55 D56 | N52-E54 PolarHBondContact O-N 2.97Å; N52-E54 WeakPolarHBondContact OD1-CB 3.26Å; N52-E54 PolarHBondContact OD1-N 3.11Å; N52-E54 VanDerWaalsContact OD1-N 3.13Å; N52-T55 WeakPolarHBondContact CB-OG1 3.36Å; N52-T55 PolarHBondContact ND2-OG1 3.01Å; N52-T55 PolarHBondContact O-N 3.06Å; N52-T55 PolarHBondContact O-OG1 3.03Å; N52-D56 PolarHBondContact N-OD2 2.86Å; N52-D56 WeakPolarHBondContact O-CB 3.35Å; N52-D56 PolarHBondContact O-N 3.02Å | ||
| 53 | L | 89.4 | Confident | 90.8 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -24.6 | -178 | -166.4 | 65.3 | 0 | 0 | 0 | 114.3 | F35 V39 V50 L57 I123 L124 I127 | F35-L53 HydrophobicContact CB-CD2 4.03Å; V39-L53 HydrophobicContact CG2-CD1 4.13Å; V50-L53 HydrophobicContact CG1-CB 4.14Å; V50-L53 HydrophobicContact CG1-CD1 4.04Å; L53-L57 HydrophobicContact CD1-CD1 3.99Å; L53-I123 HydrophobicContact CG-CG2 4.19Å; L53-L124 HydrophobicContact CD2-CD2 3.95Å; L53-I127 HydrophobicContact CD1-CD1 4.49Å; L53-I127 HydrophobicContact CD1-CG1 4.21Å; L53-I127 HydrophobicContact CD2-CG1 4.31Å |
| 54 | E | 87.7 | Confident | 90.9 | Very high | 63 Ų | 63 | 57.4 Ų | 57.4 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -39.8 | 179 | -171.2 | 164 | -150.9 | 0 | 0 | 112.3 | N52 Q118 L120 | N52-E54 PolarHBondContact O-N 2.97Å; N52-E54 WeakPolarHBondContact OD1-CB 3.26Å; N52-E54 PolarHBondContact OD1-N 3.11Å; N52-E54 VanDerWaalsContact OD1-N 3.13Å; E54-Q118 HydrophobicContact CG-CB 4.22Å; E54-L120 HydrophobicContact CB-CD1 4.26Å; E54-L120 HydrophobicContact CG-CB 3.99Å; E54-L120 VanDerWaalsContact OE1-CB 3.24Å; E54-L120 WeakPolarHBondContact OE1-CB 3.43Å |
| 55 | T | 90.8 | Very high | 91.2 | Very high | 48 Ų | 48 | 53 Ų | 53 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -41.2 | -174.6 | 49.8 | 0 | 0 | 0 | 0 | 113.1 | N52 L57 T58 | N52-T55 WeakPolarHBondContact CB-OG1 3.36Å; N52-T55 PolarHBondContact ND2-OG1 3.01Å; N52-T55 PolarHBondContact O-N 3.06Å; N52-T55 PolarHBondContact O-OG1 3.03Å; T55-L57 PolarHBondContact O-N 3Å; T55-L57 VanDerWaalsContact O-N 3.13Å; T55-T58 WeakPolarHBondContact O-CB 3.45Å; T55-T58 PolarHBondContact O-N 2.93Å; T55-T58 PolarHBondContact O-OG1 3Å |
| 56 | D | 95.6 | Very high | 92.1 | Very high | 47 Ų | 47 | 46.3 Ų | 46.3 | 25% | 0.251 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -11.3 | -161 | -55.6 | -6.8 | 0 | 0 | 0 | 113 | V50 D51 N52 I62 | V50-D56 HydrophobicContact CG1-CB 4.22Å; V50-D56 HydrophobicContact CG2-CB 4.36Å; D51-D56 PolarHBondContact N-OD2 2.86Å; N52-D56 PolarHBondContact N-OD2 2.86Å; N52-D56 WeakPolarHBondContact O-CB 3.35Å; N52-D56 PolarHBondContact O-N 3.02Å; D56-I62 HydrophobicContact CB-CD1 4.1Å; D56-I62 WeakPolarHBondContact O-CD1 3.44Å; D56-I62 WeakPolarHBondContact O-CG1 3.37Å |
| 57 | L | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -9.7 | 173.2 | -56.6 | -177.9 | 0 | 0 | 0 | 113.3 | V50 L53 T55 D59 G60 I62 L63 I115 I123 I127 | V50-L57 HydrophobicContact CG2-CD2 4.25Å; L53-L57 HydrophobicContact CD1-CD1 3.99Å; T55-L57 PolarHBondContact O-N 3Å; T55-L57 VanDerWaalsContact O-N 3.13Å; L57-D59 PolarHBondContact O-N 3.32Å; L57-D59 VanDerWaalsContact O-N 3.14Å; L57-G60 PolarHBondContact O-N 2.74Å; L57-I62 HydrophobicContact CD2-CB 4.1Å; L57-I62 HydrophobicContact CD2-CG2 4.11Å; L57-L63 HydrophobicContact CD2-CB 4.32Å; L57-I115 HydrophobicContact CB-CG2 3.93Å; L57-I123 HydrophobicContact CD1-CG2 3.94Å; L57-I127 HydrophobicContact CD1-CD1 4.18Å |
| 58 | T | 93.2 | Very high | 93 | Very high | 11 Ų | 11 | 35.5 Ų | 35.5 | 7% | 0.067 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -29.4 | -171.5 | -67.2 | 0 | 0 | 0 | 0 | 114.1 | T55 G60 K88 V116 Q118 | T55-T58 WeakPolarHBondContact O-CB 3.45Å; T55-T58 PolarHBondContact O-N 2.93Å; T55-T58 PolarHBondContact O-OG1 3Å; T58-G60 VanDerWaalsContact C-N 3.34Å; T58-K88 HydrophobicContact CG2-CD 4.1Å; T58-V116 WeakPolarHBondContact CG2-O 3.34Å; T58-Q118 VanDerWaalsContact OG1-CG 3.29Å; T58-Q118 WeakPolarHBondContact OG1-CG 3.3Å; T58-Q118 PolarHBondContact OG1-NE2 2.7Å |
| 59 | D | 93.6 | Very high | 93.2 | Very high | 46 Ų | 46 | 34.7 Ų | 34.7 | 25% | 0.246 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -4.9 | -178.7 | 85.4 | -15.9 | 0 | 0 | 0 | 113.8 | L57 L61 P82 N91 | L57-D59 PolarHBondContact O-N 3.32Å; L57-D59 VanDerWaalsContact O-N 3.14Å; D59-L61 PolarHBondContact O-N 2.8Å; D59-L61 VanDerWaalsContact O-N 3.15Å; D59-L61 WeakPolarHBondContact OD1-CB 3.35Å; D59-L61 PolarHBondContact OD1-N 2.79Å; D59-L61 WeakPolarHBondContact OD2-CD1 3.45Å; D59-L61 WeakPolarHBondContact OD2-CG 3.43Å; D59-P82 HydrophobicContact CB-CG 3.85Å; D59-N91 VanDerWaalsContact O-CB 3.31Å; D59-N91 WeakPolarHBondContact O-CB 3.35Å; D59-N91 PolarHBondContact O-ND2 2.81Å |
| 60 | G | 94.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 70.5 | -12.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L57 T58 L63 I64 | L57-G60 PolarHBondContact O-N 2.74Å; T58-G60 VanDerWaalsContact C-N 3.34Å; G60-L63 PolarHBondContact O-N 2.87Å; G60-I64 VanDerWaalsContact O-CB 3.31Å; G60-I64 WeakPolarHBondContact O-CB 3.35Å; G60-I64 WeakPolarHBondContact O-CD1 3.25Å; G60-I64 WeakPolarHBondContact O-CG1 3.26Å; G60-I64 PolarHBondContact O-N 2.84Å |
| 61 | L | 94.9 | Very high | 93.2 | Very high | 41 Ų | 41 | 29 Ų | 29 | 22% | 0.215 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.8 | -43.9 | -175.8 | -66.9 | -175.9 | 0 | 0 | 0 | 112.1 | D59 K65 N79 P82 | D59-L61 PolarHBondContact O-N 2.8Å; D59-L61 VanDerWaalsContact O-N 3.15Å; D59-L61 WeakPolarHBondContact OD1-CB 3.35Å; D59-L61 PolarHBondContact OD1-N 2.79Å; D59-L61 WeakPolarHBondContact OD2-CD1 3.45Å; D59-L61 WeakPolarHBondContact OD2-CG 3.43Å; L61-K65 WeakPolarHBondContact O-CB 3.19Å; L61-K65 PolarHBondContact O-N 3.02Å; L61-N79 WeakPolarHBondContact CD2-O 3.34Å; L61-P82 HydrophobicContact CD1-CG 4.5Å; L61-P82 HydrophobicContact CG-CG 4.41Å |
| 62 | I | 95.1 | Very high | 93.1 | Very high | 23 Ų | 23 | 32.8 Ų | 32.8 | 12% | 0.118 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.1 | -40.2 | 177.3 | -48.7 | -163.7 | 0 | 0 | 0 | 110.6 | L43 M48 V50 D56 L57 K65 L66 | L43-I62 HydrophobicContact CD1-CG2 3.55Å; L43-I62 HydrophobicContact CD2-CG2 4.31Å; M48-I62 HydrophobicContact CE-CB 4.17Å; M48-I62 HydrophobicContact CE-CD1 4.46Å; M48-I62 HydrophobicContact CE-CG1 3.72Å; M48-I62 HydrophobicContact CE-CG2 4.31Å; V50-I62 HydrophobicContact CG2-CD1 4.48Å; V50-I62 HydrophobicContact CG2-CG2 3.74Å; D56-I62 HydrophobicContact CB-CD1 4.1Å; D56-I62 WeakPolarHBondContact O-CD1 3.44Å; D56-I62 WeakPolarHBondContact O-CG1 3.37Å; L57-I62 HydrophobicContact CD2-CB 4.1Å; L57-I62 HydrophobicContact CD2-CG2 4.11Å; I62-K65 PolarHBondContact O-N 2.93Å; I62-L66 WeakPolarHBondContact O-CB 3.31Å; I62-L66 PolarHBondContact O-N 2.69Å |
| 63 | L | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.3 | -47.9 | 176.3 | -178.3 | 61.5 | 0 | 0 | 0 | 111.5 | L57 G60 K65 L66 V67 V92 A95 L96 I115 L126 | L57-L63 HydrophobicContact CD2-CB 4.32Å; G60-L63 PolarHBondContact O-N 2.87Å; L63-K65 VanDerWaalsContact C-N 3.3Å; L63-K65 PolarHBondContact O-N 2.8Å; L63-L66 PolarHBondContact O-N 2.58Å; L63-V67 HydrophobicContact CD1-CG2 4.36Å; L63-V67 WeakPolarHBondContact O-CG2 3.35Å; L63-V67 PolarHBondContact O-N 2.82Å; L63-V92 HydrophobicContact CD2-CG1 4.3Å; L63-A95 HydrophobicContact CD2-CB 3.9Å; L63-A95 HydrophobicContact CG-CB 3.81Å; L63-L96 HydrophobicContact CD2-CD2 4.49Å; L63-I115 HydrophobicContact CD2-CG2 4.38Å; L63-L126 HydrophobicContact CD1-CD2 4.15Å; L63-L126 HydrophobicContact CD2-CD2 4.15Å |
| 64 | I | 95.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -53.9 | -48.4 | 172.9 | -74.8 | 164.3 | 0 | 0 | 0 | 110.2 | G60 L66 V67 E68 L75 H78 N91 V94 A95 | G60-I64 VanDerWaalsContact O-CB 3.31Å; G60-I64 WeakPolarHBondContact O-CB 3.35Å; G60-I64 WeakPolarHBondContact O-CD1 3.25Å; G60-I64 WeakPolarHBondContact O-CG1 3.26Å; G60-I64 PolarHBondContact O-N 2.84Å; I64-L66 PolarHBondContact O-N 2.88Å; I64-V67 PolarHBondContact O-N 2.86Å; I64-E68 WeakPolarHBondContact O-CG 3.2Å; I64-E68 PolarHBondContact O-N 2.88Å; I64-L75 HydrophobicContact CB-CD2 4.22Å; I64-L75 HydrophobicContact CG1-CD2 4.17Å; I64-L75 HydrophobicContact CG2-CB 4.05Å; I64-L75 HydrophobicContact CG2-CD2 3.93Å; I64-H78 HydrophobicContact CD1-CB 3.75Å; I64-N91 HydrophobicContact CD1-CB 3.99Å; I64-N91 WeakPolarHBondContact CD1-O 3.39Å; I64-V94 HydrophobicContact CD1-CG1 4.4Å; I64-A95 HydrophobicContact CG1-CB 4.07Å |
| 65 | K | 93.7 | Very high | 93.1 | Very high | 61 Ų | 61 | 41.2 Ų | 41.2 | 27% | 0.265 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.4 | -43.2 | -178.4 | -172.5 | 58 | 55.2 | -166.7 | 0 | 112.8 | L43 V46 M48 L61 I62 L63 V67 E68 I69 | L43-K65 HydrophobicContact CD2-CB 4.3Å; L43-K65 HydrophobicContact CD2-CG 4.06Å; V46-K65 HydrophobicContact CG1-CD 4.41Å; V46-K65 HydrophobicContact CG2-CD 4.15Å; V46-K65 HydrophobicContact CG2-CG 3.8Å; M48-K65 HydrophobicContact CE-CB 4.21Å; M48-K65 HydrophobicContact CE-CG 4.46Å; M48-K65 HydrophobicContact SD-CB 4.07Å; M48-K65 HydrophobicContact SD-CD 4.49Å; M48-K65 HydrophobicContact SD-CG 3.7Å; L61-K65 WeakPolarHBondContact O-CB 3.19Å; L61-K65 PolarHBondContact O-N 3.02Å; I62-K65 PolarHBondContact O-N 2.93Å; L63-K65 VanDerWaalsContact C-N 3.3Å; L63-K65 PolarHBondContact O-N 2.8Å; K65-V67 VanDerWaalsContact C-N 3.33Å; K65-E68 IonicContact NZ-OE2 2.82Å; K65-E68 PolarHBondContact NZ-OE2 3.2Å; K65-E68 PolarHBondContact O-N 2.89Å; K65-I69 HydrophobicContact CD-CD1 4.31Å; K65-I69 HydrophobicContact CG-CD1 4.06Å; K65-I69 WeakPolarHBondContact O-CD1 3.4Å; K65-I69 WeakPolarHBondContact O-CG1 3.3Å; K65-I69 PolarHBondContact O-N 2.98Å; K65-I69 VanDerWaalsContact O-N 3.13Å |
| 66 | L | 96.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59 | -46.3 | 175.6 | 177.4 | 64.8 | 0 | 0 | 0 | 110.6 | V39 H42 L43 I62 L63 I64 I69 L70 I127 L130 | V39-L66 HydrophobicContact CG1-CD1 4.35Å; V39-L66 HydrophobicContact CG1-CD2 4.08Å; V39-L66 HydrophobicContact CG2-CD2 3.86Å; H42-L66 HydrophobicContact CB-CD1 3.92Å; L43-L66 HydrophobicContact CD2-CB 4.22Å; L43-L66 HydrophobicContact CG-CD1 4.5Å; I62-L66 WeakPolarHBondContact O-CB 3.31Å; I62-L66 PolarHBondContact O-N 2.69Å; L63-L66 PolarHBondContact O-N 2.58Å; I64-L66 PolarHBondContact O-N 2.88Å; L66-I69 PolarHBondContact O-N 3.08Å; L66-L70 HydrophobicContact CD1-CD1 3.96Å; L66-L70 HydrophobicContact CD1-CG 4.2Å; L66-L70 HydrophobicContact CD2-CD1 4.49Å; L66-L70 HydrophobicContact CG-CD1 3.8Å; L66-L70 HydrophobicContact CG-CG 4.43Å; L66-L70 VanDerWaalsContact O-CG 3.29Å; L66-L70 WeakPolarHBondContact O-CG 3.14Å; L66-L70 PolarHBondContact O-N 3.18Å; L66-I127 HydrophobicContact CD2-CD1 4.2Å; L66-L130 HydrophobicContact CD2-CD1 3.99Å |
| 67 | V | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.1 | -36.3 | 178.9 | 178.8 | 0 | 0 | 0 | 0 | 112.1 | L63 I64 K65 I69 S71 L75 F98 L99 | L63-V67 HydrophobicContact CD1-CG2 4.36Å; L63-V67 WeakPolarHBondContact O-CG2 3.35Å; L63-V67 PolarHBondContact O-N 2.82Å; I64-V67 PolarHBondContact O-N 2.86Å; K65-V67 VanDerWaalsContact C-N 3.33Å; V67-I69 VanDerWaalsContact C-N 3.3Å; V67-I69 PolarHBondContact O-N 3.09Å; V67-S71 VanDerWaalsContact O-CB 3.27Å; V67-S71 WeakPolarHBondContact O-CB 3.32Å; V67-S71 PolarHBondContact O-N 2.74Å; V67-S71 PolarHBondContact O-OG 3.17Å; V67-L75 HydrophobicContact CB-CD1 4.44Å; V67-L75 HydrophobicContact CB-CD2 4.2Å; V67-L75 HydrophobicContact CG1-CD1 3.96Å; V67-L75 HydrophobicContact CG1-CD2 4.15Å; V67-F98 HydrophobicContact CG1-CD1 3.5Å; V67-F98 VanDerWaalsContact CG1-CD1 3.5Å; V67-F98 HydrophobicContact CG1-CE1 3.84Å; V67-F98 HydrophobicContact CG1-CG 4.47Å; V67-L99 HydrophobicContact CG1-CD2 3.7Å; V67-L99 HydrophobicContact CG1-CG 4.07Å; V67-L99 HydrophobicContact CG2-CD1 4Å; V67-L99 HydrophobicContact CG2-CD2 3.93Å; V67-L99 HydrophobicContact CG2-CG 4.1Å |
| 68 | E | 93.6 | Very high | 91.9 | Very high | 27 Ų | 27 | 54.3 Ų | 54.3 | 13% | 0.126 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.6 | -39.7 | 171.7 | -74.5 | -166.9 | 134.1 | 0 | 0 | 112.4 | I64 K65 K72 K73 K74 L75 | I64-E68 WeakPolarHBondContact O-CG 3.2Å; I64-E68 PolarHBondContact O-N 2.88Å; K65-E68 IonicContact NZ-OE2 2.82Å; K65-E68 PolarHBondContact NZ-OE2 3.2Å; K65-E68 PolarHBondContact O-N 2.89Å; E68-K72 VanDerWaalsContact O-CA 3.26Å; E68-K72 WeakPolarHBondContact O-CA 3.22Å; E68-K72 PolarHBondContact O-N 2.75Å; E68-K73 VanDerWaalsContact CA-O 3.3Å; E68-K73 WeakPolarHBondContact CA-O 3.27Å; E68-K73 PolarHBondContact O-N 3.4Å; E68-K74 WeakPolarHBondContact OE1-CA 3.36Å; E68-K74 WeakPolarHBondContact OE1-CG 3.37Å; E68-L75 HydrophobicContact CB-CD1 4.43Å; E68-L75 HydrophobicContact CG-CB 3.84Å; E68-L75 HydrophobicContact CG-CD1 3.65Å; E68-L75 HydrophobicContact CG-CG 4.24Å; E68-L75 PolarHBondContact OE1-N 2.82Å |
| 69 | I | 93.8 | Very high | 91.8 | Very high | 44 Ų | 44 | 55.7 Ų | 55.7 | 23% | 0.226 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -72.7 | -45.8 | -179 | -67.8 | 163.3 | 0 | 0 | 0 | 111.1 | H42 L43 V46 K65 L66 V67 K72 | H42-I69 HydrophobicContact CB-CG2 4.19Å; L43-I69 HydrophobicContact CD2-CD1 4.15Å; V46-I69 HydrophobicContact CB-CD1 4.44Å; V46-I69 HydrophobicContact CG1-CD1 3.86Å; V46-I69 HydrophobicContact CG1-CG1 4.4Å; V46-I69 HydrophobicContact CG2-CD1 3.67Å; K65-I69 HydrophobicContact CD-CD1 4.31Å; K65-I69 HydrophobicContact CG-CD1 4.06Å; K65-I69 WeakPolarHBondContact O-CD1 3.4Å; K65-I69 WeakPolarHBondContact O-CG1 3.3Å; K65-I69 PolarHBondContact O-N 2.98Å; K65-I69 VanDerWaalsContact O-N 3.13Å; L66-I69 PolarHBondContact O-N 3.08Å; V67-I69 VanDerWaalsContact C-N 3.3Å; V67-I69 PolarHBondContact O-N 3.09Å; I69-K72 WeakPolarHBondContact O-CG 3.37Å; I69-K72 PolarHBondContact O-N 2.89Å |
| 70 | L | 92.4 | Very high | 91.4 | Very high | 19 Ų | 19 | 57.1 Ų | 57.1 | 10% | 0.099 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.6 | -49 | -179 | -69.2 | 170.4 | 0 | 0 | 0 | 112.1 | W38 L66 K72 L130 Y134 | W38-L70 HydrophobicContact CH2-CD1 3.62Å; W38-L70 HydrophobicContact CH2-CD2 3.61Å; W38-L70 HydrophobicContact CH2-CG 4.28Å; W38-L70 HydrophobicContact CZ2-CD2 3.84Å; W38-L70 HydrophobicContact CZ3-CD1 4.15Å; L66-L70 HydrophobicContact CD1-CD1 3.96Å; L66-L70 HydrophobicContact CD1-CG 4.2Å; L66-L70 HydrophobicContact CD2-CD1 4.49Å; L66-L70 HydrophobicContact CG-CD1 3.8Å; L66-L70 HydrophobicContact CG-CG 4.43Å; L66-L70 VanDerWaalsContact O-CG 3.29Å; L66-L70 WeakPolarHBondContact O-CG 3.14Å; L66-L70 PolarHBondContact O-N 3.18Å; L70-K72 VanDerWaalsContact C-N 3.3Å; L70-K72 PolarHBondContact O-N 3.27Å; L70-L130 HydrophobicContact CD1-CB 4.36Å; L70-L130 HydrophobicContact CD1-CD1 4.2Å; L70-L130 HydrophobicContact CD1-CD2 4.49Å; L70-Y134 HydrophobicContact CB-CD1 3.95Å; L70-Y134 HydrophobicContact CB-CD2 3.93Å; L70-Y134 HydrophobicContact CB-CE1 3.97Å; L70-Y134 HydrophobicContact CB-CE2 3.95Å; L70-Y134 HydrophobicContact CB-CG 3.91Å; L70-Y134 HydrophobicContact CD1-CD2 3.94Å; L70-Y134 HydrophobicContact CD1-CE2 4.2Å; L70-Y134 HydrophobicContact CD1-CG 4.49Å; L70-Y134 HydrophobicContact CD2-CG 4.34Å; L70-Y134 HydrophobicContact CG-CD2 4.38Å; L70-Y134 HydrophobicContact CG-CG 4.48Å |
| 71 | S | 91.7 | Very high | 91 | Very high | 16 Ų | 16 | 65.7 Ų | 65.7 | 11% | 0.112 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -74.6 | -19.4 | 178.7 | 68.1 | 0 | 0 | 0 | 0 | 113.7 | V67 K73 | V67-S71 VanDerWaalsContact O-CB 3.27Å; V67-S71 WeakPolarHBondContact O-CB 3.32Å; V67-S71 PolarHBondContact O-N 2.74Å; V67-S71 PolarHBondContact O-OG 3.17Å; S71-K73 PolarHBondContact O-N 2.82Å; S71-K73 PolarHBondContact OG-N 3.35Å |
| 72 | K | 87.9 | Confident | 90.6 | Very high | 187 Ų | 187 | 64.5 Ų | 64.5 | 81% | 0.813 | 31% | 0.305 | S | S | * | . | trans | 56.6 | 21.8 | -170.5 | -56.9 | 178.5 | -176.7 | 173.8 | 0 | 113.6 | E68 I69 L70 | E68-K72 VanDerWaalsContact O-CA 3.26Å; E68-K72 WeakPolarHBondContact O-CA 3.22Å; E68-K72 PolarHBondContact O-N 2.75Å; I69-K72 WeakPolarHBondContact O-CG 3.37Å; I69-K72 PolarHBondContact O-N 2.89Å; L70-K72 VanDerWaalsContact C-N 3.3Å; L70-K72 PolarHBondContact O-N 3.27Å | ||
| 73 | K | 90.2 | Very high | 89.9 | Confident | 94 Ų | 94 | 68.4 Ų | 68.4 | 41% | 0.409 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -114 | 153.2 | 177.3 | -66.9 | 158.1 | -173.7 | 162.6 | 0 | 108.5 | E68 S71 F98 V102 E103 | E68-K73 VanDerWaalsContact CA-O 3.3Å; E68-K73 WeakPolarHBondContact CA-O 3.27Å; E68-K73 PolarHBondContact O-N 3.4Å; S71-K73 PolarHBondContact O-N 2.82Å; S71-K73 PolarHBondContact OG-N 3.35Å; K73-F98 HydrophobicContact CB-CE2 4.43Å; K73-F98 HydrophobicContact CB-CZ 3.81Å; K73-F98 HydrophobicContact CD-CZ 3.9Å; K73-V102 HydrophobicContact CD-CG1 4.23Å; K73-E103 WeakPolarHBondContact CD-OE1 3.26Å; K73-E103 WeakPolarHBondContact CE-OE1 3.47Å; K73-E103 IonicContact NZ-OE1 2.93Å; K73-E103 PolarHBondContact NZ-OE1 2.67Å; K73-E103 IonicContact NZ-OE2 2.67Å; K73-E103 PolarHBondContact NZ-OE2 2.89Å |
| 74 | K | 85.3 | Confident | 89.1 | Confident | 187 Ų | 187 | 74.8 Ų | 74.8 | 81% | 0.813 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -86.2 | 132 | 177.1 | -156.3 | 175.9 | -174.4 | 174.8 | 0 | 109.7 | E68 | E68-K74 WeakPolarHBondContact OE1-CA 3.36Å; E68-K74 WeakPolarHBondContact OE1-CG 3.37Å |
| 75 | L | 90.7 | Very high | 88.8 | Confident | 13 Ų | 13 | 81 Ų | 81 | 7% | 0.068 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -80.1 | 161.4 | -178.7 | -99.6 | 67 | 0 | 0 | 0 | 111.2 | I64 V67 E68 A95 F98 | I64-L75 HydrophobicContact CB-CD2 4.22Å; I64-L75 HydrophobicContact CG1-CD2 4.17Å; I64-L75 HydrophobicContact CG2-CB 4.05Å; I64-L75 HydrophobicContact CG2-CD2 3.93Å; V67-L75 HydrophobicContact CB-CD1 4.44Å; V67-L75 HydrophobicContact CB-CD2 4.2Å; V67-L75 HydrophobicContact CG1-CD1 3.96Å; V67-L75 HydrophobicContact CG1-CD2 4.15Å; E68-L75 HydrophobicContact CB-CD1 4.43Å; E68-L75 HydrophobicContact CG-CB 3.84Å; E68-L75 HydrophobicContact CG-CD1 3.65Å; E68-L75 HydrophobicContact CG-CG 4.24Å; E68-L75 PolarHBondContact OE1-N 2.82Å; L75-A95 HydrophobicContact CD2-CB 4.41Å; L75-F98 HydrophobicContact CD1-CD1 3.73Å; L75-F98 HydrophobicContact CD1-CD2 3.69Å; L75-F98 HydrophobicContact CD1-CE1 3.71Å; L75-F98 HydrophobicContact CD1-CE2 3.65Å; L75-F98 HydrophobicContact CD1-CG 3.73Å; L75-F98 HydrophobicContact CD1-CZ 3.68Å; L75-F98 HydrophobicContact CD2-CB 4.19Å; L75-F98 HydrophobicContact CD2-CG 4.17Å; L75-F98 HydrophobicContact CG-CB 4.16Å; L75-F98 HydrophobicContact CG-CD1 4.21Å; L75-F98 HydrophobicContact CG-CD2 3.67Å; L75-F98 HydrophobicContact CG-CE2 4.09Å; L75-F98 HydrophobicContact CG-CG 3.74Å |
| 76 | P | 84.6 | Confident | 88.2 | Confident | 70 Ų | 70 | 81.9 Ų | 81.9 | 46% | 0.455 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 161.5 | 173.8 | -26.7 | 35.1 | 0 | 0 | 0 | 113.7 | H78 V94 | P76-H78 PolarHBondContact O-N 3.47Å; P76-H78 PolarHBondContact O-ND1 2.88Å; P76-V94 HydrophobicContact CB-CG1 4.03Å; P76-V94 HydrophobicContact CG-CG1 4.17Å |
| 77 | R | 81.3 | Confident | 87.7 | Confident | 244 Ų | 244 | 84.1 Ų | 84.1 | 92% | 0.921 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 131.6 | 174.8 | -166.3 | -178.8 | -169.4 | -178.6 | 3.1 | 109.6 | ||
| 78 | H | 90.4 | Very high | 87.7 | Confident | 56 Ų | 56 | 87 Ų | 87 | 26% | 0.259 | 42% | 0.419 | S | S | . | . | trans | -135.2 | 171.1 | -172.2 | 49.9 | -91.7 | 0 | 0 | 0 | 110.2 | I64 P76 A80 | I64-H78 HydrophobicContact CD1-CB 3.75Å; P76-H78 PolarHBondContact O-N 3.47Å; P76-H78 PolarHBondContact O-ND1 2.88Å; H78-A80 PolarHBondContact O-N 2.8Å; H78-A80 VanDerWaalsContact O-N 3.1Å | ||
| 79 | N | 91.4 | Very high | 87.5 | Confident | 41 Ų | 41 | 87.4 Ų | 87.4 | 22% | 0.219 | 42% | 0.422 | C | S | . | . | trans | -72.3 | 102.6 | 178.1 | -66.5 | -72.7 | 0 | 0 | 0 | 110.3 | L61 K81 P82 Q87 E90 N91 | L61-N79 WeakPolarHBondContact CD2-O 3.34Å; N79-K81 PolarHBondContact O-N 2.77Å; N79-K81 VanDerWaalsContact O-N 3.08Å; N79-P82 HydrophobicContact CB-CB 4.23Å; N79-P82 WeakPolarHBondContact O-CD 3.32Å; N79-Q87 HydrophobicContact CB-CB 4.27Å; N79-E90 VanDerWaalsContact ND2-CD 3.28Å; N79-E90 PolarHBondContact ND2-OE2 2.84Å; N79-N91 WeakPolarHBondContact CB-OD1 3.43Å; N79-N91 PolarHBondContact N-OD1 2.81Å; N79-N91 PolarHBondContact O-ND2 2.86Å | ||
| 80 | A | 84.7 | Confident | 87.2 | Confident | 75 Ų | 75 | 90 Ų | 90 | 62% | 0.62 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -67.8 | -4.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | H78 | H78-A80 PolarHBondContact O-N 2.8Å; H78-A80 VanDerWaalsContact O-N 3.1Å |
| 81 | K | 86.6 | Confident | 87.4 | Confident | 181 Ų | 181 | 89.1 Ų | 89.1 | 79% | 0.787 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -149.1 | 76.1 | 174.2 | -67 | -168.3 | 178 | -171.8 | 0 | 110 | N79 T83 | N79-K81 PolarHBondContact O-N 2.77Å; N79-K81 VanDerWaalsContact O-N 3.08Å; K81-T83 PolarHBondContact O-N 2.94Å |
| 82 | P | 87.5 | Confident | 87.7 | Confident | 15 Ų | 15 | 88.4 Ų | 88.4 | 10% | 0.097 | 42% | 0.423 | C | S | . | . | trans | -80.9 | 102 | -173.9 | 34.1 | -35.5 | 0 | 0 | 0 | 111.2 | D59 L61 N79 Q87 K88 N91 | D59-P82 HydrophobicContact CB-CG 3.85Å; L61-P82 HydrophobicContact CD1-CG 4.5Å; L61-P82 HydrophobicContact CG-CG 4.41Å; N79-P82 HydrophobicContact CB-CB 4.23Å; N79-P82 WeakPolarHBondContact O-CD 3.32Å; P82-Q87 HydrophobicContact CB-CB 3.79Å; P82-K88 HydrophobicContact CB-CG 4.08Å; P82-K88 HydrophobicContact CG-CG 4.49Å; P82-N91 WeakPolarHBondContact CG-ND2 3.36Å | ||
| 83 | T | 80.1 | Confident | 87.9 | Confident | 105 Ų | 105 | 81.3 Ų | 81.3 | 64% | 0.644 | 40% | 0.397 | S | S | * | . | trans | -89.6 | -36.3 | 178.8 | 51.6 | 0 | 0 | 0 | 0 | 112.7 | K81 Q87 | K81-T83 PolarHBondContact O-N 2.94Å; T83-Q87 PolarHBondContact OG1-OE1 3.08Å | ||
| 84 | F | 78.3 | Confident | 88.2 | Confident | 135 Ų | 135 | 78.2 Ų | 78.2 | 59% | 0.592 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -94.5 | 148.2 | -177 | -59.6 | -76.4 | 0 | 0 | 0 | 111.9 | S86 Q87 K88 | F84-S86 PolarHBondContact O-N 2.96Å; F84-S86 VanDerWaalsContact O-N 3.17Å; F84-Q87 HydrophobicContact CB-CG 4.4Å; F84-Q87 WeakPolarHBondContact O-CB 3.47Å; F84-Q87 PolarHBondContact O-N 3.31Å; F84-K88 PolarHBondContact O-N 2.6Å; F84-K88 VanDerWaalsContact O-N 3.17Å |
| 85 | R | 89.1 | Confident | 88.7 | Confident | 130 Ų | 130 | 69.3 Ų | 69.3 | 49% | 0.491 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -55.4 | -35.2 | 179.8 | -174.1 | 171.3 | 171 | -91.3 | -0.9 | 112.6 | Q87 K88 L89 V116 D117 | R85-Q87 PolarHBondContact O-N 2.79Å; R85-K88 WeakPolarHBondContact O-CB 3.42Å; R85-K88 PolarHBondContact O-N 2.94Å; R85-L89 HydrophobicContact CG-CD1 4.2Å; R85-L89 HydrophobicContact CG-CG 4.44Å; R85-L89 WeakPolarHBondContact O-CG 3.49Å; R85-L89 PolarHBondContact O-N 2.89Å; R85-V116 HydrophobicContact CG-CG1 3.79Å; R85-D117 IonicContact CZ-OD1 2.67Å; R85-D117 VanDerWaalsContact CZ-OD1 3.28Å; R85-D117 IonicContact CZ-OD2 2.75Å; R85-D117 IonicContact NE-OD1 3.77Å; R85-D117 PolarHBondContact NE-OD1 2.84Å; R85-D117 IonicContact NH2-OD1 2.76Å; R85-D117 PolarHBondContact NH2-OD1 2.92Å; R85-D117 IonicContact NH2-OD2 2.7Å; R85-D117 PolarHBondContact NH2-OD2 2.98Å |
| 86 | S | 82.5 | Confident | 88.9 | Confident | 81 Ų | 81 | 69.2 Ų | 69.2 | 57% | 0.566 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -59.5 | -41.9 | 172.8 | 48.1 | 0 | 0 | 0 | 0 | 113.6 | F84 K88 L89 E90 | F84-S86 PolarHBondContact O-N 2.96Å; F84-S86 VanDerWaalsContact O-N 3.17Å; S86-K88 VanDerWaalsContact C-N 3.33Å; S86-L89 PolarHBondContact O-N 2.79Å; S86-E90 WeakPolarHBondContact O-CB 3.32Å; S86-E90 PolarHBondContact O-N 2.76Å |
| 87 | Q | 84.5 | Confident | 89.1 | Confident | 46 Ų | 46 | 69.4 Ų | 69.4 | 22% | 0.215 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70.4 | -30.7 | 177.3 | -63.9 | 172.2 | -39.9 | 0 | 0 | 112.3 | N79 P82 T83 F84 R85 N91 | N79-Q87 HydrophobicContact CB-CB 4.27Å; P82-Q87 HydrophobicContact CB-CB 3.79Å; T83-Q87 PolarHBondContact OG1-OE1 3.08Å; F84-Q87 HydrophobicContact CB-CG 4.4Å; F84-Q87 WeakPolarHBondContact O-CB 3.47Å; F84-Q87 PolarHBondContact O-N 3.31Å; R85-Q87 PolarHBondContact O-N 2.79Å; Q87-N91 WeakPolarHBondContact O-CB 3.45Å; Q87-N91 VanDerWaalsContact O-CG 3.3Å; Q87-N91 PolarHBondContact O-N 2.84Å; Q87-N91 PolarHBondContact O-OD1 3.15Å |
| 88 | K | 94.8 | Very high | 89.7 | Confident | 61 Ų | 61 | 58.4 Ų | 58.4 | 27% | 0.265 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.3 | -47 | 172.9 | -62.8 | -174.5 | 177.1 | -175.3 | 0 | 111.1 | T58 P82 F84 R85 S86 E90 N91 V92 V116 | T58-K88 HydrophobicContact CG2-CD 4.1Å; P82-K88 HydrophobicContact CB-CG 4.08Å; P82-K88 HydrophobicContact CG-CG 4.49Å; F84-K88 PolarHBondContact O-N 2.6Å; F84-K88 VanDerWaalsContact O-N 3.17Å; R85-K88 WeakPolarHBondContact O-CB 3.42Å; R85-K88 PolarHBondContact O-N 2.94Å; S86-K88 VanDerWaalsContact C-N 3.33Å; K88-E90 VanDerWaalsContact C-N 3.32Å; K88-E90 PolarHBondContact O-N 2.88Å; K88-N91 PolarHBondContact O-N 3.16Å; K88-V92 WeakPolarHBondContact O-CG2 3.38Å; K88-V92 PolarHBondContact O-N 3.28Å; K88-V116 HydrophobicContact CB-CG1 4.01Å; K88-V116 HydrophobicContact CB-CG2 4Å; K88-V116 HydrophobicContact CD-CG1 4.46Å |
| 89 | L | 89.8 | Confident | 89.9 | Confident | 35 Ų | 35 | 55.7 Ų | 55.7 | 18% | 0.183 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.8 | -42 | 173.5 | -71.2 | 166 | 0 | 0 | 0 | 111.5 | R85 S86 S93 V116 | R85-L89 HydrophobicContact CG-CD1 4.2Å; R85-L89 HydrophobicContact CG-CG 4.44Å; R85-L89 WeakPolarHBondContact O-CG 3.49Å; R85-L89 PolarHBondContact O-N 2.89Å; S86-L89 PolarHBondContact O-N 2.79Å; L89-S93 WeakPolarHBondContact O-CB 3.28Å; L89-S93 PolarHBondContact O-N 2.9Å; L89-S93 PolarHBondContact O-OG 2.69Å; L89-V116 HydrophobicContact CD2-CB 3.95Å; L89-V116 HydrophobicContact CD2-CG1 4.34Å; L89-V116 HydrophobicContact CD2-CG2 3.82Å; L89-V116 HydrophobicContact CG-CB 4.41Å; L89-V116 HydrophobicContact CG-CG1 4.33Å; L89-V116 HydrophobicContact CG-CG2 4.12Å |
| 90 | E | 88.3 | Confident | 89.7 | Confident | 100 Ų | 100 | 55.2 Ų | 55.2 | 47% | 0.467 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 173.8 | -172.4 | -176 | 174.5 | 0 | 0 | 111.5 | N79 S86 K88 S93 V94 | N79-E90 VanDerWaalsContact ND2-CD 3.28Å; N79-E90 PolarHBondContact ND2-OE2 2.84Å; S86-E90 WeakPolarHBondContact O-CB 3.32Å; S86-E90 PolarHBondContact O-N 2.76Å; K88-E90 VanDerWaalsContact C-N 3.32Å; K88-E90 PolarHBondContact O-N 2.88Å; E90-S93 WeakPolarHBondContact O-CB 2.98Å; E90-S93 PolarHBondContact O-N 2.93Å; E90-V94 WeakPolarHBondContact O-CG2 3.48Å; E90-V94 PolarHBondContact O-N 2.8Å |
| 91 | N | 96 | Very high | 89.9 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62 | -46.1 | 177.4 | -77.6 | 2.4 | 0 | 0 | 0 | 112.8 | D59 I64 N79 P82 Q87 K88 S93 V94 A95 | D59-N91 VanDerWaalsContact O-CB 3.31Å; D59-N91 WeakPolarHBondContact O-CB 3.35Å; D59-N91 PolarHBondContact O-ND2 2.81Å; I64-N91 HydrophobicContact CD1-CB 3.99Å; I64-N91 WeakPolarHBondContact CD1-O 3.39Å; N79-N91 WeakPolarHBondContact CB-OD1 3.43Å; N79-N91 PolarHBondContact N-OD1 2.81Å; N79-N91 PolarHBondContact O-ND2 2.86Å; P82-N91 WeakPolarHBondContact CG-ND2 3.36Å; Q87-N91 WeakPolarHBondContact O-CB 3.45Å; Q87-N91 VanDerWaalsContact O-CG 3.3Å; Q87-N91 PolarHBondContact O-N 2.84Å; Q87-N91 PolarHBondContact O-OD1 3.15Å; K88-N91 PolarHBondContact O-N 3.16Å; N91-S93 VanDerWaalsContact C-N 3.34Å; N91-V94 PolarHBondContact O-N 2.95Å; N91-A95 PolarHBondContact O-N 2.79Å |
| 92 | V | 97.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 176.3 | 172 | 0 | 0 | 0 | 0 | 110.3 | L63 K88 V94 A95 L96 I115 V116 | L63-V92 HydrophobicContact CD2-CG1 4.3Å; K88-V92 WeakPolarHBondContact O-CG2 3.38Å; K88-V92 PolarHBondContact O-N 3.28Å; V92-V94 VanDerWaalsContact C-N 3.33Å; V92-V94 PolarHBondContact O-N 3.23Å; V92-A95 WeakPolarHBondContact O-CA 3.44Å; V92-A95 WeakPolarHBondContact O-CB 3.27Å; V92-A95 PolarHBondContact O-N 3.43Å; V92-L96 HydrophobicContact CG1-CD1 3.81Å; V92-L96 HydrophobicContact CG1-CG 3.98Å; V92-L96 WeakPolarHBondContact O-CG 3.49Å; V92-L96 PolarHBondContact O-N 2.76Å; V92-I115 HydrophobicContact CG1-CB 3.82Å; V92-I115 HydrophobicContact CG1-CG1 3.87Å; V92-I115 HydrophobicContact CG1-CG2 4.4Å; V92-I115 HydrophobicContact CG2-CB 4.27Å; V92-I115 HydrophobicContact CG2-CG2 4.24Å; V92-V116 HydrophobicContact CB-CG2 4.22Å; V92-V116 HydrophobicContact CG2-CG2 3.72Å |
| 93 | S | 93.6 | Very high | 89.6 | Confident | 39 Ų | 39 | 51.7 Ų | 51.7 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.5 | -43.3 | 175.6 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | L89 E90 N91 A95 L96 T97 S112 | L89-S93 WeakPolarHBondContact O-CB 3.28Å; L89-S93 PolarHBondContact O-N 2.9Å; L89-S93 PolarHBondContact O-OG 2.69Å; E90-S93 WeakPolarHBondContact O-CB 2.98Å; E90-S93 PolarHBondContact O-N 2.93Å; N91-S93 VanDerWaalsContact C-N 3.34Å; S93-A95 PolarHBondContact O-N 3.03Å; S93-L96 PolarHBondContact O-N 3.47Å; S93-T97 WeakPolarHBondContact O-CB 3.33Å; S93-T97 PolarHBondContact O-N 2.98Å; S93-T97 PolarHBondContact O-OG1 3.14Å; S93-S112 WeakPolarHBondContact OG-CB 3.48Å |
| 94 | V | 95 | Very high | 89.7 | Confident | 28 Ų | 28 | 49.4 Ų | 49.4 | 17% | 0.17 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55 | -37.3 | 174.3 | 167.3 | 0 | 0 | 0 | 0 | 111.8 | I64 P76 E90 N91 V92 F98 | I64-V94 HydrophobicContact CD1-CG1 4.4Å; P76-V94 HydrophobicContact CB-CG1 4.03Å; P76-V94 HydrophobicContact CG-CG1 4.17Å; E90-V94 WeakPolarHBondContact O-CG2 3.48Å; E90-V94 PolarHBondContact O-N 2.8Å; N91-V94 PolarHBondContact O-N 2.95Å; V92-V94 VanDerWaalsContact C-N 3.33Å; V92-V94 PolarHBondContact O-N 3.23Å; V94-F98 WeakPolarHBondContact O-CB 3.41Å; V94-F98 PolarHBondContact O-N 3.04Å |
| 95 | A | 95.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -75.1 | -48.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L63 I64 L75 N91 V92 S93 F98 L99 | L63-A95 HydrophobicContact CD2-CB 3.9Å; L63-A95 HydrophobicContact CG-CB 3.81Å; I64-A95 HydrophobicContact CG1-CB 4.07Å; L75-A95 HydrophobicContact CD2-CB 4.41Å; N91-A95 PolarHBondContact O-N 2.79Å; V92-A95 WeakPolarHBondContact O-CA 3.44Å; V92-A95 WeakPolarHBondContact O-CB 3.27Å; V92-A95 PolarHBondContact O-N 3.43Å; S93-A95 PolarHBondContact O-N 3.03Å; A95-F98 WeakPolarHBondContact O-CB 3.36Å; A95-F98 PolarHBondContact O-N 3.03Å; A95-L99 VanDerWaalsContact O-CG 3.3Å; A95-L99 WeakPolarHBondContact O-CG 3.36Å; A95-L99 PolarHBondContact O-N 2.87Å |
| 96 | L | 96 | Very high | 89.7 | Confident | 11 Ų | 11 | 46 Ų | 46 | 6% | 0.058 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68 | -39.4 | -176.7 | -60.8 | -175.5 | 0 | 0 | 0 | 112.6 | L63 V92 S93 L99 S100 L107 D111 L126 | L63-L96 HydrophobicContact CD2-CD2 4.49Å; V92-L96 HydrophobicContact CG1-CD1 3.81Å; V92-L96 HydrophobicContact CG1-CG 3.98Å; V92-L96 WeakPolarHBondContact O-CG 3.49Å; V92-L96 PolarHBondContact O-N 2.76Å; S93-L96 PolarHBondContact O-N 3.47Å; L96-L99 HydrophobicContact CD2-CD1 4.37Å; L96-L99 PolarHBondContact O-N 2.81Å; L96-S100 WeakPolarHBondContact O-CB 3.48Å; L96-S100 PolarHBondContact O-N 3.12Å; L96-S100 PolarHBondContact O-OG 3.4Å; L96-L107 HydrophobicContact CB-CD1 3.96Å; L96-L107 HydrophobicContact CD2-CD1 3.88Å; L96-L107 HydrophobicContact CG-CD1 4.35Å; L96-D111 WeakPolarHBondContact CD1-O 3.49Å; L96-L126 HydrophobicContact CD2-CD1 3.8Å; L96-L126 HydrophobicContact CD2-CD2 3.77Å; L96-L126 HydrophobicContact CD2-CG 4.47Å |
| 97 | T | 88.7 | Confident | 89.6 | Confident | 74 Ų | 74 | 43.9 Ų | 43.9 | 45% | 0.454 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.3 | -38.2 | 172.6 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | S93 S100 N101 | S93-T97 WeakPolarHBondContact O-CB 3.33Å; S93-T97 PolarHBondContact O-N 2.98Å; S93-T97 PolarHBondContact O-OG1 3.14Å; T97-S100 PolarHBondContact O-N 3.04Å; T97-N101 VanDerWaalsContact O-CB 3.26Å; T97-N101 WeakPolarHBondContact O-CB 3.4Å; T97-N101 PolarHBondContact O-N 2.85Å |
| 98 | F | 94.8 | Very high | 88.9 | Confident | 13 Ų | 13 | 46.8 Ų | 46.8 | 6% | 0.057 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.8 | -48.6 | 173.6 | -177.9 | -81.5 | 0 | 0 | 0 | 111.6 | V67 K73 L75 V94 A95 S100 N101 V102 E103 | V67-F98 HydrophobicContact CG1-CD1 3.5Å; V67-F98 VanDerWaalsContact CG1-CD1 3.5Å; V67-F98 HydrophobicContact CG1-CE1 3.84Å; V67-F98 HydrophobicContact CG1-CG 4.47Å; K73-F98 HydrophobicContact CB-CE2 4.43Å; K73-F98 HydrophobicContact CB-CZ 3.81Å; K73-F98 HydrophobicContact CD-CZ 3.9Å; L75-F98 HydrophobicContact CD1-CD1 3.73Å; L75-F98 HydrophobicContact CD1-CD2 3.69Å; L75-F98 HydrophobicContact CD1-CE1 3.71Å; L75-F98 HydrophobicContact CD1-CE2 3.65Å; L75-F98 HydrophobicContact CD1-CG 3.73Å; L75-F98 HydrophobicContact CD1-CZ 3.68Å; L75-F98 HydrophobicContact CD2-CB 4.19Å; L75-F98 HydrophobicContact CD2-CG 4.17Å; L75-F98 HydrophobicContact CG-CB 4.16Å; L75-F98 HydrophobicContact CG-CD1 4.21Å; L75-F98 HydrophobicContact CG-CD2 3.67Å; L75-F98 HydrophobicContact CG-CE2 4.09Å; L75-F98 HydrophobicContact CG-CG 3.74Å; V94-F98 WeakPolarHBondContact O-CB 3.41Å; V94-F98 PolarHBondContact O-N 3.04Å; A95-F98 WeakPolarHBondContact O-CB 3.36Å; A95-F98 PolarHBondContact O-N 3.03Å; F98-S100 VanDerWaalsContact C-N 3.32Å; F98-S100 PolarHBondContact O-N 2.71Å; F98-N101 PolarHBondContact O-N 3.3Å; F98-V102 HydrophobicContact CD1-CB 4.34Å; F98-V102 HydrophobicContact CD2-CB 3.92Å; F98-V102 HydrophobicContact CD2-CG1 4.27Å; F98-V102 HydrophobicContact CD2-CG2 3.69Å; F98-V102 HydrophobicContact CE1-CB 4.26Å; F98-V102 HydrophobicContact CE1-CG1 4.39Å; F98-V102 HydrophobicContact CE2-CB 3.84Å; F98-V102 HydrophobicContact CE2-CG1 3.68Å; F98-V102 HydrophobicContact CE2-CG2 3.94Å; F98-V102 HydrophobicContact CG-CB 4.17Å; F98-V102 HydrophobicContact CG-CG2 4.17Å; F98-V102 HydrophobicContact CZ-CB 3.99Å; F98-V102 HydrophobicContact CZ-CG1 3.73Å; F98-V102 WeakPolarHBondContact O-CA 3.47Å; F98-V102 VanDerWaalsContact O-CB 3.29Å; F98-V102 WeakPolarHBondContact O-CB 3.42Å; F98-V102 PolarHBondContact O-N 3.36Å; F98-E103 HydrophobicContact CD1-CG 3.96Å; F98-E103 HydrophobicContact CE1-CG 3.56Å; F98-E103 WeakPolarHBondContact CE1-OE1 3.15Å; F98-E103 HydrophobicContact CZ-CG 4.47Å; F98-E103 VanDerWaalsContact CZ-OE1 3.29Å; F98-E103 WeakPolarHBondContact CZ-OE1 3.42Å; F98-E103 PolarHBondContact O-N 3.26Å |
| 99 | L | 94.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.4 | -44 | 176.1 | -68 | 166.9 | 0 | 0 | 0 | 111.7 | V67 A95 L96 E103 G104 I105 L126 L130 Y134 | V67-L99 HydrophobicContact CG1-CD2 3.7Å; V67-L99 HydrophobicContact CG1-CG 4.07Å; V67-L99 HydrophobicContact CG2-CD1 4Å; V67-L99 HydrophobicContact CG2-CD2 3.93Å; V67-L99 HydrophobicContact CG2-CG 4.1Å; A95-L99 VanDerWaalsContact O-CG 3.3Å; A95-L99 WeakPolarHBondContact O-CG 3.36Å; A95-L99 PolarHBondContact O-N 2.87Å; L96-L99 HydrophobicContact CD2-CD1 4.37Å; L96-L99 PolarHBondContact O-N 2.81Å; L99-E103 CarbonylContact O-C 3.54Å; L99-E103 WeakPolarHBondContact O-CB 3.28Å; L99-G104 PolarHBondContact O-N 3Å; L99-G104 VanDerWaalsContact O-N 3.14Å; L99-I105 HydrophobicContact CB-CB 4.43Å; L99-I105 HydrophobicContact CB-CD1 4.14Å; L99-I105 HydrophobicContact CD2-CD1 3.56Å; L99-I105 HydrophobicContact CG-CD1 4.44Å; L99-I105 WeakPolarHBondContact O-CB 3.15Å; L99-I105 PolarHBondContact O-N 3.03Å; L99-L126 HydrophobicContact CD1-CD1 4.17Å; L99-L130 HydrophobicContact CD1-CD2 3.81Å; L99-L130 HydrophobicContact CD2-CD2 3.45Å; L99-L130 VanDerWaalsContact CD2-CD2 3.45Å; L99-L130 HydrophobicContact CG-CD2 4.29Å; L99-Y134 HydrophobicContact CD2-CE2 4.09Å |
| 100 | S | 87.5 | Confident | 88 | Confident | 30 Ų | 30 | 50 Ų | 50 | 21% | 0.21 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -72.6 | -36.5 | -176.5 | -55.9 | 0 | 0 | 0 | 0 | 114 | L96 T97 F98 I105 | L96-S100 WeakPolarHBondContact O-CB 3.48Å; L96-S100 PolarHBondContact O-N 3.12Å; L96-S100 PolarHBondContact O-OG 3.4Å; T97-S100 PolarHBondContact O-N 3.04Å; F98-S100 VanDerWaalsContact C-N 3.32Å; F98-S100 PolarHBondContact O-N 2.71Å; S100-I105 WeakPolarHBondContact CA-O 3.31Å |
| 101 | N | 87.1 | Confident | 88 | Confident | 90 Ų | 90 | 49.2 Ų | 49.2 | 48% | 0.481 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -110.8 | -27.3 | -168.5 | -63 | -1.8 | 0 | 0 | 0 | 113.9 | T97 F98 | T97-N101 VanDerWaalsContact O-CB 3.26Å; T97-N101 WeakPolarHBondContact O-CB 3.4Å; T97-N101 PolarHBondContact O-N 2.85Å; F98-N101 PolarHBondContact O-N 3.3Å |
| 102 | V | 83.2 | Confident | 87.9 | Confident | 78 Ų | 78 | 50.4 Ų | 50.4 | 47% | 0.473 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -28.6 | -179.9 | -169.7 | 0 | 0 | 0 | 0 | 112.2 | K73 F98 | K73-V102 HydrophobicContact CD-CG1 4.23Å; F98-V102 HydrophobicContact CD1-CB 4.34Å; F98-V102 HydrophobicContact CD2-CB 3.92Å; F98-V102 HydrophobicContact CD2-CG1 4.27Å; F98-V102 HydrophobicContact CD2-CG2 3.69Å; F98-V102 HydrophobicContact CE1-CB 4.26Å; F98-V102 HydrophobicContact CE1-CG1 4.39Å; F98-V102 HydrophobicContact CE2-CB 3.84Å; F98-V102 HydrophobicContact CE2-CG1 3.68Å; F98-V102 HydrophobicContact CE2-CG2 3.94Å; F98-V102 HydrophobicContact CG-CB 4.17Å; F98-V102 HydrophobicContact CG-CG2 4.17Å; F98-V102 HydrophobicContact CZ-CB 3.99Å; F98-V102 HydrophobicContact CZ-CG1 3.73Å; F98-V102 WeakPolarHBondContact O-CA 3.47Å; F98-V102 VanDerWaalsContact O-CB 3.29Å; F98-V102 WeakPolarHBondContact O-CB 3.42Å; F98-V102 PolarHBondContact O-N 3.36Å |
| 103 | E | 86.6 | Confident | 87.5 | Confident | 30 Ų | 30 | 52 Ų | 52 | 14% | 0.14 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -109.4 | -9.2 | 178.3 | -46.7 | -61.4 | 124.7 | 0 | 0 | 112.9 | K73 F98 L99 I105 H133 Y134 | K73-E103 WeakPolarHBondContact CD-OE1 3.26Å; K73-E103 WeakPolarHBondContact CE-OE1 3.47Å; K73-E103 IonicContact NZ-OE1 2.93Å; K73-E103 PolarHBondContact NZ-OE1 2.67Å; K73-E103 IonicContact NZ-OE2 2.67Å; K73-E103 PolarHBondContact NZ-OE2 2.89Å; F98-E103 HydrophobicContact CD1-CG 3.96Å; F98-E103 HydrophobicContact CE1-CG 3.56Å; F98-E103 WeakPolarHBondContact CE1-OE1 3.15Å; F98-E103 HydrophobicContact CZ-CG 4.47Å; F98-E103 VanDerWaalsContact CZ-OE1 3.29Å; F98-E103 WeakPolarHBondContact CZ-OE1 3.42Å; F98-E103 PolarHBondContact O-N 3.26Å; L99-E103 CarbonylContact O-C 3.54Å; L99-E103 WeakPolarHBondContact O-CB 3.28Å; E103-I105 VanDerWaalsContact C-N 3.31Å; E103-I105 HydrophobicContact CB-CD1 3.87Å; E103-I105 HydrophobicContact CB-CG1 4.14Å; E103-I105 PolarHBondContact O-N 3.05Å; E103-H133 PolarHBondContact O-CE1 2.91Å; E103-Y134 VanDerWaalsContact CG-OH 3.28Å; E103-Y134 WeakPolarHBondContact CG-OH 3.32Å |
| 104 | G | 80.3 | Confident | 87.3 | Confident | 57 Ų | 57 | 51.3 Ų | 51.3 | 59% | 0.588 | 29% | 0.294 | S | S | * | . | trans | 72.3 | 18 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L99 | L99-G104 PolarHBondContact O-N 3Å; L99-G104 VanDerWaalsContact O-N 3.14Å | ||
| 105 | I | 87 | Confident | 87.2 | Confident | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | trans | -75.1 | 124 | -176.4 | -66.1 | 163.6 | 0 | 0 | 0 | 110.1 | L99 S100 E103 L107 T129 H133 Y134 | L99-I105 HydrophobicContact CB-CB 4.43Å; L99-I105 HydrophobicContact CB-CD1 4.14Å; L99-I105 HydrophobicContact CD2-CD1 3.56Å; L99-I105 HydrophobicContact CG-CD1 4.44Å; L99-I105 WeakPolarHBondContact O-CB 3.15Å; L99-I105 PolarHBondContact O-N 3.03Å; S100-I105 WeakPolarHBondContact CA-O 3.31Å; E103-I105 VanDerWaalsContact C-N 3.31Å; E103-I105 HydrophobicContact CB-CD1 3.87Å; E103-I105 HydrophobicContact CB-CG1 4.14Å; E103-I105 PolarHBondContact O-N 3.05Å; I105-L107 HydrophobicContact CG2-CD2 4.18Å; I105-L107 PolarHBondContact O-N 2.92Å; I105-T129 HydrophobicContact CG2-CG2 3.34Å; I105-H133 HydrophobicContact CD1-CB 4.22Å; I105-H133 HydrophobicContact CG1-CB 4.27Å; I105-Y134 HydrophobicContact CD1-CE2 3.96Å | ||
| 106 | K | 81.5 | Confident | 87.1 | Confident | 186 Ų | 186 | 50.4 Ų | 50.4 | 81% | 0.809 | 29% | 0.289 | S | S | * | . | trans | -79.8 | 104.8 | 171.8 | -70.5 | -169.3 | 176.8 | -171.3 | 0 | 110.4 | ||||
| 107 | L | 80.1 | Confident | 86.8 | Confident | 36 Ų | 36 | 53.1 Ų | 53.1 | 19% | 0.188 | 30% | 0.303 | C | S | . | . | trans | -77.3 | 136.8 | 163 | -57.2 | 178.1 | 0 | 0 | 0 | 108.9 | L96 I105 L126 T129 | L96-L107 HydrophobicContact CB-CD1 3.96Å; L96-L107 HydrophobicContact CD2-CD1 3.88Å; L96-L107 HydrophobicContact CG-CD1 4.35Å; I105-L107 HydrophobicContact CG2-CD2 4.18Å; I105-L107 PolarHBondContact O-N 2.92Å; L107-L126 HydrophobicContact CD2-CD1 3.63Å; L107-T129 HydrophobicContact CD2-CG2 4.33Å | ||
| 108 | V | 70.8 | Confident | 86.9 | Confident | 106 Ų | 106 | 53.4 Ų | 53.4 | 64% | 0.642 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -128.8 | 116.4 | 179.6 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | I110 | V108-I110 VanDerWaalsContact C-N 3.31Å; V108-I110 PolarHBondContact O-N 2.95Å |
| 109 | N | 78.8 | Confident | 86.5 | Confident | 141 Ų | 141 | 57.4 Ų | 57.4 | 75% | 0.754 | 31% | 0.314 | S | S | * | . | S | Bend | trans | 52.9 | 45.2 | -175.9 | -56 | 12 | 0 | 0 | 0 | 112.8 | L122 | N109-L122 WeakPolarHBondContact O-CD2 3.26Š|
| 110 | I | 86.9 | Confident | 86.3 | Confident | 22 Ų | 22 | 59 Ų | 59 | 11% | 0.113 | 32% | 0.322 | C | S | . | . | trans | -139.4 | 118.8 | 172.4 | -57.4 | 171.4 | 0 | 0 | 0 | 107.6 | V108 D114 I115 L122 L126 | V108-I110 VanDerWaalsContact C-N 3.31Å; V108-I110 PolarHBondContact O-N 2.95Å; I110-D114 WeakPolarHBondContact CA-OD2 3.2Å; I110-I115 HydrophobicContact CG2-CD1 4.35Å; I110-L122 HydrophobicContact CG1-CB 4.37Å; I110-L122 HydrophobicContact CG1-CD2 4.37Å; I110-L126 HydrophobicContact CD1-CB 4.17Å; I110-L126 HydrophobicContact CG2-CB 4.43Å | ||
| 111 | D | 87.8 | Confident | 86.1 | Confident | 84 Ų | 84 | 66.2 Ų | 66.2 | 45% | 0.449 | 35% | 0.35 | S | S | . | . | trans | -124.1 | -172.4 | 172.8 | 78.4 | 54.6 | 0 | 0 | 0 | 113.1 | L96 S113 D114 | L96-D111 WeakPolarHBondContact CD1-O 3.49Å; D111-S113 VanDerWaalsContact C-N 3.34Å; D111-S113 PolarHBondContact O-N 2.79Å; D111-S113 WeakPolarHBondContact OD1-CA 3.31Å; D111-S113 WeakPolarHBondContact OD1-CB 3.39Å; D111-S113 PolarHBondContact OD1-N 3.29Å; D111-S113 PolarHBondContact OD1-OG 2.63Å; D111-D114 PolarHBondContact N-OD2 3.19Å | ||
| 112 | S | 92.7 | Very high | 86.2 | Confident | 26 Ų | 26 | 64.4 Ų | 64.4 | 18% | 0.182 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.7 | -28.9 | -176.2 | 68.1 | 0 | 0 | 0 | 0 | 114.4 | S93 V116 | S93-S112 WeakPolarHBondContact OG-CB 3.48Å; S112-V116 WeakPolarHBondContact O-CG2 3.45Å; S112-V116 PolarHBondContact O-N 2.78Å |
| 113 | S | 89.7 | Confident | 86.7 | Confident | 34 Ų | 34 | 60.7 Ų | 60.7 | 24% | 0.238 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -70.4 | -36.7 | 177.7 | 67.4 | 0 | 0 | 0 | 0 | 111.7 | D111 I115 V116 D117 | D111-S113 VanDerWaalsContact C-N 3.34Å; D111-S113 PolarHBondContact O-N 2.79Å; D111-S113 WeakPolarHBondContact OD1-CA 3.31Å; D111-S113 WeakPolarHBondContact OD1-CB 3.39Å; D111-S113 PolarHBondContact OD1-N 3.29Å; D111-S113 PolarHBondContact OD1-OG 2.63Å; S113-I115 PolarHBondContact O-N 3.09Å; S113-I115 VanDerWaalsContact O-N 3.13Å; S113-V116 PolarHBondContact O-N 2.86Å; S113-D117 VanDerWaalsContact O-CB 3.27Å; S113-D117 WeakPolarHBondContact O-CB 3.25Å; S113-D117 PolarHBondContact O-N 2.91Å |
| 114 | D | 90.2 | Very high | 87 | Confident | 23 Ų | 23 | 60 Ų | 60 | 12% | 0.123 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.4 | -32.7 | 178.6 | -66.2 | -50.7 | 0 | 0 | 0 | 113.6 | I110 D111 Q118 R119 L122 | I110-D114 WeakPolarHBondContact CA-OD2 3.2Å; D111-D114 PolarHBondContact N-OD2 3.19Å; D114-Q118 PolarHBondContact O-N 2.99Å; D114-R119 HydrophobicContact CB-CB 4.28Å; D114-R119 HydrophobicContact CB-CG 4.29Å; D114-R119 VanDerWaalsContact O-CB 3.28Å; D114-R119 WeakPolarHBondContact O-CB 3.48Å; D114-R119 WeakPolarHBondContact O-CG 3.28Å; D114-R119 PolarHBondContact O-N 3.16Å; D114-L122 HydrophobicContact CB-CB 4.17Å; D114-L122 HydrophobicContact CB-CD1 4.11Å; D114-L122 VanDerWaalsContact CG-CD1 3.42Å; D114-L122 WeakPolarHBondContact OD1-CD1 3.34Å |
| 115 | I | 93.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -87.9 | -36.2 | -179.9 | -43.2 | -57 | 0 | 0 | 0 | 111.5 | L57 L63 V92 I110 S113 I123 L126 | L57-I115 HydrophobicContact CB-CG2 3.93Å; L63-I115 HydrophobicContact CD2-CG2 4.38Å; V92-I115 HydrophobicContact CG1-CB 3.82Å; V92-I115 HydrophobicContact CG1-CG1 3.87Å; V92-I115 HydrophobicContact CG1-CG2 4.4Å; V92-I115 HydrophobicContact CG2-CB 4.27Å; V92-I115 HydrophobicContact CG2-CG2 4.24Å; I110-I115 HydrophobicContact CG2-CD1 4.35Å; S113-I115 PolarHBondContact O-N 3.09Å; S113-I115 VanDerWaalsContact O-N 3.13Å; I115-I123 HydrophobicContact CD1-CG1 3.73Å; I115-L126 HydrophobicContact CD1-CD2 3.65Å; I115-L126 HydrophobicContact CG1-CD2 4.15Å |
| 116 | V | 92.3 | Very high | 88 | Confident | 10 Ų | 10 | 58 Ų | 58 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -74.6 | -31.1 | 178.6 | 176.1 | 0 | 0 | 0 | 0 | 111.9 | T58 R85 K88 L89 V92 S112 S113 | T58-V116 WeakPolarHBondContact CG2-O 3.34Å; R85-V116 HydrophobicContact CG-CG1 3.79Å; K88-V116 HydrophobicContact CB-CG1 4.01Å; K88-V116 HydrophobicContact CB-CG2 4Å; K88-V116 HydrophobicContact CD-CG1 4.46Å; L89-V116 HydrophobicContact CD2-CB 3.95Å; L89-V116 HydrophobicContact CD2-CG1 4.34Å; L89-V116 HydrophobicContact CD2-CG2 3.82Å; L89-V116 HydrophobicContact CG-CB 4.41Å; L89-V116 HydrophobicContact CG-CG1 4.33Å; L89-V116 HydrophobicContact CG-CG2 4.12Å; V92-V116 HydrophobicContact CB-CG2 4.22Å; V92-V116 HydrophobicContact CG2-CG2 3.72Å; S112-V116 WeakPolarHBondContact O-CG2 3.45Å; S112-V116 PolarHBondContact O-N 2.78Å; S113-V116 PolarHBondContact O-N 2.86Å |
| 117 | D | 89.1 | Confident | 88.7 | Confident | 67 Ų | 67 | 49.1 Ų | 49.1 | 36% | 0.358 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 23.5 | 177.6 | -49.6 | -24.8 | 0 | 0 | 0 | 111.6 | R85 S113 R119 | R85-D117 IonicContact CZ-OD1 2.67Å; R85-D117 VanDerWaalsContact CZ-OD1 3.28Å; R85-D117 IonicContact CZ-OD2 2.75Å; R85-D117 IonicContact NE-OD1 3.77Å; R85-D117 PolarHBondContact NE-OD1 2.84Å; R85-D117 IonicContact NH2-OD1 2.76Å; R85-D117 PolarHBondContact NH2-OD1 2.92Å; R85-D117 IonicContact NH2-OD2 2.7Å; R85-D117 PolarHBondContact NH2-OD2 2.98Å; S113-D117 VanDerWaalsContact O-CB 3.27Å; S113-D117 WeakPolarHBondContact O-CB 3.25Å; S113-D117 PolarHBondContact O-N 2.91Å; D117-R119 PolarHBondContact O-N 2.92Å |
| 118 | Q | 92.3 | Very high | 89.5 | Confident | 81 Ų | 81 | 49.4 Ų | 49.4 | 38% | 0.379 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 37.2 | 160.4 | -59.1 | -177.2 | -12.9 | 0 | 0 | 115.7 | E54 T58 D114 L120 | E54-Q118 HydrophobicContact CG-CB 4.22Å; T58-Q118 VanDerWaalsContact OG1-CG 3.29Å; T58-Q118 WeakPolarHBondContact OG1-CG 3.3Å; T58-Q118 PolarHBondContact OG1-NE2 2.7Å; D114-Q118 PolarHBondContact O-N 2.99Å; Q118-L120 PolarHBondContact O-N 2.76Å |
| 119 | R | 86.2 | Confident | 90.5 | Very high | 96 Ų | 96 | 45.7 Ų | 45.7 | 36% | 0.362 | 23% | 0.234 | S | C | . | . | trans | -77.5 | 79.1 | -178.2 | -56.1 | -56.1 | -158.3 | 166.8 | 5.2 | 112.2 | D114 D117 K121 L122 I123 H1963 | D114-R119 HydrophobicContact CB-CB 4.28Å; D114-R119 HydrophobicContact CB-CG 4.29Å; D114-R119 VanDerWaalsContact O-CB 3.28Å; D114-R119 WeakPolarHBondContact O-CB 3.48Å; D114-R119 WeakPolarHBondContact O-CG 3.28Å; D114-R119 PolarHBondContact O-N 3.16Å; D117-R119 PolarHBondContact O-N 2.92Å; R119-K121 VanDerWaalsContact C-N 3.26Å; R119-K121 PolarHBondContact O-N 2.94Å; R119-L122 HydrophobicContact CB-CB 4.26Å; R119-L122 HydrophobicContact CB-CD1 4.36Å; R119-L122 WeakPolarHBondContact O-CA 3.25Å; R119-L122 PolarHBondContact O-N 3.2Å; R119-I123 PolarHBondContact O-N 2.85Å; R119-H1963 PolarHBondContact NH1-CD2 2.83Å; R119-H1963 PolarHBondContact NH1-CE1 3.45Å; R119-H1963 VanDerWaalsContact NH1-CE1 3.26Å; R119-H1963 VanDerWaalsContact NH1-CG 3.25Å; R119-H1963 PolarHBondContact NH1-ND1 3.25Å; R119-H1963 PolarHBondContact NH1-NE2 3.08Å; R119-H1963 PolarHBondContact NH2-CE1 2.92Å; R119-H1963 VanDerWaalsContact NH2-CE1 3.32Å; R119-H1963 PolarHBondContact NH2-NE2 2.95Å | ||
| 120 | L | 88.9 | Confident | 91.3 | Very high | 33 Ų | 33 | 39 Ų | 39 | 17% | 0.173 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -43.4 | -42.2 | -174.8 | 176.4 | 62.5 | 0 | 0 | 0 | 115.5 | Q32 E54 Q118 L122 I123 L124 | Q32-L120 HydrophobicContact CG-CD1 4.46Å; E54-L120 HydrophobicContact CB-CD1 4.26Å; E54-L120 HydrophobicContact CG-CB 3.99Å; E54-L120 VanDerWaalsContact OE1-CB 3.24Å; E54-L120 WeakPolarHBondContact OE1-CB 3.43Å; Q118-L120 PolarHBondContact O-N 2.76Å; L120-L122 VanDerWaalsContact C-N 3.31Å; L120-L122 PolarHBondContact O-N 2.97Å; L120-I123 PolarHBondContact O-N 3.11Å; L120-L124 HydrophobicContact CD1-CD1 3.97Å; L120-L124 HydrophobicContact CD1-CD2 4.32Å; L120-L124 HydrophobicContact CD1-CG 3.82Å; L120-L124 HydrophobicContact CG-CD1 4.02Å; L120-L124 HydrophobicContact CG-CG 4.3Å; L120-L124 WeakPolarHBondContact O-CB 3.34Å; L120-L124 VanDerWaalsContact O-CG 3.28Å; L120-L124 WeakPolarHBondContact O-CG 3.33Å; L120-L124 PolarHBondContact O-N 2.91Å |
| 121 | K | 83.5 | Confident | 91.6 | Very high | 182 Ų | 182 | 38 Ų | 38 | 79% | 0.791 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -62.1 | -37.1 | 178.9 | -173.3 | -175.3 | 174.2 | -168.9 | 0 | 112.8 | R119 G125 | R119-K121 VanDerWaalsContact C-N 3.26Å; R119-K121 PolarHBondContact O-N 2.94Å; K121-G125 PolarHBondContact O-N 3.29Å; K121-G125 VanDerWaalsContact O-N 3.07Å |
| 122 | L | 88.9 | Confident | 91.8 | Very high | 53 Ų | 53 | 36.2 Ų | 36.2 | 28% | 0.277 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -84.6 | -30.4 | 179.2 | -61.8 | 178.2 | 0 | 0 | 0 | 111.3 | N109 I110 D114 R119 L120 G125 L126 | N109-L122 WeakPolarHBondContact O-CD2 3.26Å; I110-L122 HydrophobicContact CG1-CB 4.37Å; I110-L122 HydrophobicContact CG1-CD2 4.37Å; D114-L122 HydrophobicContact CB-CB 4.17Å; D114-L122 HydrophobicContact CB-CD1 4.11Å; D114-L122 VanDerWaalsContact CG-CD1 3.42Å; D114-L122 WeakPolarHBondContact OD1-CD1 3.34Å; R119-L122 HydrophobicContact CB-CB 4.26Å; R119-L122 HydrophobicContact CB-CD1 4.36Å; R119-L122 WeakPolarHBondContact O-CA 3.25Å; R119-L122 PolarHBondContact O-N 3.2Å; L120-L122 VanDerWaalsContact C-N 3.31Å; L120-L122 PolarHBondContact O-N 2.97Å; L122-G125 CarbonylContact O-C 3.55Å; L122-G125 WeakPolarHBondContact O-CA 3.49Å; L122-G125 PolarHBondContact O-N 3.32Å; L122-L126 PolarHBondContact O-N 2.95Å |
| 123 | I | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.5 | -48.5 | 167 | -64.2 | 169.5 | 0 | 0 | 0 | 110.7 | L53 L57 I115 R119 L120 G125 L126 I127 | L53-I123 HydrophobicContact CG-CG2 4.19Å; L57-I123 HydrophobicContact CD1-CG2 3.94Å; I115-I123 HydrophobicContact CD1-CG1 3.73Å; R119-I123 PolarHBondContact O-N 2.85Å; L120-I123 PolarHBondContact O-N 3.11Å; I123-G125 VanDerWaalsContact C-N 3.26Å; I123-G125 PolarHBondContact O-N 2.83Å; I123-L126 WeakPolarHBondContact O-CB 3.47Å; I123-L126 PolarHBondContact O-N 2.81Å; I123-L126 VanDerWaalsContact O-N 3.14Å; I123-I127 HydrophobicContact CG2-CG1 4.48Å; I123-I127 WeakPolarHBondContact O-CG1 3.3Å; I123-I127 PolarHBondContact O-N 2.82Å |
| 124 | L | 92.9 | Very high | 91.8 | Very high | 14 Ų | 14 | 36.5 Ų | 36.5 | 7% | 0.073 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.8 | -37.1 | 172.9 | -69.9 | 172.4 | 0 | 0 | 0 | 111.3 | Q32 F35 L53 L120 W128 | Q32-L124 HydrophobicContact CB-CD2 4.37Å; F35-L124 HydrophobicContact CB-CD2 4.46Å; F35-L124 HydrophobicContact CD2-CB 4.45Å; F35-L124 HydrophobicContact CD2-CD2 3.6Å; F35-L124 HydrophobicContact CE2-CB 4.4Å; F35-L124 HydrophobicContact CE2-CD2 4.23Å; F35-L124 WeakPolarHBondContact CE2-O 3.19Å; F35-L124 HydrophobicContact CG-CD2 4.39Å; L53-L124 HydrophobicContact CD2-CD2 3.95Å; L120-L124 HydrophobicContact CD1-CD1 3.97Å; L120-L124 HydrophobicContact CD1-CD2 4.32Å; L120-L124 HydrophobicContact CD1-CG 3.82Å; L120-L124 HydrophobicContact CG-CD1 4.02Å; L120-L124 HydrophobicContact CG-CG 4.3Å; L120-L124 WeakPolarHBondContact O-CB 3.34Å; L120-L124 VanDerWaalsContact O-CG 3.28Å; L120-L124 WeakPolarHBondContact O-CG 3.33Å; L120-L124 PolarHBondContact O-N 2.91Å; L124-W128 VanDerWaalsContact O-CB 3.26Å; L124-W128 WeakPolarHBondContact O-CB 3.37Å; L124-W128 PolarHBondContact O-N 3.23Å |
| 125 | G | 92.7 | Very high | 91.8 | Very high | 24 Ų | 24 | 36 Ų | 36 | 25% | 0.247 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.9 | -48.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K121 L122 I123 W128 T129 | K121-G125 PolarHBondContact O-N 3.29Å; K121-G125 VanDerWaalsContact O-N 3.07Å; L122-G125 CarbonylContact O-C 3.55Å; L122-G125 WeakPolarHBondContact O-CA 3.49Å; L122-G125 PolarHBondContact O-N 3.32Å; I123-G125 VanDerWaalsContact C-N 3.26Å; I123-G125 PolarHBondContact O-N 2.83Å; G125-W128 PolarHBondContact O-N 2.67Å; G125-T129 PolarHBondContact O-N 2.83Å; G125-T129 PolarHBondContact O-OG1 3.27Å |
| 126 | L | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.2 | -49.1 | 177.4 | 178.2 | 63.5 | 0 | 0 | 0 | 111.4 | L63 L96 L99 L107 I110 I115 L122 I123 W128 T129 L130 | L63-L126 HydrophobicContact CD1-CD2 4.15Å; L63-L126 HydrophobicContact CD2-CD2 4.15Å; L96-L126 HydrophobicContact CD2-CD1 3.8Å; L96-L126 HydrophobicContact CD2-CD2 3.77Å; L96-L126 HydrophobicContact CD2-CG 4.47Å; L99-L126 HydrophobicContact CD1-CD1 4.17Å; L107-L126 HydrophobicContact CD2-CD1 3.63Å; I110-L126 HydrophobicContact CD1-CB 4.17Å; I110-L126 HydrophobicContact CG2-CB 4.43Å; I115-L126 HydrophobicContact CD1-CD2 3.65Å; I115-L126 HydrophobicContact CG1-CD2 4.15Å; L122-L126 PolarHBondContact O-N 2.95Å; I123-L126 WeakPolarHBondContact O-CB 3.47Å; I123-L126 PolarHBondContact O-N 2.81Å; I123-L126 VanDerWaalsContact O-N 3.14Å; L126-W128 VanDerWaalsContact C-N 3.34Å; L126-W128 PolarHBondContact O-N 2.97Å; L126-T129 WeakPolarHBondContact O-CA 3.42Å; L126-T129 WeakPolarHBondContact O-CB 3.33Å; L126-T129 PolarHBondContact O-N 3.5Å; L126-T129 VanDerWaalsContact O-N 3.11Å; L126-L130 WeakPolarHBondContact O-CG 3.46Å; L126-L130 PolarHBondContact O-N 2.64Å |
| 127 | I | 97.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.6 | -38 | 179.9 | -59.1 | -58.6 | 0 | 0 | 0 | 110.9 | F35 W38 V39 L53 L57 L66 I123 T129 L130 I131 | F35-I127 HydrophobicContact CB-CG2 3.82Å; F35-I127 HydrophobicContact CD2-CB 4.11Å; F35-I127 HydrophobicContact CD2-CG2 3.96Å; F35-I127 HydrophobicContact CG-CG2 4.02Å; W38-I127 HydrophobicContact CE3-CG2 4.28Å; W38-I127 HydrophobicContact CZ3-CG2 4.41Å; V39-I127 HydrophobicContact CG2-CD1 4.07Å; V39-I127 HydrophobicContact CG2-CG2 4.03Å; L53-I127 HydrophobicContact CD1-CD1 4.49Å; L53-I127 HydrophobicContact CD1-CG1 4.21Å; L53-I127 HydrophobicContact CD2-CG1 4.31Å; L57-I127 HydrophobicContact CD1-CD1 4.18Å; L66-I127 HydrophobicContact CD2-CD1 4.2Å; I123-I127 HydrophobicContact CG2-CG1 4.48Å; I123-I127 WeakPolarHBondContact O-CG1 3.3Å; I123-I127 PolarHBondContact O-N 2.82Å; I127-T129 PolarHBondContact O-N 3.08Å; I127-L130 HydrophobicContact CD1-CD1 3.93Å; I127-L130 WeakPolarHBondContact O-CB 3.37Å; I127-L130 PolarHBondContact O-N 3.22Å; I127-I131 HydrophobicContact CG2-CD1 3.91Å; I127-I131 HydrophobicContact CG2-CG1 4.48Å; I127-I131 WeakPolarHBondContact O-CD1 3.46Å; I127-I131 VanDerWaalsContact O-CG1 3.31Å; I127-I131 WeakPolarHBondContact O-CG1 3.49Å; I127-I131 PolarHBondContact O-N 3.36Å |
| 128 | W | 95.2 | Very high | 90.8 | Very high | 41 Ų | 41 | 37.3 Ų | 37.3 | 16% | 0.155 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.6 | -43.4 | 169.5 | 174.3 | -118.2 | 0 | 0 | 0 | 111.9 | F35 L124 G125 L126 L130 I131 L132 I136 L247 M250 | F35-W128 HydrophobicContact CE1-CE3 4.3Å; F35-W128 HydrophobicContact CE2-CB 3.8Å; F35-W128 HydrophobicContact CZ-CB 3.91Å; F35-W128 HydrophobicContact CZ-CD2 4.45Å; F35-W128 AromaticContact CZ-CE3 3.92Å; F35-W128 HydrophobicContact CZ-CE3 3.92Å; F35-W128 HydrophobicContact CZ-CG 4.49Å; L124-W128 VanDerWaalsContact O-CB 3.26Å; L124-W128 WeakPolarHBondContact O-CB 3.37Å; L124-W128 PolarHBondContact O-N 3.23Å; G125-W128 PolarHBondContact O-N 2.67Å; L126-W128 VanDerWaalsContact C-N 3.34Å; L126-W128 PolarHBondContact O-N 2.97Å; W128-L130 VanDerWaalsContact C-N 3.29Å; W128-L130 PolarHBondContact O-N 2.57Å; W128-I131 HydrophobicContact CE3-CB 4.18Å; W128-I131 HydrophobicContact CE3-CG2 4.08Å; W128-I131 HydrophobicContact CZ3-CG2 3.91Å; W128-I131 PolarHBondContact O-N 2.84Å; W128-L132 HydrophobicContact CH2-CD1 4.36Å; W128-L132 HydrophobicContact CZ2-CB 4.42Å; W128-L132 HydrophobicContact CZ2-CD1 3.83Å; W128-L132 WeakPolarHBondContact O-CB 3.36Å; W128-L132 PolarHBondContact O-N 3.22Å; W128-I136 HydrophobicContact CH2-CD1 4.24Å; W128-L247 HydrophobicContact CD2-CB 4.12Å; W128-L247 HydrophobicContact CD2-CD1 4.08Å; W128-L247 HydrophobicContact CD2-CD2 4.38Å; W128-L247 HydrophobicContact CD2-CG 4.42Å; W128-L247 HydrophobicContact CE3-CB 3.84Å; W128-L247 HydrophobicContact CG-CD1 4.09Å; W128-L247 HydrophobicContact CH2-CB 4.21Å; W128-L247 HydrophobicContact CH2-CD2 4.09Å; W128-L247 HydrophobicContact CZ2-CB 4.48Å; W128-L247 HydrophobicContact CZ2-CD2 3.71Å; W128-L247 HydrophobicContact CZ3-CB 3.89Å; W128-M250 HydrophobicContact CH2-CB 3.92Å; W128-M250 HydrophobicContact CH2-CE 3.93Å; W128-M250 HydrophobicContact CH2-SD 4.08Å; W128-M250 HydrophobicContact CZ2-CE 4.36Å; W128-M250 HydrophobicContact CZ3-CB 4.32Å |
| 129 | T | 92.5 | Very high | 89.9 | Confident | 29 Ų | 29 | 34.4 Ų | 34.4 | 18% | 0.178 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.7 | -38.4 | 175.1 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | I105 L107 G125 L126 I127 H133 | I105-T129 HydrophobicContact CG2-CG2 3.34Å; L107-T129 HydrophobicContact CD2-CG2 4.33Å; G125-T129 PolarHBondContact O-N 2.83Å; G125-T129 PolarHBondContact O-OG1 3.27Å; L126-T129 WeakPolarHBondContact O-CA 3.42Å; L126-T129 WeakPolarHBondContact O-CB 3.33Å; L126-T129 PolarHBondContact O-N 3.5Å; L126-T129 VanDerWaalsContact O-N 3.11Å; I127-T129 PolarHBondContact O-N 3.08Å; T129-H133 WeakPolarHBondContact O-CB 3.45Å; T129-H133 PolarHBondContact O-N 2.6Å |
| 130 | L | 94.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.5 | -46.6 | 172.6 | -64.1 | 179.4 | 0 | 0 | 0 | 112.1 | W38 L66 L70 L99 L126 I127 W128 H133 Y134 | W38-L130 HydrophobicContact CH2-CB 3.95Å; W38-L130 HydrophobicContact CZ3-CB 4.22Å; L66-L130 HydrophobicContact CD2-CD1 3.99Å; L70-L130 HydrophobicContact CD1-CB 4.36Å; L70-L130 HydrophobicContact CD1-CD1 4.2Å; L70-L130 HydrophobicContact CD1-CD2 4.49Å; L99-L130 HydrophobicContact CD1-CD2 3.81Å; L99-L130 HydrophobicContact CD2-CD2 3.45Å; L99-L130 VanDerWaalsContact CD2-CD2 3.45Å; L99-L130 HydrophobicContact CG-CD2 4.29Å; L126-L130 WeakPolarHBondContact O-CG 3.46Å; L126-L130 PolarHBondContact O-N 2.64Å; I127-L130 HydrophobicContact CD1-CD1 3.93Å; I127-L130 WeakPolarHBondContact O-CB 3.37Å; I127-L130 PolarHBondContact O-N 3.22Å; W128-L130 VanDerWaalsContact C-N 3.29Å; W128-L130 PolarHBondContact O-N 2.57Å; L130-H133 PolarHBondContact O-N 3.26Å; L130-Y134 HydrophobicContact CB-CD2 4.35Å; L130-Y134 HydrophobicContact CD2-CD2 4.16Å; L130-Y134 HydrophobicContact CD2-CE2 3.79Å; L130-Y134 WeakPolarHBondContact O-CB 3.25Å; L130-Y134 WeakPolarHBondContact O-CD2 3.43Å; L130-Y134 PolarHBondContact O-N 2.94Å |
| 131 | I | 94.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.6 | -50.4 | 177.4 | -69.4 | 158.4 | 0 | 0 | 0 | 110.4 | F35 W38 I127 W128 H133 S135 I136 T251 | F35-I131 HydrophobicContact CD1-CD1 3.45Å; F35-I131 VanDerWaalsContact CD1-CD1 3.45Å; F35-I131 HydrophobicContact CD2-CD1 4.34Å; F35-I131 HydrophobicContact CE1-CD1 3.64Å; F35-I131 HydrophobicContact CE2-CD1 4.5Å; F35-I131 HydrophobicContact CG-CD1 3.85Å; F35-I131 HydrophobicContact CZ-CD1 4.18Å; W38-I131 HydrophobicContact CD2-CD1 4.17Å; W38-I131 HydrophobicContact CD2-CG1 3.55Å; W38-I131 HydrophobicContact CE3-CD1 4.27Å; W38-I131 HydrophobicContact CE3-CG1 3.76Å; W38-I131 HydrophobicContact CG-CD1 4.35Å; W38-I131 HydrophobicContact CG-CG1 4.07Å; W38-I131 HydrophobicContact CH2-CG1 4Å; W38-I131 HydrophobicContact CZ2-CB 4.44Å; W38-I131 HydrophobicContact CZ2-CG1 3.8Å; W38-I131 HydrophobicContact CZ3-CG1 3.98Å; I127-I131 HydrophobicContact CG2-CD1 3.91Å; I127-I131 HydrophobicContact CG2-CG1 4.48Å; I127-I131 WeakPolarHBondContact O-CD1 3.46Å; I127-I131 VanDerWaalsContact O-CG1 3.31Å; I127-I131 WeakPolarHBondContact O-CG1 3.49Å; I127-I131 PolarHBondContact O-N 3.36Å; W128-I131 HydrophobicContact CE3-CB 4.18Å; W128-I131 HydrophobicContact CE3-CG2 4.08Å; W128-I131 HydrophobicContact CZ3-CG2 3.91Å; W128-I131 PolarHBondContact O-N 2.84Å; I131-H133 VanDerWaalsContact C-N 3.28Å; I131-H133 PolarHBondContact O-N 2.93Å; I131-S135 WeakPolarHBondContact O-CA 3.46Å; I131-S135 VanDerWaalsContact O-CB 3.23Å; I131-S135 WeakPolarHBondContact O-CB 3.28Å; I131-S135 PolarHBondContact O-N 2.77Å; I131-I136 PolarHBondContact O-N 3.06Å; I131-T251 HydrophobicContact CD1-CG2 3.84Å; I131-T251 HydrophobicContact CG1-CG2 4.25Å; I131-T251 HydrophobicContact CG2-CG2 3.98Å |
| 132 | L | 91.6 | Very high | 87.3 | Confident | 47 Ų | 47 | 28.7 Ų | 28.7 | 25% | 0.246 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -56.2 | -42.8 | 179.2 | -174.3 | 66.8 | 0 | 0 | 0 | 111.2 | W128 S137 P160 | W128-L132 HydrophobicContact CH2-CD1 4.36Å; W128-L132 HydrophobicContact CZ2-CB 4.42Å; W128-L132 HydrophobicContact CZ2-CD1 3.83Å; W128-L132 WeakPolarHBondContact O-CB 3.36Å; W128-L132 PolarHBondContact O-N 3.22Å; L132-S137 VanDerWaalsContact O-CB 3.3Å; L132-S137 WeakPolarHBondContact O-CB 3.39Å; L132-S137 PolarHBondContact O-N 3.24Å; L132-S137 PolarHBondContact O-OG 3.46Å; L132-P160 HydrophobicContact CD1-CB 3.61Å; L132-P160 HydrophobicContact CD1-CG 3.98Å; L132-P160 HydrophobicContact CG-CB 4.45Å; L132-P160 HydrophobicContact CG-CG 4.39Å |
| 133 | H | 90.4 | Very high | 85.7 | Confident | 38 Ų | 38 | 28.5 Ų | 28.5 | 18% | 0.176 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -73.4 | -62.4 | 177.2 | -168.5 | 86.1 | 0 | 0 | 0 | 111.9 | E103 I105 T129 L130 I131 S137 V138 | E103-H133 PolarHBondContact O-CE1 2.91Å; I105-H133 HydrophobicContact CD1-CB 4.22Å; I105-H133 HydrophobicContact CG1-CB 4.27Å; T129-H133 WeakPolarHBondContact O-CB 3.45Å; T129-H133 PolarHBondContact O-N 2.6Å; L130-H133 PolarHBondContact O-N 3.26Å; I131-H133 VanDerWaalsContact C-N 3.28Å; I131-H133 PolarHBondContact O-N 2.93Å; H133-S137 PolarHBondContact O-N 3Å; H133-V138 WeakPolarHBondContact NE2-CG2 3.35Å; H133-V138 WeakPolarHBondContact O-CB 3.06Å; H133-V138 PolarHBondContact O-N 2.86Å |
| 134 | Y | 91.6 | Very high | 83.8 | Confident | 28 Ų | 28 | 28.9 Ų | 28.9 | 11% | 0.11 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -83.6 | -14.2 | -168.1 | -67.9 | -75.2 | 0 | 0 | 0 | 116.1 | L70 L99 E103 I105 L130 P139 | L70-Y134 HydrophobicContact CB-CD1 3.95Å; L70-Y134 HydrophobicContact CB-CD2 3.93Å; L70-Y134 HydrophobicContact CB-CE1 3.97Å; L70-Y134 HydrophobicContact CB-CE2 3.95Å; L70-Y134 HydrophobicContact CB-CG 3.91Å; L70-Y134 HydrophobicContact CD1-CD2 3.94Å; L70-Y134 HydrophobicContact CD1-CE2 4.2Å; L70-Y134 HydrophobicContact CD1-CG 4.49Å; L70-Y134 HydrophobicContact CD2-CG 4.34Å; L70-Y134 HydrophobicContact CG-CD2 4.38Å; L70-Y134 HydrophobicContact CG-CG 4.48Å; L99-Y134 HydrophobicContact CD2-CE2 4.09Å; E103-Y134 VanDerWaalsContact CG-OH 3.28Å; E103-Y134 WeakPolarHBondContact CG-OH 3.32Å; I105-Y134 HydrophobicContact CD1-CE2 3.96Å; L130-Y134 HydrophobicContact CB-CD2 4.35Å; L130-Y134 HydrophobicContact CD2-CD2 4.16Å; L130-Y134 HydrophobicContact CD2-CE2 3.79Å; L130-Y134 WeakPolarHBondContact O-CB 3.25Å; L130-Y134 WeakPolarHBondContact O-CD2 3.43Å; L130-Y134 PolarHBondContact O-N 2.94Å; Y134-P139 WeakPolarHBondContact O-CG 3.24Å |
| 135 | S | 90.6 | Very high | 81.9 | Confident | 14 Ų | 14 | 35.5 Ų | 35.5 | 10% | 0.098 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -109.4 | -24.5 | 176.4 | -48.6 | 0 | 0 | 0 | 0 | 112.9 | W38 I131 S254 | W38-S135 WeakPolarHBondContact CZ2-OG 3.16Å; W38-S135 PolarHBondContact NE1-OG 2.88Å; I131-S135 WeakPolarHBondContact O-CA 3.46Å; I131-S135 VanDerWaalsContact O-CB 3.23Å; I131-S135 WeakPolarHBondContact O-CB 3.28Å; I131-S135 PolarHBondContact O-N 2.77Å; S135-S254 WeakPolarHBondContact CB-OG 3.26Å |
| 136 | I | 88.5 | Confident | 79.9 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -121.7 | -42.4 | -172.2 | -45.9 | -178.4 | 0 | 0 | 0 | 113.8 | W128 I131 W141 P160 R163 L164 M250 | W128-I136 HydrophobicContact CH2-CD1 4.24Å; I131-I136 PolarHBondContact O-N 3.06Å; I136-W141 HydrophobicContact CG2-CH2 4.24Å; I136-W141 HydrophobicContact CG2-CZ2 4.26Å; I136-P160 HydrophobicContact CB-CB 4.35Å; I136-P160 HydrophobicContact CG2-CB 3.76Å; I136-P160 WeakPolarHBondContact CG2-O 3.27Å; I136-R163 PolarHBondContact O-NH1 2.72Å; I136-L164 HydrophobicContact CD1-CD2 4.27Å; I136-L164 HydrophobicContact CG2-CB 4.13Å; I136-M250 HydrophobicContact CD1-CB 4.2Å; I136-M250 HydrophobicContact CD1-CE 3.71Å |
| 137 | S | 84.3 | Confident | 77.4 | Confident | 32 Ų | 32 | 46 Ų | 46 | 22% | 0.224 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -89.8 | -43.9 | -171.4 | -52.4 | 0 | 0 | 0 | 0 | 113.7 | L132 H133 P160 R163 | L132-S137 VanDerWaalsContact O-CB 3.3Å; L132-S137 WeakPolarHBondContact O-CB 3.39Å; L132-S137 PolarHBondContact O-N 3.24Å; L132-S137 PolarHBondContact O-OG 3.46Å; H133-S137 PolarHBondContact O-N 3Å; S137-P160 WeakPolarHBondContact OG-CG 3.31Å; S137-R163 PolarHBondContact O-NH1 2.74Å |
| 138 | V | 80.7 | Confident | 75 | Confident | 71 Ų | 71 | 51.4 Ų | 51.4 | 43% | 0.43 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -87.8 | -39.2 | -174.6 | 174.5 | 0 | 0 | 0 | 0 | 114.4 | H133 I140 | H133-V138 WeakPolarHBondContact NE2-CG2 3.35Å; H133-V138 WeakPolarHBondContact O-CB 3.06Å; H133-V138 PolarHBondContact O-N 2.86Å; V138-I140 PolarHBondContact O-N 2.92Å |
| 139 | P | 74.2 | Confident | 72.7 | Confident | 20 Ų | 20 | 55.1 Ų | 55.1 | 13% | 0.13 | 28% | 0.284 | C | S | . | . | trans | -61.5 | 143.7 | -173.1 | -25.5 | 35.2 | 0 | 0 | 0 | 113.4 | Y134 R163 H258 | Y134-P139 WeakPolarHBondContact O-CG 3.24Å; P139-R163 PolarHBondContact O-NH1 3.44Å; P139-R163 PolarHBondContact O-NH2 3.19Å; P139-H258 WeakPolarHBondContact CB-NE2 3.33Å | ||
| 140 | I | 68.9 | Low | 70.5 | Confident | 99 Ų | 99 | 56.6 Ų | 56.6 | 51% | 0.508 | 31% | 0.305 | S | S | . | . | trans | -88.3 | 107.6 | 170.3 | -59.3 | 177 | 0 | 0 | 0 | 105.9 | V138 D144 R145 H258 | V138-I140 PolarHBondContact O-N 2.92Å; I140-D144 HydrophobicContact CG2-CB 3.74Å; I140-R145 HydrophobicContact CG2-CG 4.22Å; I140-H258 PolarHBondContact O-CE1 2.98Å | ||
| 141 | W | 73.3 | Confident | 68 | Low | 1 Ų | 1 | 59.4 Ų | 59.4 | 0% | 0.004 | 32% | 0.322 | C | S | . | . | trans | -75.1 | 162.6 | 178.3 | -65.5 | -16.6 | 0 | 0 | 0 | 110.2 | I136 D143 D144 R163 L164 W167 P257 H258 | I136-W141 HydrophobicContact CG2-CH2 4.24Å; I136-W141 HydrophobicContact CG2-CZ2 4.26Å; W141-D143 VanDerWaalsContact C-N 3.26Å; W141-D143 PolarHBondContact O-N 3.05Å; W141-D144 PolarHBondContact N-OD2 3.47Å; W141-D144 VanDerWaalsContact O-CB 3.3Å; W141-D144 WeakPolarHBondContact O-CB 3.42Å; W141-D144 PolarHBondContact O-N 3.28Å; W141-R163 HydrophobicContact CH2-CG 4.32Å; W141-R163 HydrophobicContact CZ3-CG 3.9Å; W141-L164 HydrophobicContact CH2-CB 3.96Å; W141-L164 HydrophobicContact CH2-CD1 3.66Å; W141-L164 HydrophobicContact CH2-CG 4.41Å; W141-L164 HydrophobicContact CZ2-CD1 4.19Å; W141-L164 HydrophobicContact CZ3-CD1 4.39Å; W141-W167 HydrophobicContact CE3-CB 3.79Å; W141-W167 AromaticContact CE3-CD1 3.8Å; W141-W167 HydrophobicContact CE3-CD2 4.44Å; W141-W167 AromaticContact CE3-CG 3.72Å; W141-W167 HydrophobicContact CE3-CG 3.72Å; W141-W167 HydrophobicContact CZ3-CB 3.51Å; W141-W167 AromaticContact CZ3-CG 3.91Å; W141-W167 HydrophobicContact CZ3-CG 3.91Å; W141-P257 HydrophobicContact CB-CB 3.83Å; W141-P257 HydrophobicContact CD2-CB 3.49Å; W141-P257 VanDerWaalsContact CD2-CB 3.49Å; W141-P257 HydrophobicContact CD2-CG 3.74Å; W141-P257 HydrophobicContact CE3-CB 4.22Å; W141-P257 HydrophobicContact CE3-CG 4.15Å; W141-P257 HydrophobicContact CG-CB 3.29Å; W141-P257 HydrophobicContact CG-CG 4.11Å; W141-P257 HydrophobicContact CH2-CG 4.37Å; W141-P257 HydrophobicContact CZ2-CB 4.46Å; W141-P257 HydrophobicContact CZ2-CG 3.95Å; W141-P257 HydrophobicContact CZ3-CG 4.46Å; W141-H258 AromaticContact CD1-CE1 3.57Å; W141-H258 AromaticContact CD1-NE2 3.6Å; W141-H258 AromaticContact NE1-NE2 3.82Å | ||
| 142 | E | 61.5 | Low | 65.5 | Low | 91 Ų | 91 | 62.9 Ų | 62.9 | 43% | 0.425 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -67.7 | -30.1 | -163.4 | -144.1 | 158.8 | -132.8 | 0 | 0 | 113.4 | D144 R145 | E142-D144 VanDerWaalsContact C-N 3.35Å; E142-R145 IonicContact OE1-CZ 2.82Å; E142-R145 IonicContact OE1-NH1 3.71Å; E142-R145 IonicContact OE1-NH2 3.83Å; E142-R145 PolarHBondContact OE1-NH2 2.73Å |
| 143 | D | 55.4 | Low | 63.3 | Low | 49 Ų | 49 | 68.7 Ų | 68.7 | 26% | 0.262 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -70.3 | -24.2 | 171.7 | -50.5 | -82.3 | 0 | 0 | 0 | 113.5 | W141 R145 D146 F147 W167 K171 | W141-D143 VanDerWaalsContact C-N 3.26Å; W141-D143 PolarHBondContact O-N 3.05Å; D143-R145 PolarHBondContact O-N 3.14Å; D143-D146 PolarHBondContact O-N 2.85Å; D143-F147 WeakPolarHBondContact O-CD2 3.37Å; D143-W167 PolarHBondContact OD2-NE1 3.23Å; D143-K171 IonicContact OD1-NZ 3.5Å; D143-K171 PolarHBondContact OD1-NZ 2.86Å; D143-K171 WeakPolarHBondContact OD2-CE 3.47Å; D143-K171 IonicContact OD2-NZ 2.75Å; D143-K171 PolarHBondContact OD2-NZ 3.2Å |
| 144 | D | 53.7 | Low | 61.1 | Low | 9 Ų | 9 | 76.2 Ų | 76.2 | 5% | 0.048 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -70.5 | -1.8 | 179.1 | -59 | -25.2 | 0 | 0 | 0 | 112.7 | I140 W141 E142 R152 R163 | I140-D144 HydrophobicContact CG2-CB 3.74Å; W141-D144 PolarHBondContact N-OD2 3.47Å; W141-D144 VanDerWaalsContact O-CB 3.3Å; W141-D144 WeakPolarHBondContact O-CB 3.42Å; W141-D144 PolarHBondContact O-N 3.28Å; E142-D144 VanDerWaalsContact C-N 3.35Å; D144-R152 PolarHBondContact O-NE 2.91Å; D144-R152 PolarHBondContact O-NH2 2.9Å; D144-R163 IonicContact OD2-CZ 3.53Å; D144-R163 IonicContact OD2-NH2 3.47Å; D144-R163 PolarHBondContact OD2-NH2 3.25Å |
| 145 | R | 53.5 | Low | 58.8 | Low | 153 Ų | 153 | 77.4 Ų | 77.4 | 58% | 0.577 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -88.2 | -28.7 | 178.5 | -61.8 | -163.2 | -66.6 | -161.2 | 0.5 | 113.8 | I140 E142 D143 | I140-R145 HydrophobicContact CG2-CG 4.22Å; E142-R145 IonicContact OE1-CZ 2.82Å; E142-R145 IonicContact OE1-NH1 3.71Å; E142-R145 IonicContact OE1-NH2 3.83Å; E142-R145 PolarHBondContact OE1-NH2 2.73Å; D143-R145 PolarHBondContact O-N 3.14Å |
| 146 | D | 50.5 | Low | 56.9 | Low | 152 Ų | 152 | 83.1 Ų | 83.1 | 81% | 0.813 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -12 | 179.2 | -69 | -19.6 | 0 | 0 | 0 | 112.7 | D143 T148 | D143-D146 PolarHBondContact O-N 2.85Å; D146-T148 PolarHBondContact O-N 2.83Å |
| 147 | F | 41.9 | Very low | 55.1 | Low | 92 Ų | 92 | 90.9 Ų | 90.9 | 40% | 0.404 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -79.6 | 117.9 | 171.7 | -71.5 | -64.2 | 0 | 0 | 0 | 112 | D143 T151 | D143-F147 WeakPolarHBondContact O-CD2 3.37Å; F147-T151 HydrophobicContact CD1-CG2 4.14Å; F147-T151 WeakPolarHBondContact CD1-OG1 3.45Å |
| 148 | T | 47.5 | Very low | 54.1 | Low | 113 Ų | 113 | 92.7 Ų | 92.7 | 69% | 0.693 | 46% | 0.457 | S | S | * | . | trans | -60.9 | 155.9 | 168.5 | 56.4 | 0 | 0 | 0 | 0 | 111.4 | D146 G150 T151 | D146-T148 PolarHBondContact O-N 2.83Å; T148-G150 PolarHBondContact O-N 3.3Å; T148-T151 PolarHBondContact O-N 2.82Å; T148-T151 PolarHBondContact O-OG1 3.37Å; T148-T151 VanDerWaalsContact O-OG1 3.1Å | ||
| 149 | D | 46.5 | Very low | 53.7 | Low | 119 Ų | 119 | 93.3 Ų | 93.3 | 64% | 0.636 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -54.2 | -23.3 | -166.5 | -78.5 | -31.2 | 0 | 0 | 0 | 116 | T151 R152 | D149-T151 PolarHBondContact O-N 3.29Å; D149-R152 IonicContact OD1-NH1 2.72Å |
| 150 | G | 46.2 | Very low | 54 | Low | 61 Ų | 61 | 94.1 Ų | 94.1 | 63% | 0.629 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.5 | -37 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | T148 | T148-G150 PolarHBondContact O-N 3.3Å |
| 151 | T | 43.2 | Very low | 54.7 | Low | 58 Ų | 58 | 93.5 Ų | 93.5 | 36% | 0.356 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -82.5 | -36.4 | 179.4 | 11 | 0 | 0 | 0 | 0 | 112.4 | F147 T148 D149 K153 R154 Q155 | F147-T151 HydrophobicContact CD1-CG2 4.14Å; F147-T151 WeakPolarHBondContact CD1-OG1 3.45Å; T148-T151 PolarHBondContact O-N 2.82Å; T148-T151 PolarHBondContact O-OG1 3.37Å; T148-T151 VanDerWaalsContact O-OG1 3.1Å; D149-T151 PolarHBondContact O-N 3.29Å; T151-K153 VanDerWaalsContact C-N 3.27Å; T151-K153 PolarHBondContact O-N 3.03Å; T151-R154 PolarHBondContact O-N 3.01Å; T151-Q155 PolarHBondContact O-N 3.38Å |
| 152 | R | 41.8 | Very low | 55.1 | Low | 73 Ų | 73 | 97.3 Ų | 97.3 | 28% | 0.275 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -52.4 | -44.2 | 176.3 | -74.4 | 179.7 | 167 | 174.3 | -4.5 | 112.3 | D144 D149 R154 Q155 F156 | D144-R152 PolarHBondContact O-NE 2.91Å; D144-R152 PolarHBondContact O-NH2 2.9Å; D149-R152 IonicContact OD1-NH1 2.72Å; R152-R154 PolarHBondContact O-N 2.85Å; R152-Q155 PolarHBondContact O-N 3.19Å; R152-F156 VanDerWaalsContact O-CD2 3.31Å; R152-F156 WeakPolarHBondContact O-CD2 3.46Å; R152-F156 PolarHBondContact O-N 3.19Å |
| 153 | K | 44.4 | Very low | 56.2 | Low | 169 Ų | 169 | 93.7 Ų | 93.7 | 74% | 0.735 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.7 | -19.7 | 177.9 | -78.3 | -168.1 | 174.2 | -175.3 | 0 | 114.9 | T151 | T151-K153 VanDerWaalsContact C-N 3.27Å; T151-K153 PolarHBondContact O-N 3.03Å |
| 154 | R | 45.7 | Very low | 57.8 | Low | 196 Ų | 196 | 91.4 Ų | 91.4 | 74% | 0.74 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -84.5 | -40.9 | 173.4 | -78.2 | -174.2 | 169.8 | 178.9 | -2.6 | 112.5 | T151 R152 F156 Q157 | T151-R154 PolarHBondContact O-N 3.01Å; R152-R154 PolarHBondContact O-N 2.85Å; R154-F156 VanDerWaalsContact C-N 3.31Å; R154-F156 PolarHBondContact O-N 2.72Å; R154-Q157 WeakPolarHBondContact O-CB 3.12Å; R154-Q157 PolarHBondContact O-N 3.29Å |
| 155 | Q | 42.5 | Very low | 59.4 | Low | 53 Ų | 53 | 92.1 Ų | 92.1 | 25% | 0.248 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -65.4 | -32.8 | 177 | -81.6 | 173 | -56.4 | 0 | 0 | 112.9 | T151 R152 Q157 E158 | T151-Q155 PolarHBondContact O-N 3.38Å; R152-Q155 PolarHBondContact O-N 3.19Å; Q155-Q157 PolarHBondContact O-N 3.19Å; Q155-Q157 VanDerWaalsContact O-N 3.08Å; Q155-E158 PolarHBondContact O-N 3.21Å |
| 156 | F | 49.8 | Very low | 60.8 | Low | 135 Ų | 135 | 87 Ų | 87 | 59% | 0.592 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -1.8 | 171.3 | -78.8 | -65.4 | 0 | 0 | 0 | 114.6 | R152 R154 | R152-F156 VanDerWaalsContact O-CD2 3.31Å; R152-F156 WeakPolarHBondContact O-CD2 3.46Å; R152-F156 PolarHBondContact O-N 3.19Å; R154-F156 VanDerWaalsContact C-N 3.31Å; R154-F156 PolarHBondContact O-N 2.72Å |
| 157 | Q | 51.4 | Low | 62.6 | Low | 162 Ų | 162 | 80.6 Ų | 80.6 | 76% | 0.757 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -6.6 | 169.6 | -62.9 | -173.1 | -41.7 | 0 | 0 | 113.3 | R154 Q155 | R154-Q157 WeakPolarHBondContact O-CB 3.12Å; R154-Q157 PolarHBondContact O-N 3.29Å; Q155-Q157 PolarHBondContact O-N 3.19Å; Q155-Q157 VanDerWaalsContact O-N 3.08Å |
| 158 | E | 64.3 | Low | 65 | Low | 70 Ų | 70 | 76.2 Ų | 76.2 | 33% | 0.327 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -78.8 | 135 | 174.9 | -62.6 | -165 | 134.8 | 0 | 0 | 110.4 | Q155 N166 | Q155-E158 PolarHBondContact O-N 3.21Å; E158-N166 PolarHBondContact OE1-ND2 3.18Å; E158-N166 PolarHBondContact OE2-ND2 2.76Å |
| 159 | P | 72 | Confident | 67 | Low | 84 Ų | 84 | 72.9 Ų | 72.9 | 55% | 0.545 | 36% | 0.36 | S | S | . | . | trans | -54.8 | 140.8 | 172.4 | -26.3 | 34.9 | 0 | 0 | 0 | 110.8 | K161 Q162 R163 | P159-K161 PolarHBondContact O-N 3.35Å; P159-K161 VanDerWaalsContact O-N 3.09Å; P159-Q162 HydrophobicContact CB-CB 4.42Å; P159-Q162 CarbonylContact O-C 3.57Å; P159-Q162 WeakPolarHBondContact O-CA 3.46Å; P159-Q162 WeakPolarHBondContact O-CB 3.39Å; P159-Q162 PolarHBondContact O-N 2.9Å; P159-R163 PolarHBondContact O-N 2.76Å | ||
| 160 | P | 80.3 | Confident | 68.8 | Low | 38 Ų | 38 | 71.8 Ų | 71.8 | 25% | 0.247 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.3 | -32.7 | -170.4 | -26.2 | 34.2 | 0 | 0 | 0 | 114.2 | L132 I136 S137 Q162 R163 L164 | L132-P160 HydrophobicContact CD1-CB 3.61Å; L132-P160 HydrophobicContact CD1-CG 3.98Å; L132-P160 HydrophobicContact CG-CB 4.45Å; L132-P160 HydrophobicContact CG-CG 4.39Å; I136-P160 HydrophobicContact CB-CB 4.35Å; I136-P160 HydrophobicContact CG2-CB 3.76Å; I136-P160 WeakPolarHBondContact CG2-O 3.27Å; S137-P160 WeakPolarHBondContact OG-CG 3.31Å; P160-Q162 VanDerWaalsContact C-N 3.34Å; P160-R163 PolarHBondContact O-N 3.42Å; P160-L164 PolarHBondContact O-N 3.46Å |
| 161 | K | 83.1 | Confident | 70.7 | Confident | 86 Ų | 86 | 71.1 Ų | 71.1 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 170.8 | -175.2 | 175.2 | -177.9 | -177.8 | 0 | 112.1 | P159 L165 F180 E246 M250 | P159-K161 PolarHBondContact O-N 3.35Å; P159-K161 VanDerWaalsContact O-N 3.09Å; K161-L165 WeakPolarHBondContact O-CB 3.39Å; K161-L165 PolarHBondContact O-N 2.8Å; K161-F180 HydrophobicContact CD-CE2 4.3Å; K161-F180 HydrophobicContact CG-CD2 4.43Å; K161-F180 HydrophobicContact CG-CE2 3.67Å; K161-F180 HydrophobicContact CG-CZ 4.38Å; K161-E246 WeakPolarHBondContact CE-OE1 3.46Å; K161-E246 IonicContact NZ-OE1 3.2Å; K161-E246 PolarHBondContact NZ-OE1 2.86Å; K161-E246 IonicContact NZ-OE2 3.96Å; K161-E246 PolarHBondContact NZ-OE2 3.27Å; K161-M250 HydrophobicContact CB-CE 3.81Å; K161-M250 HydrophobicContact CB-SD 4.17Å; K161-M250 HydrophobicContact CD-SD 4.22Å; K161-M250 HydrophobicContact CG-CE 4.08Å; K161-M250 HydrophobicContact CG-SD 3.83Å |
| 162 | Q | 82 | Confident | 72.8 | Confident | 81 Ų | 81 | 68.4 Ų | 68.4 | 38% | 0.379 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69.6 | -40.6 | 176.7 | -166.3 | 62 | 44.2 | 0 | 0 | 111.4 | P159 P160 L164 L165 N166 | P159-Q162 HydrophobicContact CB-CB 4.42Å; P159-Q162 CarbonylContact O-C 3.57Å; P159-Q162 WeakPolarHBondContact O-CA 3.46Å; P159-Q162 WeakPolarHBondContact O-CB 3.39Å; P159-Q162 PolarHBondContact O-N 2.9Å; P160-Q162 VanDerWaalsContact C-N 3.34Å; Q162-L164 PolarHBondContact O-N 3.19Å; Q162-L165 PolarHBondContact O-N 3.45Å; Q162-N166 PolarHBondContact NE2-OD1 3.04Å; Q162-N166 VanDerWaalsContact O-CB 3.25Å; Q162-N166 WeakPolarHBondContact O-CB 3.28Å; Q162-N166 PolarHBondContact O-N 2.83Å; Q162-N166 PolarHBondContact O-OD1 2.78Å |
| 163 | R | 84.3 | Confident | 74.6 | Confident | 15 Ų | 15 | 69.6 Ų | 69.6 | 6% | 0.057 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.5 | -46.9 | 175 | -173.7 | -176.5 | 174.8 | -158.4 | 4.6 | 111.7 | I136 S137 P139 W141 D144 P159 P160 N166 W167 | I136-R163 PolarHBondContact O-NH1 2.72Å; S137-R163 PolarHBondContact O-NH1 2.74Å; P139-R163 PolarHBondContact O-NH1 3.44Å; P139-R163 PolarHBondContact O-NH2 3.19Å; W141-R163 HydrophobicContact CH2-CG 4.32Å; W141-R163 HydrophobicContact CZ3-CG 3.9Å; D144-R163 IonicContact OD2-CZ 3.53Å; D144-R163 IonicContact OD2-NH2 3.47Å; D144-R163 PolarHBondContact OD2-NH2 3.25Å; P159-R163 PolarHBondContact O-N 2.76Å; P160-R163 PolarHBondContact O-N 3.42Å; R163-N166 PolarHBondContact O-N 3.07Å; R163-W167 PolarHBondContact O-N 2.98Å |
| 164 | L | 89.8 | Confident | 76.1 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65 | -43.4 | 176.6 | -175.9 | 59.6 | 0 | 0 | 0 | 111.9 | I136 W141 P160 Q162 N166 W167 L168 F180 M250 | I136-L164 HydrophobicContact CD1-CD2 4.27Å; I136-L164 HydrophobicContact CG2-CB 4.13Å; W141-L164 HydrophobicContact CH2-CB 3.96Å; W141-L164 HydrophobicContact CH2-CD1 3.66Å; W141-L164 HydrophobicContact CH2-CG 4.41Å; W141-L164 HydrophobicContact CZ2-CD1 4.19Å; W141-L164 HydrophobicContact CZ3-CD1 4.39Å; P160-L164 PolarHBondContact O-N 3.46Å; Q162-L164 PolarHBondContact O-N 3.19Å; L164-N166 PolarHBondContact O-N 2.84Å; L164-W167 PolarHBondContact O-N 3.06Å; L164-L168 HydrophobicContact CD1-CD1 4.3Å; L164-L168 HydrophobicContact CD1-CG 4.33Å; L164-L168 HydrophobicContact CG-CD1 4.01Å; L164-L168 HydrophobicContact CG-CG 4.49Å; L164-L168 WeakPolarHBondContact O-CB 3.29Å; L164-L168 VanDerWaalsContact O-CG 3.28Å; L164-L168 WeakPolarHBondContact O-CG 3.14Å; L164-L168 PolarHBondContact O-N 2.95Å; L164-F180 HydrophobicContact CB-CZ 4.34Å; L164-F180 HydrophobicContact CD2-CE1 3.71Å; L164-F180 HydrophobicContact CD2-CZ 4.18Å; L164-F180 HydrophobicContact CG-CE1 3.93Å; L164-F180 HydrophobicContact CG-CZ 4.19Å; L164-M250 HydrophobicContact CD2-CB 4.05Å; L164-M250 HydrophobicContact CD2-CE 4.33Å; L164-M250 HydrophobicContact CD2-CG 4.05Å |
| 165 | L | 86.2 | Confident | 77.9 | Confident | 24 Ų | 24 | 58.8 Ų | 58.8 | 13% | 0.126 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 176.9 | -163.4 | 112 | 0 | 0 | 0 | 111.7 | K161 Q162 L168 N169 V177 F180 | K161-L165 WeakPolarHBondContact O-CB 3.39Å; K161-L165 PolarHBondContact O-N 2.8Å; Q162-L165 PolarHBondContact O-N 3.45Å; L165-L168 PolarHBondContact O-N 3.09Å; L165-N169 WeakPolarHBondContact O-CB 3.33Å; L165-N169 PolarHBondContact O-N 3Å; L165-N169 PolarHBondContact O-ND2 3.2Å; L165-V177 HydrophobicContact CD1-CG1 4.28Å; L165-F180 HydrophobicContact CB-CE2 4.35Å; L165-F180 HydrophobicContact CB-CZ 4.06Å; L165-F180 HydrophobicContact CD1-CD2 4.37Å; L165-F180 HydrophobicContact CD1-CE2 3.64Å; L165-F180 HydrophobicContact CD1-CZ 3.95Å |
| 166 | N | 83.5 | Confident | 79.6 | Confident | 46 Ų | 46 | 60.3 Ų | 60.3 | 25% | 0.246 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 175.2 | -74.3 | -7.9 | 0 | 0 | 0 | 111.2 | E158 Q162 R163 L164 N169 T170 | E158-N166 PolarHBondContact OE1-ND2 3.18Å; E158-N166 PolarHBondContact OE2-ND2 2.76Å; Q162-N166 PolarHBondContact NE2-OD1 3.04Å; Q162-N166 VanDerWaalsContact O-CB 3.25Å; Q162-N166 WeakPolarHBondContact O-CB 3.28Å; Q162-N166 PolarHBondContact O-N 2.83Å; Q162-N166 PolarHBondContact O-OD1 2.78Å; R163-N166 PolarHBondContact O-N 3.07Å; L164-N166 PolarHBondContact O-N 2.84Å; N166-N169 PolarHBondContact O-N 2.9Å; N166-T170 WeakPolarHBondContact O-CB 3.3Å; N166-T170 PolarHBondContact O-N 3.38Å; N166-T170 PolarHBondContact O-OG1 2.87Å |
| 167 | W | 89.1 | Confident | 81.4 | Confident | 17 Ų | 17 | 54 Ų | 54 | 6% | 0.064 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66 | -43.5 | 177.1 | -177.1 | 87.7 | 0 | 0 | 0 | 112.4 | W141 D143 R163 L164 N169 T170 K171 L193 I197 P257 | W141-W167 HydrophobicContact CE3-CB 3.79Å; W141-W167 AromaticContact CE3-CD1 3.8Å; W141-W167 HydrophobicContact CE3-CD2 4.44Å; W141-W167 AromaticContact CE3-CG 3.72Å; W141-W167 HydrophobicContact CE3-CG 3.72Å; W141-W167 HydrophobicContact CZ3-CB 3.51Å; W141-W167 AromaticContact CZ3-CG 3.91Å; W141-W167 HydrophobicContact CZ3-CG 3.91Å; D143-W167 PolarHBondContact OD2-NE1 3.23Å; R163-W167 PolarHBondContact O-N 2.98Å; L164-W167 PolarHBondContact O-N 3.06Å; W167-N169 PolarHBondContact O-N 3.4Å; W167-T170 WeakPolarHBondContact O-CA 3.49Å; W167-T170 VanDerWaalsContact O-CB 3.31Å; W167-T170 WeakPolarHBondContact O-CB 3.41Å; W167-T170 PolarHBondContact O-N 3.11Å; W167-K171 HydrophobicContact CD2-CG 4.06Å; W167-K171 HydrophobicContact CE3-CG 4.24Å; W167-K171 HydrophobicContact CH2-CG 3.78Å; W167-K171 HydrophobicContact CZ2-CD 4.09Å; W167-K171 VanDerWaalsContact CZ2-CE 3.41Å; W167-K171 HydrophobicContact CZ2-CG 3.56Å; W167-K171 HydrophobicContact CZ3-CG 4.11Å; W167-K171 PolarHBondContact O-N 2.83Å; W167-L193 HydrophobicContact CH2-CD1 4.41Å; W167-L193 HydrophobicContact CZ3-CD1 4.15Å; W167-I197 HydrophobicContact CH2-CD1 4.02Å; W167-P257 HydrophobicContact CD2-CB 4.35Å; W167-P257 HydrophobicContact CD2-CG 3.81Å; W167-P257 HydrophobicContact CE3-CG 3.72Å; W167-P257 HydrophobicContact CH2-CB 4.25Å; W167-P257 HydrophobicContact CH2-CG 3.82Å; W167-P257 VanDerWaalsContact CZ2-CA 3.47Å; W167-P257 HydrophobicContact CZ2-CB 3.91Å; W167-P257 HydrophobicContact CZ2-CG 3.9Å; W167-P257 HydrophobicContact CZ3-CG 3.73Å |
| 168 | L | 91.5 | Very high | 83 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 175.5 | -72 | 168.4 | 0 | 0 | 0 | 111.3 | L164 L165 T170 K171 L172 F180 W184 L193 L253 | L164-L168 HydrophobicContact CD1-CD1 4.3Å; L164-L168 HydrophobicContact CD1-CG 4.33Å; L164-L168 HydrophobicContact CG-CD1 4.01Å; L164-L168 HydrophobicContact CG-CG 4.49Å; L164-L168 WeakPolarHBondContact O-CB 3.29Å; L164-L168 VanDerWaalsContact O-CG 3.28Å; L164-L168 WeakPolarHBondContact O-CG 3.14Å; L164-L168 PolarHBondContact O-N 2.95Å; L165-L168 PolarHBondContact O-N 3.09Å; L168-T170 VanDerWaalsContact C-N 3.26Å; L168-T170 PolarHBondContact O-N 3.04Å; L168-K171 CarbonylContact O-C 3.59Å; L168-K171 PolarHBondContact O-N 2.95Å; L168-L172 VanDerWaalsContact O-CB 3.26Å; L168-L172 WeakPolarHBondContact O-CB 3.37Å; L168-L172 PolarHBondContact O-N 3.07Å; L168-F180 HydrophobicContact CD1-CD1 4.42Å; L168-F180 HydrophobicContact CD1-CE1 3.65Å; L168-F180 HydrophobicContact CD1-CZ 4.38Å; L168-W184 HydrophobicContact CD1-CZ2 4.16Å; L168-W184 HydrophobicContact CD2-CH2 4.09Å; L168-W184 HydrophobicContact CD2-CZ2 4.44Å; L168-L193 HydrophobicContact CD2-CD1 4.18Å; L168-L193 HydrophobicContact CD2-CD2 3.87Å; L168-L253 HydrophobicContact CD1-CD1 4.39Å |
| 169 | N | 88.9 | Confident | 84.1 | Confident | 43 Ų | 43 | 49.7 Ų | 49.7 | 23% | 0.23 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.6 | -27.5 | 173.3 | -79.3 | -78.7 | 0 | 0 | 0 | 113.3 | L165 N166 W167 L172 P176 V177 | L165-N169 WeakPolarHBondContact O-CB 3.33Å; L165-N169 PolarHBondContact O-N 3Å; L165-N169 PolarHBondContact O-ND2 3.2Å; N166-N169 PolarHBondContact O-N 2.9Å; W167-N169 PolarHBondContact O-N 3.4Å; N169-L172 CarbonylContact O-C 3.55Å; N169-P176 VanDerWaalsContact OD1-CA 3.29Å; N169-P176 WeakPolarHBondContact OD1-CA 3.15Å; N169-V177 PolarHBondContact ND2-O 2.8Å; N169-V177 PolarHBondContact OD1-N 3.18Å |
| 170 | T | 84.6 | Confident | 85 | Confident | 96 Ų | 96 | 45.7 Ų | 45.7 | 59% | 0.589 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -72.2 | -34.4 | 174.6 | -56 | 0 | 0 | 0 | 0 | 111.8 | N166 W167 L168 | N166-T170 WeakPolarHBondContact O-CB 3.3Å; N166-T170 PolarHBondContact O-N 3.38Å; N166-T170 PolarHBondContact O-OG1 2.87Å; W167-T170 WeakPolarHBondContact O-CA 3.49Å; W167-T170 VanDerWaalsContact O-CB 3.31Å; W167-T170 WeakPolarHBondContact O-CB 3.41Å; W167-T170 PolarHBondContact O-N 3.11Å; L168-T170 VanDerWaalsContact C-N 3.26Å; L168-T170 PolarHBondContact O-N 3.04Å |
| 171 | K | 85.9 | Confident | 85.5 | Confident | 48 Ų | 48 | 45.8 Ų | 45.8 | 21% | 0.209 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -86.4 | -16.4 | 173.4 | -59.8 | -58.1 | -179.3 | -174.7 | 0 | 114 | D143 W167 L168 L193 S196 | D143-K171 IonicContact OD1-NZ 3.5Å; D143-K171 PolarHBondContact OD1-NZ 2.86Å; D143-K171 WeakPolarHBondContact OD2-CE 3.47Å; D143-K171 IonicContact OD2-NZ 2.75Å; D143-K171 PolarHBondContact OD2-NZ 3.2Å; W167-K171 HydrophobicContact CD2-CG 4.06Å; W167-K171 HydrophobicContact CE3-CG 4.24Å; W167-K171 HydrophobicContact CH2-CG 3.78Å; W167-K171 HydrophobicContact CZ2-CD 4.09Å; W167-K171 VanDerWaalsContact CZ2-CE 3.41Å; W167-K171 HydrophobicContact CZ2-CG 3.56Å; W167-K171 HydrophobicContact CZ3-CG 4.11Å; W167-K171 PolarHBondContact O-N 2.83Å; L168-K171 CarbonylContact O-C 3.59Å; L168-K171 PolarHBondContact O-N 2.95Å; K171-L193 HydrophobicContact CB-CD1 3.94Å; K171-S196 WeakPolarHBondContact O-CB 3.21Å; K171-S196 PolarHBondContact O-OG 2.94Å |
| 172 | L | 89 | Confident | 85.6 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -124.1 | 52.4 | -180 | -62 | 173.6 | 0 | 0 | 0 | 112.3 | L168 N169 Q174 I175 V177 W184 T189 A192 L193 | L168-L172 VanDerWaalsContact O-CB 3.26Å; L168-L172 WeakPolarHBondContact O-CB 3.37Å; L168-L172 PolarHBondContact O-N 3.07Å; N169-L172 CarbonylContact O-C 3.55Å; L172-Q174 PolarHBondContact O-N 2.76Å; L172-I175 HydrophobicContact CB-CB 4.46Å; L172-I175 CarbonylContact O-C 3.59Å; L172-I175 PolarHBondContact O-N 3.22Å; L172-I175 VanDerWaalsContact O-O 3.06Å; L172-V177 HydrophobicContact CD1-CG2 3.87Å; L172-W184 HydrophobicContact CD1-CH2 3.91Å; L172-T189 HydrophobicContact CD1-CG2 3.87Å; L172-A192 HydrophobicContact CD2-CB 3.65Å; L172-L193 HydrophobicContact CD1-CB 4.43Å; L172-L193 HydrophobicContact CD2-CB 4.23Å; L172-L193 HydrophobicContact CG-CD1 4.36Å | ||
| 173 | P | 77.6 | Confident | 85.9 | Confident | 99 Ų | 99 | 44.3 Ų | 44.3 | 64% | 0.643 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -16.7 | -175.3 | 26.9 | -35 | 0 | 0 | 0 | 113.8 | ||
| 174 | Q | 77.7 | Confident | 86.3 | Confident | 103 Ų | 103 | 43.6 Ų | 43.6 | 48% | 0.481 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -7.7 | 172.5 | 68.4 | -76.7 | -11 | 0 | 0 | 115.3 | L172 W205 | L172-Q174 PolarHBondContact O-N 2.76Å; Q174-W205 HydrophobicContact CG-CH2 4Å |
| 175 | I | 81.7 | Confident | 86.2 | Confident | 34 Ų | 34 | 46 Ų | 46 | 17% | 0.174 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -131.4 | 90.5 | 175 | -55.5 | 174.1 | 0 | 0 | 0 | 108.2 | L172 V177 T189 A192 W205 | L172-I175 HydrophobicContact CB-CB 4.46Å; L172-I175 CarbonylContact O-C 3.59Å; L172-I175 PolarHBondContact O-N 3.22Å; L172-I175 VanDerWaalsContact O-O 3.06Å; I175-V177 PolarHBondContact O-N 2.95Å; I175-V177 VanDerWaalsContact O-N 3.09Å; I175-T189 HydrophobicContact CG2-CG2 4.08Å; I175-A192 HydrophobicContact CD1-CB 3.68Å; I175-W205 HydrophobicContact CD1-CH2 4.29Å; I175-W205 HydrophobicContact CD1-CZ3 3.89Å |
| 176 | P | 79.8 | Confident | 86.3 | Confident | 86 Ų | 86 | 46.1 Ų | 46.1 | 56% | 0.558 | 27% | 0.267 | S | S | * | . | trans | -66.7 | 111.2 | -177.1 | 25.3 | -33.2 | 0 | 0 | 0 | 111.3 | N169 Q183 | N169-P176 VanDerWaalsContact OD1-CA 3.29Å; N169-P176 WeakPolarHBondContact OD1-CA 3.15Å; P176-Q183 PolarHBondContact O-NE2 2.88Å | ||
| 177 | V | 87 | Confident | 86.7 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | trans | -85.4 | 119.8 | -179.1 | -178.5 | 0 | 0 | 0 | 0 | 109.4 | L165 N169 L172 I175 N179 W184 T189 | L165-V177 HydrophobicContact CD1-CG1 4.28Å; N169-V177 PolarHBondContact ND2-O 2.8Å; N169-V177 PolarHBondContact OD1-N 3.18Å; L172-V177 HydrophobicContact CD1-CG2 3.87Å; I175-V177 PolarHBondContact O-N 2.95Å; I175-V177 VanDerWaalsContact O-N 3.09Å; V177-N179 VanDerWaalsContact CG1-O 3.31Å; V177-N179 WeakPolarHBondContact CG1-O 3.46Å; V177-W184 HydrophobicContact CG1-CZ2 3.95Å; V177-W184 HydrophobicContact CG2-CZ2 3.95Å; V177-T189 HydrophobicContact CG2-CG2 4.25Å | ||
| 178 | T | 84.1 | Confident | 86.8 | Confident | 109 Ų | 109 | 47.4 Ų | 47.4 | 67% | 0.669 | 27% | 0.269 | S | S | * | . | trans | -117.5 | -12.4 | 177.6 | 61.2 | 0 | 0 | 0 | 0 | 113 | Q183 | T178-Q183 PolarHBondContact OG1-OE1 3.21Š| ||
| 179 | N | 88.4 | Confident | 86.9 | Confident | 33 Ų | 33 | 47.9 Ų | 47.9 | 18% | 0.176 | 27% | 0.272 | C | S | . | . | trans | -143 | 166 | 173.2 | 71 | 76.5 | 0 | 0 | 0 | 113.2 | V177 T181 S182 Q183 W184 | V177-N179 VanDerWaalsContact CG1-O 3.31Å; V177-N179 WeakPolarHBondContact CG1-O 3.46Å; N179-T181 PolarHBondContact OD1-N 2.81Å; N179-S182 PolarHBondContact ND2-OG 2.89Å; N179-S182 PolarHBondContact OD1-N 2.81Å; N179-S182 PolarHBondContact OD1-OG 2.85Å; N179-Q183 VanDerWaalsContact N-OE1 3.13Å; N179-Q183 PolarHBondContact ND2-OE1 2.82Å; N179-Q183 PolarHBondContact OD1-N 2.75Å; N179-W184 PolarHBondContact O-NE1 2.67Å; N179-W184 VanDerWaalsContact O-NE1 3.13Å | ||
| 180 | F | 91.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -101.4 | 14.3 | -179.4 | -68.9 | -86 | 0 | 0 | 0 | 113.8 | K161 L164 L165 L168 E246 M249 M250 L253 | K161-F180 HydrophobicContact CD-CE2 4.3Å; K161-F180 HydrophobicContact CG-CD2 4.43Å; K161-F180 HydrophobicContact CG-CE2 3.67Å; K161-F180 HydrophobicContact CG-CZ 4.38Å; L164-F180 HydrophobicContact CB-CZ 4.34Å; L164-F180 HydrophobicContact CD2-CE1 3.71Å; L164-F180 HydrophobicContact CD2-CZ 4.18Å; L164-F180 HydrophobicContact CG-CE1 3.93Å; L164-F180 HydrophobicContact CG-CZ 4.19Å; L165-F180 HydrophobicContact CB-CE2 4.35Å; L165-F180 HydrophobicContact CB-CZ 4.06Å; L165-F180 HydrophobicContact CD1-CD2 4.37Å; L165-F180 HydrophobicContact CD1-CE2 3.64Å; L165-F180 HydrophobicContact CD1-CZ 3.95Å; L168-F180 HydrophobicContact CD1-CD1 4.42Å; L168-F180 HydrophobicContact CD1-CE1 3.65Å; L168-F180 HydrophobicContact CD1-CZ 4.38Å; F180-E246 HydrophobicContact CB-CB 4.21Å; F180-E246 HydrophobicContact CB-CG 4.16Å; F180-M249 HydrophobicContact CB-CB 4.2Å; F180-M249 WeakPolarHBondContact O-CB 3.43Å; F180-M249 WeakPolarHBondContact O-CG 3.42Å; F180-M250 HydrophobicContact CB-CG 4.47Å; F180-M250 HydrophobicContact CD1-CG 3.6Å; F180-M250 HydrophobicContact CD2-CG 4.04Å; F180-M250 HydrophobicContact CD2-SD 4.33Å; F180-M250 HydrophobicContact CE1-CG 3.71Å; F180-M250 HydrophobicContact CE2-CG 4.14Å; F180-M250 HydrophobicContact CE2-SD 4.24Å; F180-M250 HydrophobicContact CG-CG 3.77Å; F180-M250 HydrophobicContact CZ-CG 3.98Å; F180-M250 HydrophobicContact CZ-SD 4.43Å; F180-L253 HydrophobicContact CD1-CD1 4.04Å |
| 181 | T | 89.3 | Confident | 87.7 | Confident | 41 Ų | 41 | 41.2 Ų | 41.2 | 25% | 0.252 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -131.4 | -86.4 | -176.4 | 59.6 | 0 | 0 | 0 | 0 | 112.1 | N179 Q183 W184 V244 E246 | N179-T181 PolarHBondContact OD1-N 2.81Å; T181-Q183 PolarHBondContact O-N 2.8Å; T181-Q183 VanDerWaalsContact O-N 3.08Å; T181-W184 PolarHBondContact O-N 2.69Å; T181-V244 HydrophobicContact CG2-CG1 4.17Å; T181-V244 VanDerWaalsContact CG2-O 3.28Å; T181-V244 WeakPolarHBondContact CG2-O 3.42Å; T181-E246 HydrophobicContact CG2-CG 4.09Å |
| 182 | S | 85.4 | Confident | 88 | Confident | 84 Ų | 84 | 39 Ų | 39 | 59% | 0.587 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | -23.8 | -169.4 | 64.5 | 0 | 0 | 0 | 0 | 115.1 | N179 W184 S185 | N179-S182 PolarHBondContact ND2-OG 2.89Å; N179-S182 PolarHBondContact OD1-N 2.81Å; N179-S182 PolarHBondContact OD1-OG 2.85Å; S182-W184 PolarHBondContact O-N 2.9Å; S182-S185 PolarHBondContact O-OG 2.93Å; S182-S185 VanDerWaalsContact O-OG 3.08Å |
| 183 | Q | 88 | Confident | 88.3 | Confident | 52 Ų | 52 | 39 Ų | 39 | 24% | 0.243 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -9.4 | 174.6 | -84.6 | -176.3 | -59.8 | 0 | 0 | 114.7 | P176 T178 N179 T181 T189 | P176-Q183 PolarHBondContact O-NE2 2.88Å; T178-Q183 PolarHBondContact OG1-OE1 3.21Å; N179-Q183 VanDerWaalsContact N-OE1 3.13Å; N179-Q183 PolarHBondContact ND2-OE1 2.82Å; N179-Q183 PolarHBondContact OD1-N 2.75Å; T181-Q183 PolarHBondContact O-N 2.8Å; T181-Q183 VanDerWaalsContact O-N 3.08Å; Q183-T189 WeakPolarHBondContact O-CB 3.44Å; Q183-T189 PolarHBondContact O-OG1 3.35Å |
| 184 | W | 93.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -20.1 | -176.8 | -61.7 | 88 | 0 | 0 | 0 | 112.8 | L168 L172 V177 N179 T181 S182 D186 G187 T189 L190 L193 F239 M249 L253 | L168-W184 HydrophobicContact CD1-CZ2 4.16Å; L168-W184 HydrophobicContact CD2-CH2 4.09Å; L168-W184 HydrophobicContact CD2-CZ2 4.44Å; L172-W184 HydrophobicContact CD1-CH2 3.91Å; V177-W184 HydrophobicContact CG1-CZ2 3.95Å; V177-W184 HydrophobicContact CG2-CZ2 3.95Å; N179-W184 PolarHBondContact O-NE1 2.67Å; N179-W184 VanDerWaalsContact O-NE1 3.13Å; T181-W184 PolarHBondContact O-N 2.69Å; S182-W184 PolarHBondContact O-N 2.9Å; W184-D186 PolarHBondContact O-N 3.36Å; W184-G187 PolarHBondContact O-N 3.27Å; W184-G187 VanDerWaalsContact O-N 3.08Å; W184-T189 HydrophobicContact CD2-CG2 3.98Å; W184-T189 HydrophobicContact CE3-CG2 3.75Å; W184-T189 HydrophobicContact CH2-CG2 3.7Å; W184-T189 HydrophobicContact CZ2-CG2 3.93Å; W184-T189 HydrophobicContact CZ3-CG2 3.62Å; W184-L190 HydrophobicContact CE3-CB 4.4Å; W184-L190 HydrophobicContact CE3-CD1 4.48Å; W184-L190 HydrophobicContact CZ3-CD1 4.29Å; W184-L193 HydrophobicContact CH2-CD2 4.19Å; W184-L193 HydrophobicContact CZ3-CD2 4.22Å; W184-F239 HydrophobicContact CB-CE1 3.77Å; W184-F239 HydrophobicContact CB-CZ 4.01Å; W184-F239 HydrophobicContact CE3-CZ 4.09Å; W184-F239 WeakPolarHBondContact O-CE1 3.24Å; W184-M249 HydrophobicContact CB-SD 4.46Å; W184-L253 HydrophobicContact CD2-CD1 4.09Å; W184-L253 HydrophobicContact CE3-CD1 4.41Å; W184-L253 HydrophobicContact CE3-CD2 4.08Å; W184-L253 HydrophobicContact CH2-CD1 4.17Å; W184-L253 HydrophobicContact CH2-CD2 3.84Å; W184-L253 HydrophobicContact CZ2-CD1 3.81Å; W184-L253 HydrophobicContact CZ2-CD2 4.34Å; W184-L253 HydrophobicContact CZ3-CD1 4.45Å; W184-L253 HydrophobicContact CZ3-CD2 3.68Å |
| 185 | S | 88.2 | Confident | 89.8 | Confident | 50 Ų | 50 | 30.1 Ų | 30.1 | 35% | 0.35 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -13.5 | -168.5 | 61.5 | 0 | 0 | 0 | 0 | 116.8 | S182 A213 I240 | S182-S185 PolarHBondContact O-OG 2.93Å; S182-S185 VanDerWaalsContact O-OG 3.08Å; S185-A213 WeakPolarHBondContact O-CB 3.42Å; S185-I240 WeakPolarHBondContact O-CG2 3.36Å |
| 186 | D | 88.5 | Confident | 90.2 | Very high | 26 Ų | 26 | 30.4 Ų | 30.4 | 14% | 0.139 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -0.1 | 179.4 | 79.6 | 8.9 | 0 | 0 | 0 | 114.9 | W184 R188 P210 N216 | W184-D186 PolarHBondContact O-N 3.36Å; D186-R188 PolarHBondContact O-N 3.1Å; D186-R188 VanDerWaalsContact O-N 3.16Å; D186-R188 VanDerWaalsContact OD1-CB 3.26Å; D186-R188 WeakPolarHBondContact OD1-CB 3.27Å; D186-R188 WeakPolarHBondContact OD1-CG 3.15Å; D186-R188 PolarHBondContact OD1-N 3.32Å; D186-R188 IonicContact OD1-NE 2.83Å; D186-R188 IonicContact OD2-CZ 3.78Å; D186-R188 IonicContact OD2-NE 3.14Å; D186-R188 PolarHBondContact OD2-NE 3.38Å; D186-R188 IonicContact OD2-NH2 2.61Å; D186-R188 PolarHBondContact OD2-NH2 2.52Å; D186-P210 HydrophobicContact CB-CB 3.72Å; D186-N216 WeakPolarHBondContact O-CB 3.32Å; D186-N216 PolarHBondContact O-ND2 2.96Å |
| 187 | G | 91.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 72.9 | -9.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | W184 L190 G191 T217 | W184-G187 PolarHBondContact O-N 3.27Å; W184-G187 VanDerWaalsContact O-N 3.08Å; G187-L190 PolarHBondContact O-N 2.88Å; G187-G191 PolarHBondContact O-N 2.91Å; G187-T217 WeakPolarHBondContact CA-OG1 3.37Å |
| 188 | R | 90.8 | Very high | 90.7 | Very high | 91 Ų | 91 | 28.5 Ų | 28.5 | 34% | 0.343 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -74.3 | -40.5 | -176.3 | -59.7 | -175 | -67.4 | 165.8 | -1.4 | 112 | D186 L190 G191 A192 W208 | D186-R188 PolarHBondContact O-N 3.1Å; D186-R188 VanDerWaalsContact O-N 3.16Å; D186-R188 VanDerWaalsContact OD1-CB 3.26Å; D186-R188 WeakPolarHBondContact OD1-CB 3.27Å; D186-R188 WeakPolarHBondContact OD1-CG 3.15Å; D186-R188 PolarHBondContact OD1-N 3.32Å; D186-R188 IonicContact OD1-NE 2.83Å; D186-R188 IonicContact OD2-CZ 3.78Å; D186-R188 IonicContact OD2-NE 3.14Å; D186-R188 PolarHBondContact OD2-NE 3.38Å; D186-R188 IonicContact OD2-NH2 2.61Å; D186-R188 PolarHBondContact OD2-NH2 2.52Å; R188-L190 PolarHBondContact O-N 2.84Å; R188-G191 PolarHBondContact O-N 3.03Å; R188-A192 WeakPolarHBondContact O-CB 3.4Å; R188-A192 PolarHBondContact O-N 3.26Å; R188-W208 VanDerWaalsContact CD-O 3.22Å; R188-W208 WeakPolarHBondContact CD-O 3.29Å; R188-W208 HydrophobicContact CG-CB 3.98Å |
| 189 | T | 93.9 | Very high | 90.7 | Very high | 9 Ų | 9 | 27.2 Ų | 27.2 | 6% | 0.055 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.2 | -34.6 | 173.5 | -48.2 | 0 | 0 | 0 | 0 | 111.4 | L172 I175 V177 Q183 W184 L193 | L172-T189 HydrophobicContact CD1-CG2 3.87Å; I175-T189 HydrophobicContact CG2-CG2 4.08Å; V177-T189 HydrophobicContact CG2-CG2 4.25Å; Q183-T189 WeakPolarHBondContact O-CB 3.44Å; Q183-T189 PolarHBondContact O-OG1 3.35Å; W184-T189 HydrophobicContact CD2-CG2 3.98Å; W184-T189 HydrophobicContact CE3-CG2 3.75Å; W184-T189 HydrophobicContact CH2-CG2 3.7Å; W184-T189 HydrophobicContact CZ2-CG2 3.93Å; W184-T189 HydrophobicContact CZ3-CG2 3.62Å; T189-L193 PolarHBondContact O-N 2.9Å |
| 190 | L | 96.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -73.6 | -46 | 175 | -168.3 | 66.9 | 0 | 0 | 0 | 112.3 | W184 G187 R188 A192 L193 V194 T217 A220 M221 F239 Y252 L253 Y256 | W184-L190 HydrophobicContact CE3-CB 4.4Å; W184-L190 HydrophobicContact CE3-CD1 4.48Å; W184-L190 HydrophobicContact CZ3-CD1 4.29Å; G187-L190 PolarHBondContact O-N 2.88Å; R188-L190 PolarHBondContact O-N 2.84Å; L190-A192 VanDerWaalsContact C-N 3.25Å; L190-A192 PolarHBondContact O-N 2.87Å; L190-L193 WeakPolarHBondContact O-CB 3.2Å; L190-L193 PolarHBondContact O-N 2.86Å; L190-V194 WeakPolarHBondContact O-CG2 3.11Å; L190-V194 PolarHBondContact O-N 3.5Å; L190-T217 HydrophobicContact CD2-CG2 4.27Å; L190-A220 HydrophobicContact CB-CB 4.3Å; L190-A220 HydrophobicContact CD2-CB 3.94Å; L190-A220 HydrophobicContact CG-CB 3.93Å; L190-M221 HydrophobicContact CD2-CG 3.51Å; L190-M221 HydrophobicContact CD2-SD 4.36Å; L190-F239 HydrophobicContact CB-CE1 4.45Å; L190-F239 HydrophobicContact CB-CZ 3.99Å; L190-F239 HydrophobicContact CD1-CE2 3.99Å; L190-F239 HydrophobicContact CD1-CZ 3.86Å; L190-F239 HydrophobicContact CD2-CD2 4.45Å; L190-F239 HydrophobicContact CD2-CE1 4.2Å; L190-F239 HydrophobicContact CD2-CE2 3.72Å; L190-F239 HydrophobicContact CD2-CZ 3.63Å; L190-F239 HydrophobicContact CG-CE2 4.37Å; L190-F239 HydrophobicContact CG-CZ 4.03Å; L190-Y252 HydrophobicContact CD1-CE1 4.3Å; L190-L253 HydrophobicContact CD1-CD2 4.3Å; L190-Y256 HydrophobicContact CD1-CE2 4.15Å |
| 191 | G | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58 | -38.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G187 R188 L193 V194 D195 | G187-G191 PolarHBondContact O-N 2.91Å; R188-G191 PolarHBondContact O-N 3.03Å; G191-L193 VanDerWaalsContact C-N 3.34Å; G191-L193 PolarHBondContact O-N 2.82Å; G191-V194 PolarHBondContact O-N 3.33Å; G191-D195 WeakPolarHBondContact O-CB 3.31Å; G191-D195 PolarHBondContact O-N 3.1Å |
| 192 | A | 92.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.8 | -33 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L172 I175 R188 L190 S196 W205 | L172-A192 HydrophobicContact CD2-CB 3.65Å; I175-A192 HydrophobicContact CD1-CB 3.68Å; R188-A192 WeakPolarHBondContact O-CB 3.4Å; R188-A192 PolarHBondContact O-N 3.26Å; L190-A192 VanDerWaalsContact C-N 3.25Å; L190-A192 PolarHBondContact O-N 2.87Å; A192-S196 VanDerWaalsContact O-CB 3.28Å; A192-S196 WeakPolarHBondContact O-CB 3.21Å; A192-S196 PolarHBondContact O-N 3.47Å; A192-S196 PolarHBondContact O-OG 2.86Å; A192-W205 HydrophobicContact CB-CD2 3.64Å; A192-W205 HydrophobicContact CB-CE3 3.69Å; A192-W205 HydrophobicContact CB-CG 4.3Å; A192-W205 HydrophobicContact CB-CH2 3.87Å; A192-W205 HydrophobicContact CB-CZ2 3.8Å; A192-W205 HydrophobicContact CB-CZ3 3.82Å |
| 193 | L | 94.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -75.3 | -40.6 | 177.6 | -176.8 | 62.9 | 0 | 0 | 0 | 111.4 | W167 L168 K171 L172 W184 T189 L190 G191 S196 I197 L253 Y256 | W167-L193 HydrophobicContact CH2-CD1 4.41Å; W167-L193 HydrophobicContact CZ3-CD1 4.15Å; L168-L193 HydrophobicContact CD2-CD1 4.18Å; L168-L193 HydrophobicContact CD2-CD2 3.87Å; K171-L193 HydrophobicContact CB-CD1 3.94Å; L172-L193 HydrophobicContact CD1-CB 4.43Å; L172-L193 HydrophobicContact CD2-CB 4.23Å; L172-L193 HydrophobicContact CG-CD1 4.36Å; W184-L193 HydrophobicContact CH2-CD2 4.19Å; W184-L193 HydrophobicContact CZ3-CD2 4.22Å; T189-L193 PolarHBondContact O-N 2.9Å; L190-L193 WeakPolarHBondContact O-CB 3.2Å; L190-L193 PolarHBondContact O-N 2.86Å; G191-L193 VanDerWaalsContact C-N 3.34Å; G191-L193 PolarHBondContact O-N 2.82Å; L193-S196 PolarHBondContact O-N 2.7Å; L193-S196 PolarHBondContact O-OG 2.79Å; L193-I197 HydrophobicContact CD1-CD1 3.9Å; L193-I197 HydrophobicContact CD1-CG1 4.5Å; L193-I197 HydrophobicContact CG-CD1 3.97Å; L193-I197 WeakPolarHBondContact O-CB 3.18Å; L193-I197 WeakPolarHBondContact O-CD1 2.94Å; L193-I197 VanDerWaalsContact O-CG1 3.28Å; L193-I197 WeakPolarHBondContact O-CG1 3.12Å; L193-I197 PolarHBondContact O-N 2.91Å; L193-I197 VanDerWaalsContact O-N 3.14Å; L193-L253 HydrophobicContact CD2-CD2 4.02Å; L193-Y256 HydrophobicContact CD2-CD1 4.06Å; L193-Y256 HydrophobicContact CD2-CD2 3.94Å; L193-Y256 HydrophobicContact CD2-CE1 4.44Å; L193-Y256 HydrophobicContact CD2-CE2 4.33Å; L193-Y256 HydrophobicContact CD2-CG 3.77Å; L193-Y256 HydrophobicContact CG-CD1 4.17Å; L193-Y256 HydrophobicContact CG-CG 4.3Å |
| 194 | V | 94.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.8 | -45 | 174.3 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | L190 G191 A198 L201 C202 A220 L223 A224 L228 Y256 | L190-V194 WeakPolarHBondContact O-CG2 3.11Å; L190-V194 PolarHBondContact O-N 3.5Å; G191-V194 PolarHBondContact O-N 3.33Å; V194-A198 PolarHBondContact O-N 2.86Å; V194-L201 HydrophobicContact CG1-CD2 3.83Å; V194-L201 HydrophobicContact CG1-CG 4.26Å; V194-C202 HydrophobicContact CB-CB 4.29Å; V194-C202 HydrophobicContact CG1-CB 3.88Å; V194-A220 HydrophobicContact CG2-CB 4.17Å; V194-L223 HydrophobicContact CG1-CB 4.06Å; V194-A224 HydrophobicContact CG2-CB 4.01Å; V194-L228 HydrophobicContact CB-CD1 4.37Å; V194-L228 HydrophobicContact CG1-CD1 3.95Å; V194-L228 HydrophobicContact CG2-CD1 4.48Å; V194-Y256 HydrophobicContact CG2-CE1 4.05Å |
| 195 | D | 92.2 | Very high | 89.6 | Confident | 17 Ų | 17 | 21.8 Ų | 21.8 | 9% | 0.091 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -73.5 | -28.3 | 177.6 | -166.9 | 57.7 | 0 | 0 | 0 | 113.3 | G191 I197 A198 P199 G200 C202 W205 | G191-D195 WeakPolarHBondContact O-CB 3.31Å; G191-D195 PolarHBondContact O-N 3.1Å; D195-I197 VanDerWaalsContact C-N 3.35Å; D195-A198 CarbonylContact O-C 3.34Å; D195-P199 WeakPolarHBondContact O-CA 3.16Å; D195-P199 WeakPolarHBondContact O-CD 3.22Å; D195-G200 PolarHBondContact OD1-N 3.11Å; D195-C202 HydrophobicContact CB-CB 4.13Å; D195-C202 PolarHBondContact OD1-N 3.38Å; D195-W205 VanDerWaalsContact CB-CD1 3.43Å; D195-W205 PolarHBondContact OD2-NE1 2.81Å |
| 196 | S | 90.1 | Very high | 89.2 | Confident | 39 Ų | 39 | 24.2 Ų | 24.2 | 27% | 0.273 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -78 | -20.2 | 175.2 | 72.8 | 0 | 0 | 0 | 0 | 113.8 | K171 A192 L193 | K171-S196 WeakPolarHBondContact O-CB 3.21Å; K171-S196 PolarHBondContact O-OG 2.94Å; A192-S196 VanDerWaalsContact O-CB 3.28Å; A192-S196 WeakPolarHBondContact O-CB 3.21Å; A192-S196 PolarHBondContact O-N 3.47Å; A192-S196 PolarHBondContact O-OG 2.86Å; L193-S196 PolarHBondContact O-N 2.7Å; L193-S196 PolarHBondContact O-OG 2.79Å |
| 197 | I | 89.7 | Confident | 88.8 | Confident | 43 Ų | 43 | 27.1 Ų | 27.1 | 22% | 0.221 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -87.6 | -36.9 | 173.7 | -67.6 | 164.8 | 0 | 0 | 0 | 111.3 | W167 L193 D195 L228 Y256 A259 | W167-I197 HydrophobicContact CH2-CD1 4.02Å; L193-I197 HydrophobicContact CD1-CD1 3.9Å; L193-I197 HydrophobicContact CD1-CG1 4.5Å; L193-I197 HydrophobicContact CG-CD1 3.97Å; L193-I197 WeakPolarHBondContact O-CB 3.18Å; L193-I197 WeakPolarHBondContact O-CD1 2.94Å; L193-I197 VanDerWaalsContact O-CG1 3.28Å; L193-I197 WeakPolarHBondContact O-CG1 3.12Å; L193-I197 PolarHBondContact O-N 2.91Å; L193-I197 VanDerWaalsContact O-N 3.14Å; D195-I197 VanDerWaalsContact C-N 3.35Å; I197-L228 HydrophobicContact CB-CD1 4.27Å; I197-L228 HydrophobicContact CG2-CD1 4.03Å; I197-L228 HydrophobicContact CG2-CD2 3.91Å; I197-Y256 HydrophobicContact CD1-CD1 3.59Å; I197-Y256 HydrophobicContact CD1-CG 4.14Å; I197-A259 HydrophobicContact CG2-CB 3.84Å |
| 198 | A | 87.1 | Confident | 88.6 | Confident | 4 Ų | 4 | 28.8 Ų | 28.8 | 3% | 0.033 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -131.5 | 87.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V194 D195 G200 L201 L228 L261 L267 | V194-A198 PolarHBondContact O-N 2.86Å; D195-A198 CarbonylContact O-C 3.34Å; A198-G200 PolarHBondContact O-N 3.44Å; A198-L201 HydrophobicContact CB-CB 3.86Å; A198-L201 HydrophobicContact CB-CD2 3.93Å; A198-L201 WeakPolarHBondContact O-CB 3.3Å; A198-L201 PolarHBondContact O-N 2.91Å; A198-L228 HydrophobicContact CB-CD2 3.72Å; A198-L261 HydrophobicContact CB-CD1 3.82Å; A198-L267 HydrophobicContact CB-CD2 4.11Å |
| 199 | P | 84.3 | Confident | 87.9 | Confident | 83 Ų | 83 | 31 Ų | 31 | 54% | 0.539 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 122.2 | 179.6 | -30.1 | 37.3 | 0 | 0 | 0 | 112.8 | D195 | D195-P199 WeakPolarHBondContact O-CA 3.16Å; D195-P199 WeakPolarHBondContact O-CD 3.22Å |
| 200 | G | 83.3 | Confident | 87.2 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.4 | -5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D195 A198 P203 K268 | D195-G200 PolarHBondContact OD1-N 3.11Å; A198-G200 PolarHBondContact O-N 3.44Å; G200-P203 WeakPolarHBondContact O-CD 3.22Å; G200-K268 WeakPolarHBondContact CA-O 3.34Å; G200-K268 WeakPolarHBondContact O-CB 3.22Å; G200-K268 PolarHBondContact O-N 2.73Å |
| 201 | L | 89.7 | Confident | 86.3 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -74.8 | -36.8 | 173.4 | -172.9 | 62.4 | 0 | 0 | 0 | 112.2 | V194 A198 L223 W227 L228 A265 L267 | V194-L201 HydrophobicContact CG1-CD2 3.83Å; V194-L201 HydrophobicContact CG1-CG 4.26Å; A198-L201 HydrophobicContact CB-CB 3.86Å; A198-L201 HydrophobicContact CB-CD2 3.93Å; A198-L201 WeakPolarHBondContact O-CB 3.3Å; A198-L201 PolarHBondContact O-N 2.91Å; L201-L223 HydrophobicContact CD1-CD2 4.01Å; L201-L223 HydrophobicContact CD2-CB 4.36Å; L201-L223 HydrophobicContact CG-CB 4.25Å; L201-L223 HydrophobicContact CG-CD2 4.27Å; L201-L223 WeakPolarHBondContact O-CD1 3.38Å; L201-W227 HydrophobicContact CD1-CB 3.93Å; L201-W227 HydrophobicContact CD1-CG 3.95Å; L201-W227 HydrophobicContact CD2-CB 3.96Å; L201-L228 HydrophobicContact CD2-CD1 4.14Å; L201-L228 HydrophobicContact CD2-CD2 4.09Å; L201-L228 HydrophobicContact CD2-CG 3.79Å; L201-A265 HydrophobicContact CD1-CB 4.44Å; L201-L267 HydrophobicContact CB-CD2 3.8Å; L201-L267 HydrophobicContact CD1-CD2 4.3Å |
| 202 | C | 91.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -136 | 34.4 | -176.2 | -164.2 | 0 | 0 | 0 | 0 | 114.4 | V194 D195 E204 W205 W208 L223 | V194-C202 HydrophobicContact CB-CB 4.29Å; V194-C202 HydrophobicContact CG1-CB 3.88Å; D195-C202 HydrophobicContact CB-CB 4.13Å; D195-C202 PolarHBondContact OD1-N 3.38Å; C202-E204 PolarHBondContact O-N 3.34Å; C202-W205 VanDerWaalsContact O-CD1 3.23Å; C202-W205 PolarHBondContact O-N 2.92Å; C202-W208 WeakPolarHBondContact SG-CH2 3.3Å; C202-L223 HydrophobicContact CB-CD1 3.8Å |
| 203 | P | 82.6 | Confident | 85.5 | Confident | 11 Ų | 11 | 46.1 Ų | 46.1 | 7% | 0.071 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -64.9 | -22.4 | -161.5 | 29 | -37.6 | 0 | 0 | 0 | 114 | G200 W205 K268 | G200-P203 WeakPolarHBondContact O-CD 3.22Å; P203-W205 PolarHBondContact O-N 2.9Å; P203-W205 VanDerWaalsContact O-N 3.12Å; P203-K268 HydrophobicContact CG-CB 4.29Å; P203-K268 HydrophobicContact CG-CD 4.09Å |
| 204 | E | 80 | Confident | 85.2 | Confident | 54 Ų | 54 | 49.4 Ų | 49.4 | 25% | 0.252 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -59 | -13.5 | 171.9 | 44.3 | -96.3 | -165.4 | 0 | 0 | 115 | C202 K206 S207 W208 K268 | C202-E204 PolarHBondContact O-N 3.34Å; E204-K206 PolarHBondContact O-N 2.91Å; E204-S207 WeakPolarHBondContact O-CB 3.47Å; E204-S207 PolarHBondContact O-N 2.74Å; E204-S207 PolarHBondContact O-OG 2.62Å; E204-W208 HydrophobicContact CG-CZ2 4.24Å; E204-W208 PolarHBondContact O-N 3.29Å; E204-W208 PolarHBondContact O-NE1 2.83Å; E204-K268 IonicContact OE1-NZ 2.66Å; E204-K268 PolarHBondContact OE1-NZ 2.92Å; E204-K268 IonicContact OE2-NZ 2.65Å; E204-K268 PolarHBondContact OE2-NZ 3.29Å |
| 205 | W | 85.7 | Confident | 85 | Confident | 27 Ų | 27 | 56.6 Ų | 56.6 | 10% | 0.102 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -50.9 | -34.1 | 179.9 | 74 | -99.8 | 0 | 0 | 0 | 113.5 | Q174 I175 A192 D195 C202 P203 S207 W208 | Q174-W205 HydrophobicContact CG-CH2 4Å; I175-W205 HydrophobicContact CD1-CH2 4.29Å; I175-W205 HydrophobicContact CD1-CZ3 3.89Å; A192-W205 HydrophobicContact CB-CD2 3.64Å; A192-W205 HydrophobicContact CB-CE3 3.69Å; A192-W205 HydrophobicContact CB-CG 4.3Å; A192-W205 HydrophobicContact CB-CH2 3.87Å; A192-W205 HydrophobicContact CB-CZ2 3.8Å; A192-W205 HydrophobicContact CB-CZ3 3.82Å; D195-W205 VanDerWaalsContact CB-CD1 3.43Å; D195-W205 PolarHBondContact OD2-NE1 2.81Å; C202-W205 VanDerWaalsContact O-CD1 3.23Å; C202-W205 PolarHBondContact O-N 2.92Å; P203-W205 PolarHBondContact O-N 2.9Å; P203-W205 VanDerWaalsContact O-N 3.12Å; W205-S207 PolarHBondContact O-N 2.92Å; W205-W208 HydrophobicContact CB-CD2 4.29Å; W205-W208 HydrophobicContact CB-CE3 4.15Å; W205-W208 HydrophobicContact CB-CZ3 4.36Å; W205-W208 WeakPolarHBondContact O-CB 3.29Å; W205-W208 PolarHBondContact O-N 3.22Å |
| 206 | K | 80.6 | Confident | 85.1 | Confident | 101 Ų | 101 | 56.1 Ų | 56.1 | 44% | 0.439 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -64.5 | -24.9 | 179.1 | -59.7 | 178.8 | -178.5 | 174.7 | 0 | 113.4 | E204 E273 | E204-K206 PolarHBondContact O-N 2.91Å; K206-E273 VanDerWaalsContact CD-OE1 3.23Å; K206-E273 WeakPolarHBondContact CD-OE1 3.33Å; K206-E273 IonicContact NZ-OE1 2.66Å; K206-E273 PolarHBondContact NZ-OE1 3.21Å; K206-E273 IonicContact NZ-OE2 2.7Å; K206-E273 PolarHBondContact NZ-OE2 3.17Å |
| 207 | S | 80.1 | Confident | 85.4 | Confident | 87 Ų | 87 | 54.2 Ų | 54.2 | 61% | 0.608 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -96.4 | -11.4 | 178.9 | 73.1 | 0 | 0 | 0 | 0 | 113.8 | E204 W205 | E204-S207 WeakPolarHBondContact O-CB 3.47Å; E204-S207 PolarHBondContact O-N 2.74Å; E204-S207 PolarHBondContact O-OG 2.62Å; W205-S207 PolarHBondContact O-N 2.92Å |
| 208 | W | 86 | Confident | 85.7 | Confident | 35 Ų | 35 | 54 Ų | 54 | 13% | 0.133 | 29% | 0.288 | C | S | . | . | trans | -65.1 | 145.2 | -176.7 | -69 | -2 | 0 | 0 | 0 | 111.5 | R188 C202 E204 W205 N216 T219 A220 | R188-W208 VanDerWaalsContact CD-O 3.22Å; R188-W208 WeakPolarHBondContact CD-O 3.29Å; R188-W208 HydrophobicContact CG-CB 3.98Å; C202-W208 WeakPolarHBondContact SG-CH2 3.3Å; E204-W208 HydrophobicContact CG-CZ2 4.24Å; E204-W208 PolarHBondContact O-N 3.29Å; E204-W208 PolarHBondContact O-NE1 2.83Å; W205-W208 HydrophobicContact CB-CD2 4.29Å; W205-W208 HydrophobicContact CB-CE3 4.15Å; W205-W208 HydrophobicContact CB-CZ3 4.36Å; W205-W208 WeakPolarHBondContact O-CB 3.29Å; W205-W208 PolarHBondContact O-N 3.22Å; W208-N216 HydrophobicContact CD2-CB 4.11Å; W208-N216 HydrophobicContact CE3-CB 3.46Å; W208-N216 VanDerWaalsContact CE3-CB 3.46Å; W208-N216 VanDerWaalsContact CH2-O 3.3Å; W208-N216 WeakPolarHBondContact CH2-O 3.33Å; W208-N216 HydrophobicContact CZ3-CB 3.75Å; W208-N216 VanDerWaalsContact CZ3-O 3.24Å; W208-N216 WeakPolarHBondContact CZ3-O 3.14Å; W208-T219 HydrophobicContact CH2-CG2 4.19Å; W208-T219 HydrophobicContact CZ2-CG2 3.93Å; W208-A220 HydrophobicContact CH2-CB 4.2Å; W208-A220 HydrophobicContact CZ3-CB 4.35Å | ||
| 209 | K | 77.7 | Confident | 86 | Confident | 138 Ų | 138 | 56 Ų | 56 | 60% | 0.6 | 30% | 0.3 | S | S | * | . | trans | -106 | 141 | 177.2 | -61.8 | -172.4 | 179.7 | -176.1 | 0 | 109.6 | A211 Y212 N216 | K209-A211 PolarHBondContact O-N 2.82Å; K209-Y212 HydrophobicContact CB-CD2 4.06Å; K209-Y212 HydrophobicContact CB-CE2 4.33Å; K209-Y212 PolarHBondContact O-N 2.65Å; K209-N216 PolarHBondContact O-ND2 2.98Å | ||
| 210 | P | 77.4 | Confident | 86.5 | Confident | 67 Ų | 67 | 52.1 Ų | 52.1 | 44% | 0.435 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -64 | -23.5 | -176.8 | 24.8 | -34 | 0 | 0 | 0 | 113.4 | D186 Y212 A213 | D186-P210 HydrophobicContact CB-CB 3.72Å; P210-Y212 PolarHBondContact O-N 3Å; P210-A213 PolarHBondContact O-N 2.9Å |
| 211 | A | 77.3 | Confident | 87.2 | Confident | 92 Ų | 92 | 52 Ų | 52 | 76% | 0.76 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -62.1 | -9.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | K209 | K209-A211 PolarHBondContact O-N 2.82Š|
| 212 | Y | 83.3 | Confident | 87.5 | Confident | 144 Ų | 144 | 55.3 Ų | 55.3 | 57% | 0.565 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -109.5 | 23 | 174.9 | -58.2 | -57.8 | 0 | 0 | 0 | 112.9 | K209 P210 L214 K215 N216 | K209-Y212 HydrophobicContact CB-CD2 4.06Å; K209-Y212 HydrophobicContact CB-CE2 4.33Å; K209-Y212 PolarHBondContact O-N 2.65Å; P210-Y212 PolarHBondContact O-N 3Å; Y212-L214 PolarHBondContact O-N 2.65Å; Y212-L214 VanDerWaalsContact O-N 3.16Å; Y212-K215 PolarHBondContact O-N 2.89Å; Y212-N216 VanDerWaalsContact O-CG 3.27Å; Y212-N216 PolarHBondContact O-N 3.27Å; Y212-N216 PolarHBondContact O-OD1 3.02Å |
| 213 | A | 86.8 | Confident | 87.6 | Confident | 23 Ų | 23 | 56.5 Ų | 56.5 | 19% | 0.19 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -32.3 | -61.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S185 P210 K215 N216 T217 I240 | S185-A213 WeakPolarHBondContact O-CB 3.42Å; P210-A213 PolarHBondContact O-N 2.9Å; A213-K215 PolarHBondContact O-N 2.72Å; A213-N216 WeakPolarHBondContact O-CB 3.21Å; A213-N216 PolarHBondContact O-N 3.22Å; A213-T217 WeakPolarHBondContact O-CB 3.48Å; A213-T217 PolarHBondContact O-N 2.95Å; A213-T217 PolarHBondContact O-OG1 2.92Å; A213-T217 VanDerWaalsContact O-OG1 3.07Å; A213-I240 HydrophobicContact CB-CD1 4.48Å |
| 214 | L | 89.6 | Confident | 88.2 | Confident | 69 Ų | 69 | 56 Ų | 56 | 36% | 0.361 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.9 | -50.4 | -179 | -175.8 | 59.3 | 0 | 0 | 0 | 112.1 | Y212 N216 T217 T218 P236 E237 I240 | Y212-L214 PolarHBondContact O-N 2.65Å; Y212-L214 VanDerWaalsContact O-N 3.16Å; L214-N216 VanDerWaalsContact C-N 3.34Å; L214-N216 PolarHBondContact O-N 3.24Å; L214-T217 PolarHBondContact O-N 2.66Å; L214-T218 WeakPolarHBondContact O-CB 3.45Å; L214-T218 PolarHBondContact O-N 3.37Å; L214-T218 PolarHBondContact O-OG1 2.7Å; L214-P236 HydrophobicContact CD1-CB 3.81Å; L214-E237 HydrophobicContact CD1-CG 3.91Å; L214-I240 HydrophobicContact CB-CD1 3.71Å; L214-I240 HydrophobicContact CD1-CD1 3.86Å; L214-I240 HydrophobicContact CG-CD1 4.34Å |
| 215 | K | 90.1 | Very high | 88.9 | Confident | 150 Ų | 150 | 56.4 Ų | 56.4 | 65% | 0.652 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.5 | -40.6 | 178.8 | -177.9 | 179.1 | 177.8 | 179.5 | 0 | 112.4 | Y212 A213 T219 | Y212-K215 PolarHBondContact O-N 2.89Å; A213-K215 PolarHBondContact O-N 2.72Å; K215-T219 VanDerWaalsContact O-CB 3.31Å; K215-T219 WeakPolarHBondContact O-CB 3.36Å; K215-T219 PolarHBondContact O-N 2.8Å; K215-T219 PolarHBondContact O-OG1 2.99Å |
| 216 | N | 94.9 | Very high | 89.2 | Confident | 7 Ų | 7 | 60.6 Ų | 60.6 | 4% | 0.037 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.5 | -52.3 | 175.8 | -62.1 | -15.1 | 0 | 0 | 0 | 109.9 | D186 W208 K209 Y212 A213 L214 T219 A220 | D186-N216 WeakPolarHBondContact O-CB 3.32Å; D186-N216 PolarHBondContact O-ND2 2.96Å; W208-N216 HydrophobicContact CD2-CB 4.11Å; W208-N216 HydrophobicContact CE3-CB 3.46Å; W208-N216 VanDerWaalsContact CE3-CB 3.46Å; W208-N216 VanDerWaalsContact CH2-O 3.3Å; W208-N216 WeakPolarHBondContact CH2-O 3.33Å; W208-N216 HydrophobicContact CZ3-CB 3.75Å; W208-N216 VanDerWaalsContact CZ3-O 3.24Å; W208-N216 WeakPolarHBondContact CZ3-O 3.14Å; K209-N216 PolarHBondContact O-ND2 2.98Å; Y212-N216 VanDerWaalsContact O-CG 3.27Å; Y212-N216 PolarHBondContact O-N 3.27Å; Y212-N216 PolarHBondContact O-OD1 3.02Å; A213-N216 WeakPolarHBondContact O-CB 3.21Å; A213-N216 PolarHBondContact O-N 3.22Å; L214-N216 VanDerWaalsContact C-N 3.34Å; L214-N216 PolarHBondContact O-N 3.24Å; N216-T219 PolarHBondContact O-N 2.87Å; N216-A220 PolarHBondContact O-N 2.81Å |
| 217 | T | 96.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.6 | -51.8 | -179.7 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | G187 L190 A213 L214 T219 A220 M221 P236 F239 I240 | G187-T217 WeakPolarHBondContact CA-OG1 3.37Å; L190-T217 HydrophobicContact CD2-CG2 4.27Å; A213-T217 WeakPolarHBondContact O-CB 3.48Å; A213-T217 PolarHBondContact O-N 2.95Å; A213-T217 PolarHBondContact O-OG1 2.92Å; A213-T217 VanDerWaalsContact O-OG1 3.07Å; L214-T217 PolarHBondContact O-N 2.66Å; T217-T219 VanDerWaalsContact C-N 3.33Å; T217-T219 PolarHBondContact O-N 2.84Å; T217-A220 PolarHBondContact O-N 2.77Å; T217-M221 HydrophobicContact CG2-CG 4.25Å; T217-M221 HydrophobicContact CG2-SD 3.5Å; T217-M221 VanDerWaalsContact CG2-SD 3.5Å; T217-M221 WeakPolarHBondContact O-CB 3.48Å; T217-M221 VanDerWaalsContact O-CG 3.27Å; T217-M221 WeakPolarHBondContact O-CG 3.4Å; T217-M221 PolarHBondContact O-N 2.86Å; T217-P236 HydrophobicContact CG2-CB 4.11Å; T217-F239 HydrophobicContact CG2-CB 4.08Å; T217-F239 HydrophobicContact CG2-CD1 3.56Å; T217-F239 HydrophobicContact CG2-CE1 4.11Å; T217-F239 HydrophobicContact CG2-CG 3.83Å; T217-I240 HydrophobicContact CG2-CG2 4.05Å; T217-I240 VanDerWaalsContact OG1-CG2 3.27Å; T217-I240 WeakPolarHBondContact OG1-CG2 3.26Å |
| 218 | T | 95.5 | Very high | 90.4 | Very high | 39 Ų | 39 | 54.1 Ų | 54.1 | 24% | 0.239 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55.1 | -46.8 | 176 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | L214 A220 M221 D222 P236 | L214-T218 WeakPolarHBondContact O-CB 3.45Å; L214-T218 PolarHBondContact O-N 3.37Å; L214-T218 PolarHBondContact O-OG1 2.7Å; T218-A220 PolarHBondContact O-N 3.07Å; T218-M221 PolarHBondContact O-N 3Å; T218-D222 WeakPolarHBondContact O-CB 3.28Å; T218-D222 VanDerWaalsContact O-CG 3.27Å; T218-D222 PolarHBondContact O-N 2.86Å; T218-P236 HydrophobicContact CG2-CG 4.35Å; T218-P236 WeakPolarHBondContact OG1-CB 3.41Å |
| 219 | T | 92.7 | Very high | 90.5 | Very high | 46 Ų | 46 | 55.3 Ų | 55.3 | 28% | 0.282 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.5 | -44.9 | 179 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | W208 K215 N216 T217 L223 | W208-T219 HydrophobicContact CH2-CG2 4.19Å; W208-T219 HydrophobicContact CZ2-CG2 3.93Å; K215-T219 VanDerWaalsContact O-CB 3.31Å; K215-T219 WeakPolarHBondContact O-CB 3.36Å; K215-T219 PolarHBondContact O-N 2.8Å; K215-T219 PolarHBondContact O-OG1 2.99Å; N216-T219 PolarHBondContact O-N 2.87Å; T217-T219 VanDerWaalsContact C-N 3.33Å; T217-T219 PolarHBondContact O-N 2.84Å; T219-L223 HydrophobicContact CG2-CD1 4.11Å; T219-L223 WeakPolarHBondContact O-CB 3.4Å; T219-L223 WeakPolarHBondContact O-CD1 3.32Å; T219-L223 VanDerWaalsContact O-CG 3.23Å; T219-L223 WeakPolarHBondContact O-CG 3.36Å; T219-L223 PolarHBondContact O-N 2.95Å; T219-L223 VanDerWaalsContact O-N 3.15Å |
| 220 | A | 95.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.1 | -42.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | L190 V194 W208 N216 T217 T218 L223 A224 | L190-A220 HydrophobicContact CB-CB 4.3Å; L190-A220 HydrophobicContact CD2-CB 3.94Å; L190-A220 HydrophobicContact CG-CB 3.93Å; V194-A220 HydrophobicContact CG2-CB 4.17Å; W208-A220 HydrophobicContact CH2-CB 4.2Å; W208-A220 HydrophobicContact CZ3-CB 4.35Å; N216-A220 PolarHBondContact O-N 2.81Å; T217-A220 PolarHBondContact O-N 2.77Å; T218-A220 PolarHBondContact O-N 3.07Å; A220-L223 PolarHBondContact O-N 3.3Å; A220-A224 WeakPolarHBondContact O-CB 3.24Å; A220-A224 PolarHBondContact O-N 2.95Å |
| 221 | M | 97.3 | Very high | 92 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.5 | -39.3 | 179.6 | -65.9 | 175.5 | 100 | 0 | 0 | 112.4 | L190 T217 T218 A224 E225 K232 I234 P236 F239 Y252 | L190-M221 HydrophobicContact CD2-CG 3.51Å; L190-M221 HydrophobicContact CD2-SD 4.36Å; T217-M221 HydrophobicContact CG2-CG 4.25Å; T217-M221 HydrophobicContact CG2-SD 3.5Å; T217-M221 VanDerWaalsContact CG2-SD 3.5Å; T217-M221 WeakPolarHBondContact O-CB 3.48Å; T217-M221 VanDerWaalsContact O-CG 3.27Å; T217-M221 WeakPolarHBondContact O-CG 3.4Å; T217-M221 PolarHBondContact O-N 2.86Å; T218-M221 PolarHBondContact O-N 3Å; M221-A224 PolarHBondContact O-N 2.88Å; M221-E225 WeakPolarHBondContact O-CB 3.39Å; M221-E225 PolarHBondContact O-N 2.63Å; M221-K232 HydrophobicContact CB-CG 4.34Å; M221-K232 HydrophobicContact CE-CG 4.49Å; M221-I234 HydrophobicContact CE-CG2 3.82Å; M221-I234 WeakPolarHBondContact CE-O 3.23Å; M221-P236 HydrophobicContact SD-CB 3.99Å; M221-P236 HydrophobicContact SD-CG 3.75Å; M221-F239 HydrophobicContact CE-CB 4.34Å; M221-F239 HydrophobicContact CE-CD2 3.82Å; M221-F239 HydrophobicContact CE-CG 4.4Å; M221-F239 HydrophobicContact SD-CB 4.45Å; M221-F239 HydrophobicContact SD-CD2 4.26Å; M221-F239 HydrophobicContact SD-CG 4.45Å; M221-Y252 HydrophobicContact CE-CE1 3.88Å; M221-Y252 HydrophobicContact CE-CE2 4.07Å |
| 222 | D | 95.9 | Very high | 92.8 | Very high | 71 Ų | 71 | 44.3 Ų | 44.3 | 38% | 0.38 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.4 | -46.4 | 173.7 | -75.7 | -20.1 | 0 | 0 | 0 | 111.2 | T218 A224 E225 Q226 K232 | T218-D222 WeakPolarHBondContact O-CB 3.28Å; T218-D222 VanDerWaalsContact O-CG 3.27Å; T218-D222 PolarHBondContact O-N 2.86Å; D222-A224 VanDerWaalsContact C-N 3.32Å; D222-A224 PolarHBondContact O-N 2.82Å; D222-E225 PolarHBondContact O-N 2.9Å; D222-Q226 WeakPolarHBondContact O-CB 3.38Å; D222-Q226 PolarHBondContact O-N 3.12Å; D222-K232 WeakPolarHBondContact OD1-CE 3.08Å; D222-K232 IonicContact OD1-NZ 3.14Å; D222-K232 PolarHBondContact OD1-NZ 2.79Å |
| 223 | L | 94.5 | Very high | 93.4 | Very high | 25 Ų | 25 | 37.7 Ų | 37.7 | 13% | 0.131 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.4 | -38.1 | 176.1 | -71 | 168.2 | 0 | 0 | 0 | 111.8 | V194 L201 C202 T219 A220 W227 | V194-L223 HydrophobicContact CG1-CB 4.06Å; L201-L223 HydrophobicContact CD1-CD2 4.01Å; L201-L223 HydrophobicContact CD2-CB 4.36Å; L201-L223 HydrophobicContact CG-CB 4.25Å; L201-L223 HydrophobicContact CG-CD2 4.27Å; L201-L223 WeakPolarHBondContact O-CD1 3.38Å; C202-L223 HydrophobicContact CB-CD1 3.8Å; T219-L223 HydrophobicContact CG2-CD1 4.11Å; T219-L223 WeakPolarHBondContact O-CB 3.4Å; T219-L223 WeakPolarHBondContact O-CD1 3.32Å; T219-L223 VanDerWaalsContact O-CG 3.23Å; T219-L223 WeakPolarHBondContact O-CG 3.36Å; T219-L223 PolarHBondContact O-N 2.95Å; T219-L223 VanDerWaalsContact O-N 3.15Å; A220-L223 PolarHBondContact O-N 3.3Å; L223-W227 WeakPolarHBondContact O-CA 3.39Å; L223-W227 WeakPolarHBondContact O-CB 3.43Å; L223-W227 PolarHBondContact O-N 2.81Å |
| 224 | A | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.9 | -41.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V194 A220 M221 D222 L228 T229 V230 Y256 | V194-A224 HydrophobicContact CG2-CB 4.01Å; A220-A224 WeakPolarHBondContact O-CB 3.24Å; A220-A224 PolarHBondContact O-N 2.95Å; M221-A224 PolarHBondContact O-N 2.88Å; D222-A224 VanDerWaalsContact C-N 3.32Å; D222-A224 PolarHBondContact O-N 2.82Å; A224-L228 HydrophobicContact CB-CD1 4.5Å; A224-L228 CarbonylContact O-C 3.6Å; A224-L228 VanDerWaalsContact O-C 3.3Å; A224-L228 VanDerWaalsContact O-CA 3.24Å; A224-L228 WeakPolarHBondContact O-CA 3.48Å; A224-L228 VanDerWaalsContact O-CB 3.28Å; A224-L228 WeakPolarHBondContact O-CB 3.45Å; A224-L228 PolarHBondContact O-N 2.68Å; A224-T229 PolarHBondContact O-N 2.89Å; A224-T229 VanDerWaalsContact O-N 3.15Å; A224-V230 HydrophobicContact CB-CB 4.07Å; A224-V230 PolarHBondContact O-N 2.77Å; A224-Y256 HydrophobicContact CB-CE1 3.95Å; A224-Y256 WeakPolarHBondContact CB-OH 3.46Å |
| 225 | E | 94.6 | Very high | 94.1 | Very high | 63 Ų | 63 | 36.6 Ų | 36.6 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -72.5 | -46.7 | 178.5 | -177.5 | 165.5 | -104.2 | 0 | 0 | 111.7 | M221 D222 V230 K232 R262 | M221-E225 WeakPolarHBondContact O-CB 3.39Å; M221-E225 PolarHBondContact O-N 2.63Å; D222-E225 PolarHBondContact O-N 2.9Å; E225-V230 WeakPolarHBondContact CA-O 3.43Å; E225-V230 WeakPolarHBondContact CB-O 3.43Å; E225-V230 PolarHBondContact N-O 2.85Å; E225-K232 WeakPolarHBondContact OE1-CG 3.33Å; E225-K232 PolarHBondContact OE1-N 3.27Å; E225-K232 WeakPolarHBondContact OE2-CE 3.24Å; E225-K232 IonicContact OE2-NZ 3.54Å; E225-K232 PolarHBondContact OE2-NZ 2.72Å; E225-R262 PolarHBondContact O-NH2 3.27Å |
| 226 | Q | 91.5 | Very high | 94.4 | Very high | 116 Ų | 116 | 29.9 Ų | 29.9 | 54% | 0.542 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -68.5 | -42.5 | -179.5 | -167.8 | 174 | 60.9 | 0 | 0 | 111.7 | D222 R262 | D222-Q226 WeakPolarHBondContact O-CB 3.38Å; D222-Q226 PolarHBondContact O-N 3.12Å; Q226-R262 WeakPolarHBondContact O-CD 3.29Å; Q226-R262 PolarHBondContact O-NE 3.01Å |
| 227 | W | 94.9 | Very high | 94.2 | Very high | 50 Ų | 50 | 34.6 Ų | 34.6 | 19% | 0.189 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -118.4 | -21 | -169.8 | -56.1 | 107.1 | 0 | 0 | 0 | 116.2 | L201 L223 L261 R262 A265 P266 | L201-W227 HydrophobicContact CD1-CB 3.93Å; L201-W227 HydrophobicContact CD1-CG 3.95Å; L201-W227 HydrophobicContact CD2-CB 3.96Å; L223-W227 WeakPolarHBondContact O-CA 3.39Å; L223-W227 WeakPolarHBondContact O-CB 3.43Å; L223-W227 PolarHBondContact O-N 2.81Å; W227-L261 HydrophobicContact CB-CD1 4.34Å; W227-L261 CarbonylContact O-C 3.4Å; W227-L261 VanDerWaalsContact O-CA 3.26Å; W227-L261 WeakPolarHBondContact O-CA 3.49Å; W227-R262 HydrophobicContact CE3-CB 4.17Å; W227-R262 PolarHBondContact O-N 3.29Å; W227-A265 HydrophobicContact CB-CB 4.05Å; W227-A265 HydrophobicContact CD2-CB 3.79Å; W227-A265 HydrophobicContact CE3-CB 3.55Å; W227-A265 HydrophobicContact CG-CB 4.01Å; W227-A265 HydrophobicContact CZ3-CB 4.28Å; W227-P266 HydrophobicContact CZ2-CG 4.3Å |
| 228 | L | 92.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -106.2 | 4.4 | -179.2 | -65.7 | -177.9 | 0 | 0 | 0 | 114.7 | V194 I197 A198 L201 A224 V230 A259 K260 L261 | V194-L228 HydrophobicContact CB-CD1 4.37Å; V194-L228 HydrophobicContact CG1-CD1 3.95Å; V194-L228 HydrophobicContact CG2-CD1 4.48Å; I197-L228 HydrophobicContact CB-CD1 4.27Å; I197-L228 HydrophobicContact CG2-CD1 4.03Å; I197-L228 HydrophobicContact CG2-CD2 3.91Å; A198-L228 HydrophobicContact CB-CD2 3.72Å; L201-L228 HydrophobicContact CD2-CD1 4.14Å; L201-L228 HydrophobicContact CD2-CD2 4.09Å; L201-L228 HydrophobicContact CD2-CG 3.79Å; A224-L228 HydrophobicContact CB-CD1 4.5Å; A224-L228 CarbonylContact O-C 3.6Å; A224-L228 VanDerWaalsContact O-C 3.3Å; A224-L228 VanDerWaalsContact O-CA 3.24Å; A224-L228 WeakPolarHBondContact O-CA 3.48Å; A224-L228 VanDerWaalsContact O-CB 3.28Å; A224-L228 WeakPolarHBondContact O-CB 3.45Å; A224-L228 PolarHBondContact O-N 2.68Å; L228-V230 HydrophobicContact CB-CG2 4.22Å; L228-V230 PolarHBondContact O-N 2.8Å; L228-A259 HydrophobicContact CB-CB 4.09Å; L228-A259 CarbonylContact O-C 3.48Å; L228-A259 WeakPolarHBondContact O-CA 3.42Å; L228-K260 CarbonylContact C-O 3.18Å; L228-K260 VanDerWaalsContact C-O 3.27Å; L228-K260 WeakPolarHBondContact CA-O 3.38Å; L228-K260 PolarHBondContact O-N 2.85Å; L228-L261 HydrophobicContact CD2-CD1 4.09Å |
| 229 | T | 88 | Confident | 94.1 | Very high | 60 Ų | 60 | 34.1 Ų | 34.1 | 37% | 0.368 | 17% | 0.17 | S | C | . | . | trans | 54.9 | 35.5 | -173.9 | 68.1 | 0 | 0 | 0 | 0 | 114 | A224 P231 K260 R262 | A224-T229 PolarHBondContact O-N 2.89Å; A224-T229 VanDerWaalsContact O-N 3.15Å; T229-P231 WeakPolarHBondContact O-CD 3.44Å; T229-K260 PolarHBondContact OG1-N 3.27Å; T229-R262 HydrophobicContact CG2-CG 3.83Å | ||
| 230 | V | 94.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | trans | -107.5 | 96.3 | 175.6 | 178 | 0 | 0 | 0 | 0 | 109.7 | A224 E225 L228 Y252 Q255 Y256 A259 | A224-V230 HydrophobicContact CB-CB 4.07Å; A224-V230 PolarHBondContact O-N 2.77Å; E225-V230 WeakPolarHBondContact CA-O 3.43Å; E225-V230 WeakPolarHBondContact CB-O 3.43Å; E225-V230 PolarHBondContact N-O 2.85Å; L228-V230 HydrophobicContact CB-CG2 4.22Å; L228-V230 PolarHBondContact O-N 2.8Å; V230-Y252 HydrophobicContact CG1-CE2 4.16Å; V230-Q255 HydrophobicContact CG1-CB 3.88Å; V230-Y256 HydrophobicContact CB-CE1 4.43Å; V230-Y256 HydrophobicContact CG1-CD2 4.22Å; V230-Y256 HydrophobicContact CG1-CE1 4.2Å; V230-Y256 HydrophobicContact CG1-CE2 3.8Å; V230-Y256 HydrophobicContact CG2-CD1 4.03Å; V230-Y256 HydrophobicContact CG2-CE1 4.12Å; V230-Y256 HydrophobicContact CG2-CG 4.38Å; V230-A259 HydrophobicContact CG2-CB 3.81Å | ||
| 231 | P | 92.2 | Very high | 93.9 | Very high | 26 Ų | 26 | 35.2 Ų | 35.2 | 17% | 0.169 | 18% | 0.176 | C | C | . | . | trans | -70.7 | 151.4 | -178.9 | 27.5 | -32.7 | 0 | 0 | 0 | 112.7 | E41 T229 L233 Y252 Q255 | E41-P231 HydrophobicContact CG-CG 3.99Å; T229-P231 WeakPolarHBondContact O-CD 3.44Å; P231-L233 HydrophobicContact CG-CD2 4.44Å; P231-L233 PolarHBondContact O-N 2.91Å; P231-Y252 WeakPolarHBondContact O-CE2 3.16Å; P231-Q255 PolarHBondContact O-NE2 2.81Å | ||
| 232 | K | 93.9 | Very high | 93.3 | Very high | 40 Ų | 40 | 41.3 Ų | 41.3 | 17% | 0.174 | 22% | 0.215 | C | C | . | . | trans | -72 | 83.9 | 179 | -68 | 170.1 | -172.8 | 135.1 | 0 | 112.1 | R37 M221 D222 E225 I234 | R37-K232 VanDerWaalsContact CD-O 3.26Å; R37-K232 WeakPolarHBondContact CD-O 3.43Å; M221-K232 HydrophobicContact CB-CG 4.34Å; M221-K232 HydrophobicContact CE-CG 4.49Å; D222-K232 WeakPolarHBondContact OD1-CE 3.08Å; D222-K232 IonicContact OD1-NZ 3.14Å; D222-K232 PolarHBondContact OD1-NZ 2.79Å; E225-K232 WeakPolarHBondContact OE1-CG 3.33Å; E225-K232 PolarHBondContact OE1-N 3.27Å; E225-K232 WeakPolarHBondContact OE2-CE 3.24Å; E225-K232 IonicContact OE2-NZ 3.54Å; E225-K232 PolarHBondContact OE2-NZ 2.72Å; K232-I234 PolarHBondContact O-N 2.92Å | ||
| 233 | L | 96.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -72.2 | -19.9 | 171.2 | -53.7 | -175.1 | 0 | 0 | 0 | 112.5 | T34 R37 W38 E41 P231 T251 Y252 Q255 | T34-L233 VanDerWaalsContact CA-O 3.28Å; T34-L233 WeakPolarHBondContact CA-O 3.36Å; T34-L233 HydrophobicContact CG2-CB 4.31Å; R37-L233 HydrophobicContact CB-CB 4.38Å; R37-L233 HydrophobicContact CB-CD2 4.11Å; R37-L233 VanDerWaalsContact CD-O 3.31Å; R37-L233 WeakPolarHBondContact CD-O 3.07Å; R37-L233 PolarHBondContact NH1-O 2.78Å; W38-L233 HydrophobicContact CB-CD1 4.02Å; W38-L233 HydrophobicContact CG-CD1 4.27Å; E41-L233 HydrophobicContact CB-CD2 4.41Å; P231-L233 HydrophobicContact CG-CD2 4.44Å; P231-L233 PolarHBondContact O-N 2.91Å; L233-T251 HydrophobicContact CD1-CG2 4.37Å; L233-Y252 HydrophobicContact CB-CD2 4.17Å; L233-Q255 VanDerWaalsContact CD1-CD 3.41Å; L233-Q255 HydrophobicContact CD1-CG 4.07Å |
| 234 | I | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -127.7 | 142.7 | 171.6 | -169.6 | 169.6 | 0 | 0 | 0 | 107 | I30 M221 K232 E238 F239 V244 M249 Y252 | I30-I234 HydrophobicContact CG2-CD1 3.75Å; I30-I234 HydrophobicContact CG2-CG1 4.26Å; M221-I234 HydrophobicContact CE-CG2 3.82Å; M221-I234 WeakPolarHBondContact CE-O 3.23Å; K232-I234 PolarHBondContact O-N 2.92Å; I234-E238 HydrophobicContact CD1-CB 4.04Å; I234-E238 HydrophobicContact CG1-CB 3.42Å; I234-E238 VanDerWaalsContact CG1-CB 3.42Å; I234-F239 HydrophobicContact CD1-CB 4.46Å; I234-F239 HydrophobicContact CG2-CB 4.31Å; I234-F239 HydrophobicContact CG2-CD2 3.9Å; I234-V244 HydrophobicContact CD1-CG2 3.79Å; I234-M249 HydrophobicContact CG2-CE 4.49Å; I234-Y252 HydrophobicContact CG2-CD1 3.92Å; I234-Y252 HydrophobicContact CG2-CD2 3.82Å; I234-Y252 HydrophobicContact CG2-CE1 4.49Å; I234-Y252 HydrophobicContact CG2-CE2 4.43Å; I234-Y252 HydrophobicContact CG2-CG 3.53Å |
| 235 | E | 94.7 | Very high | 92.7 | Very high | 70 Ų | 70 | 42.6 Ų | 42.6 | 33% | 0.327 | 22% | 0.223 | S | C | . | . | trans | -75.3 | 159.1 | 175.3 | -52.9 | -51.4 | 156.3 | 0 | 0 | 111.6 | R37 E237 E238 F239 | R37-E235 IonicContact CZ-OE1 3.81Å; R37-E235 IonicContact NE-OE1 2.64Å; R37-E235 PolarHBondContact NE-OE1 3.01Å; R37-E235 VanDerWaalsContact NH2-CG 3.29Å; R37-E235 IonicContact NH2-OE1 2.67Å; R37-E235 PolarHBondContact NH2-OE1 2.86Å; E235-E237 PolarHBondContact O-N 3.24Å; E235-E238 HydrophobicContact CB-CB 4.34Å; E235-E238 HydrophobicContact CB-CG 4.11Å; E235-E238 HydrophobicContact CG-CG 4.36Å; E235-E238 PolarHBondContact N-OE2 3.03Å; E235-E238 PolarHBondContact O-N 3.06Å; E235-E238 VanDerWaalsContact O-N 3.16Å; E235-F239 VanDerWaalsContact O-CB 3.28Å; E235-F239 WeakPolarHBondContact O-CB 3.45Å; E235-F239 PolarHBondContact O-N 2.69Å | ||
| 236 | P | 95.2 | Very high | 92.6 | Very high | 8 Ų | 8 | 42.9 Ų | 42.9 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -54.7 | -36 | 173.1 | -25.2 | 34.5 | 0 | 0 | 0 | 114.2 | L214 T217 T218 M221 I240 | L214-P236 HydrophobicContact CD1-CB 3.81Å; T217-P236 HydrophobicContact CG2-CB 4.11Å; T218-P236 HydrophobicContact CG2-CG 4.35Å; T218-P236 WeakPolarHBondContact OG1-CB 3.41Å; M221-P236 HydrophobicContact SD-CB 3.99Å; M221-P236 HydrophobicContact SD-CG 3.75Å; P236-I240 WeakPolarHBondContact O-CG1 3.39Å; P236-I240 PolarHBondContact O-N 2.67Å |
| 237 | E | 91.8 | Very high | 92.8 | Very high | 107 Ų | 107 | 39.9 Ų | 39.9 | 50% | 0.5 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -72.8 | -38.3 | 178.2 | -62.6 | 72.2 | -161.3 | 0 | 0 | 112 | L214 E235 S241 | L214-E237 HydrophobicContact CD1-CG 3.91Å; E235-E237 PolarHBondContact O-N 3.24Å; E237-S241 PolarHBondContact O-N 2.8Å |
| 238 | E | 94 | Very high | 92.8 | Very high | 26 Ų | 26 | 37.5 Ų | 37.5 | 12% | 0.121 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.8 | -38.1 | 173.7 | -67 | 178.1 | 149.6 | 0 | 0 | 110.9 | I30 N33 R37 I234 E235 S241 | I30-E238 HydrophobicContact CG1-CB 4.3Å; I30-E238 HydrophobicContact CG1-CG 4.25Å; I30-E238 HydrophobicContact CG2-CB 4.22Å; N33-E238 PolarHBondContact ND2-OE1 3.32Å; R37-E238 IonicContact CZ-OE2 2.66Å; R37-E238 VanDerWaalsContact CZ-OE2 3.3Å; R37-E238 IonicContact NH1-OE1 3.56Å; R37-E238 IonicContact NH1-OE2 3.49Å; R37-E238 PolarHBondContact NH1-OE2 3.12Å; R37-E238 IonicContact NH2-OE1 2.7Å; R37-E238 PolarHBondContact NH2-OE1 3.12Å; R37-E238 IonicContact NH2-OE2 2.65Å; R37-E238 PolarHBondContact NH2-OE2 2.89Å; I234-E238 HydrophobicContact CD1-CB 4.04Å; I234-E238 HydrophobicContact CG1-CB 3.42Å; I234-E238 VanDerWaalsContact CG1-CB 3.42Å; E235-E238 HydrophobicContact CB-CB 4.34Å; E235-E238 HydrophobicContact CB-CG 4.11Å; E235-E238 HydrophobicContact CG-CG 4.36Å; E235-E238 PolarHBondContact N-OE2 3.03Å; E235-E238 PolarHBondContact O-N 3.06Å; E235-E238 VanDerWaalsContact O-N 3.16Å; E238-S241 VanDerWaalsContact O-CB 3.25Å; E238-S241 WeakPolarHBondContact O-CB 3.05Å; E238-S241 PolarHBondContact O-N 2.89Å |
| 239 | F | 95.4 | Very high | 93 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.009 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.5 | -40.5 | -178.9 | -174.9 | -70.2 | 0 | 0 | 0 | 112.9 | W184 L190 T217 M221 I234 E235 S241 M249 Y252 | W184-F239 HydrophobicContact CB-CE1 3.77Å; W184-F239 HydrophobicContact CB-CZ 4.01Å; W184-F239 HydrophobicContact CE3-CZ 4.09Å; W184-F239 WeakPolarHBondContact O-CE1 3.24Å; L190-F239 HydrophobicContact CB-CE1 4.45Å; L190-F239 HydrophobicContact CB-CZ 3.99Å; L190-F239 HydrophobicContact CD1-CE2 3.99Å; L190-F239 HydrophobicContact CD1-CZ 3.86Å; L190-F239 HydrophobicContact CD2-CD2 4.45Å; L190-F239 HydrophobicContact CD2-CE1 4.2Å; L190-F239 HydrophobicContact CD2-CE2 3.72Å; L190-F239 HydrophobicContact CD2-CZ 3.63Å; L190-F239 HydrophobicContact CG-CE2 4.37Å; L190-F239 HydrophobicContact CG-CZ 4.03Å; T217-F239 HydrophobicContact CG2-CB 4.08Å; T217-F239 HydrophobicContact CG2-CD1 3.56Å; T217-F239 HydrophobicContact CG2-CE1 4.11Å; T217-F239 HydrophobicContact CG2-CG 3.83Å; M221-F239 HydrophobicContact CE-CB 4.34Å; M221-F239 HydrophobicContact CE-CD2 3.82Å; M221-F239 HydrophobicContact CE-CG 4.4Å; M221-F239 HydrophobicContact SD-CB 4.45Å; M221-F239 HydrophobicContact SD-CD2 4.26Å; M221-F239 HydrophobicContact SD-CG 4.45Å; I234-F239 HydrophobicContact CD1-CB 4.46Å; I234-F239 HydrophobicContact CG2-CB 4.31Å; I234-F239 HydrophobicContact CG2-CD2 3.9Å; E235-F239 VanDerWaalsContact O-CB 3.28Å; E235-F239 WeakPolarHBondContact O-CB 3.45Å; E235-F239 PolarHBondContact O-N 2.69Å; F239-S241 VanDerWaalsContact C-N 3.33Å; F239-M249 HydrophobicContact CD2-CE 3.57Å; F239-M249 HydrophobicContact CD2-SD 4.17Å; F239-M249 HydrophobicContact CE2-CE 3.45Å; F239-M249 VanDerWaalsContact CE2-CE 3.45Å; F239-M249 HydrophobicContact CE2-SD 4.1Å; F239-M249 HydrophobicContact CG-CE 4.36Å; F239-M249 HydrophobicContact CG-SD 4.44Å; F239-M249 HydrophobicContact CZ-CE 4.14Å; F239-M249 HydrophobicContact CZ-SD 4.28Å; F239-Y252 HydrophobicContact CD2-CD1 4.01Å; F239-Y252 HydrophobicContact CD2-CE1 4.06Å; F239-Y252 AromaticContact CE2-CD1 3.74Å; F239-Y252 HydrophobicContact CE2-CD1 3.74Å; F239-Y252 AromaticContact CE2-CE1 3.71Å; F239-Y252 HydrophobicContact CE2-CE1 3.71Å |
| 240 | I | 93.4 | Very high | 93.3 | Very high | 43 Ų | 43 | 34.8 Ų | 34.8 | 22% | 0.221 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -2 | 177.6 | 70.5 | 176.7 | 0 | 0 | 0 | 113.4 | S185 A213 L214 T217 P236 | S185-I240 WeakPolarHBondContact O-CG2 3.36Å; A213-I240 HydrophobicContact CB-CD1 4.48Å; L214-I240 HydrophobicContact CB-CD1 3.71Å; L214-I240 HydrophobicContact CD1-CD1 3.86Å; L214-I240 HydrophobicContact CG-CD1 4.34Å; T217-I240 HydrophobicContact CG2-CG2 4.05Å; T217-I240 VanDerWaalsContact OG1-CG2 3.27Å; T217-I240 WeakPolarHBondContact OG1-CG2 3.26Å; P236-I240 WeakPolarHBondContact O-CG1 3.39Å; P236-I240 PolarHBondContact O-N 2.67Å |
| 241 | S | 90.9 | Very high | 93.3 | Very high | 26 Ų | 26 | 34.7 Ų | 34.7 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | trans | -64.1 | 137.3 | -176.1 | -176.6 | 0 | 0 | 0 | 0 | 111.8 | E237 E238 F239 D243 V244 | E237-S241 PolarHBondContact O-N 2.8Å; E238-S241 VanDerWaalsContact O-CB 3.25Å; E238-S241 WeakPolarHBondContact O-CB 3.05Å; E238-S241 PolarHBondContact O-N 2.89Å; F239-S241 VanDerWaalsContact C-N 3.33Å; S241-D243 PolarHBondContact O-N 2.75Å; S241-D243 PolarHBondContact OG-N 2.79Å; S241-V244 VanDerWaalsContact O-CG1 3.31Å; S241-V244 WeakPolarHBondContact O-CG1 3.48Å; S241-V244 PolarHBondContact O-N 2.86Å | ||
| 242 | P | 85.3 | Confident | 93.6 | Very high | 128 Ų | 128 | 33.5 Ų | 33.5 | 83% | 0.831 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -17 | 170.6 | 29.5 | -36.1 | 0 | 0 | 0 | 112.8 | ||
| 243 | D | 87.5 | Confident | 93.7 | Very high | 89 Ų | 89 | 31.6 Ų | 31.6 | 48% | 0.476 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 6.9 | 176.9 | -67.7 | -44.8 | 0 | 0 | 0 | 113.7 | W27 I30 S241 | W27-D243 WeakPolarHBondContact CA-O 3.26Å; W27-D243 WeakPolarHBondContact CB-O 3.17Å; W27-D243 PolarHBondContact N-O 3.23Å; I30-D243 HydrophobicContact CD1-CB 4.27Å; S241-D243 PolarHBondContact O-N 2.75Å; S241-D243 PolarHBondContact OG-N 2.79Å |
| 244 | V | 91.8 | Very high | 93.5 | Very high | 14 Ų | 14 | 31.5 Ų | 31.5 | 9% | 0.085 | 17% | 0.169 | C | C | . | . | trans | -72 | 131.2 | 179.1 | 73.9 | 0 | 0 | 0 | 0 | 111.9 | I30 T181 I234 S241 M249 | I30-V244 HydrophobicContact CG2-CG2 4.19Å; T181-V244 HydrophobicContact CG2-CG1 4.17Å; T181-V244 VanDerWaalsContact CG2-O 3.28Å; T181-V244 WeakPolarHBondContact CG2-O 3.42Å; I234-V244 HydrophobicContact CD1-CG2 3.79Å; S241-V244 VanDerWaalsContact O-CG1 3.31Å; S241-V244 WeakPolarHBondContact O-CG1 3.48Å; S241-V244 PolarHBondContact O-N 2.86Å; V244-M249 HydrophobicContact CG1-CG 4.24Å; V244-M249 HydrophobicContact CG2-CG 3.48Å; V244-M249 VanDerWaalsContact CG2-CG 3.48Å; V244-M249 HydrophobicContact CG2-SD 4.42Å | ||
| 245 | D | 92.1 | Very high | 93.4 | Very high | 21 Ų | 21 | 33.1 Ų | 33.1 | 11% | 0.112 | 18% | 0.176 | C | C | . | . | trans | -91.3 | 160.3 | 175.1 | 68.6 | -70.6 | 0 | 0 | 0 | 113.5 | W27 Q31 L247 S248 M249 | W27-D245 HydrophobicContact CB-CB 4.12Å; W27-D245 HydrophobicContact CE3-CB 4.41Å; Q31-D245 PolarHBondContact NE2-OD2 2.91Å; D245-L247 VanDerWaalsContact C-N 3.28Å; D245-L247 PolarHBondContact O-N 3.38Å; D245-L247 WeakPolarHBondContact OD2-CA 3.45Å; D245-L247 WeakPolarHBondContact OD2-CB 3.38Å; D245-L247 PolarHBondContact OD2-N 2.8Å; D245-S248 VanDerWaalsContact OD1-CB 3.25Å; D245-S248 WeakPolarHBondContact OD1-CB 3.15Å; D245-S248 PolarHBondContact OD1-OG 2.92Å; D245-S248 PolarHBondContact OD2-N 2.97Å; D245-S248 PolarHBondContact OD2-OG 2.82Å; D245-M249 PolarHBondContact O-N 2.8Å; D245-M249 VanDerWaalsContact O-N 3.14Å | ||
| 246 | E | 93.1 | Very high | 93.4 | Very high | 68 Ų | 68 | 29.9 Ų | 29.9 | 32% | 0.318 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63.2 | -28.3 | 178 | -63.6 | -165.1 | 120.6 | 0 | 0 | 113.7 | K161 F180 T181 M249 M250 | K161-E246 WeakPolarHBondContact CE-OE1 3.46Å; K161-E246 IonicContact NZ-OE1 3.2Å; K161-E246 PolarHBondContact NZ-OE1 2.86Å; K161-E246 IonicContact NZ-OE2 3.96Å; K161-E246 PolarHBondContact NZ-OE2 3.27Å; F180-E246 HydrophobicContact CB-CB 4.21Å; F180-E246 HydrophobicContact CB-CG 4.16Å; T181-E246 HydrophobicContact CG2-CG 4.09Å; E246-M249 PolarHBondContact O-N 2.95Å; E246-M250 VanDerWaalsContact O-CB 3.24Å; E246-M250 WeakPolarHBondContact O-CB 3.48Å; E246-M250 WeakPolarHBondContact O-CG 2.96Å; E246-M250 PolarHBondContact O-N 2.82Å |
| 247 | L | 94.8 | Very high | 93.1 | Very high | 53 Ų | 53 | 29.8 Ų | 29.8 | 28% | 0.277 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -76.8 | -44.4 | -175.5 | -42.7 | -170.9 | 0 | 0 | 0 | 110.1 | F35 W128 D245 M249 M250 T251 | F35-L247 HydrophobicContact CZ-CB 4.13Å; W128-L247 HydrophobicContact CD2-CB 4.12Å; W128-L247 HydrophobicContact CD2-CD1 4.08Å; W128-L247 HydrophobicContact CD2-CD2 4.38Å; W128-L247 HydrophobicContact CD2-CG 4.42Å; W128-L247 HydrophobicContact CE3-CB 3.84Å; W128-L247 HydrophobicContact CG-CD1 4.09Å; W128-L247 HydrophobicContact CH2-CB 4.21Å; W128-L247 HydrophobicContact CH2-CD2 4.09Å; W128-L247 HydrophobicContact CZ2-CB 4.48Å; W128-L247 HydrophobicContact CZ2-CD2 3.71Å; W128-L247 HydrophobicContact CZ3-CB 3.89Å; D245-L247 VanDerWaalsContact C-N 3.28Å; D245-L247 PolarHBondContact O-N 3.38Å; D245-L247 WeakPolarHBondContact OD2-CA 3.45Å; D245-L247 WeakPolarHBondContact OD2-CB 3.38Å; D245-L247 PolarHBondContact OD2-N 2.8Å; L247-M249 VanDerWaalsContact C-N 3.3Å; L247-M249 PolarHBondContact O-N 2.72Å; L247-M250 PolarHBondContact O-N 2.8Å; L247-T251 WeakPolarHBondContact O-CB 3.47Å; L247-T251 PolarHBondContact O-N 2.82Å; L247-T251 PolarHBondContact O-OG1 3.1Å |
| 248 | S | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -54 | -47.4 | 168.4 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | Q31 D245 T251 Y252 | Q31-S248 WeakPolarHBondContact CA-OG 3.45Å; Q31-S248 WeakPolarHBondContact CB-OG 3.3Å; Q31-S248 PolarHBondContact N-OG 2.93Å; D245-S248 VanDerWaalsContact OD1-CB 3.25Å; D245-S248 WeakPolarHBondContact OD1-CB 3.15Å; D245-S248 PolarHBondContact OD1-OG 2.92Å; D245-S248 PolarHBondContact OD2-N 2.97Å; D245-S248 PolarHBondContact OD2-OG 2.82Å; S248-T251 WeakPolarHBondContact O-CB 3.36Å; S248-T251 PolarHBondContact O-N 3.5Å; S248-Y252 PolarHBondContact O-N 2.91Å; S248-Y252 VanDerWaalsContact O-N 3.08Å |
| 249 | M | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -71.4 | -40.2 | -177.6 | -82.7 | -91.3 | 60.8 | 0 | 0 | 113.8 | F180 W184 I234 F239 V244 D245 E246 L247 T251 Y252 L253 | F180-M249 HydrophobicContact CB-CB 4.2Å; F180-M249 WeakPolarHBondContact O-CB 3.43Å; F180-M249 WeakPolarHBondContact O-CG 3.42Å; W184-M249 HydrophobicContact CB-SD 4.46Å; I234-M249 HydrophobicContact CG2-CE 4.49Å; F239-M249 HydrophobicContact CD2-CE 3.57Å; F239-M249 HydrophobicContact CD2-SD 4.17Å; F239-M249 HydrophobicContact CE2-CE 3.45Å; F239-M249 VanDerWaalsContact CE2-CE 3.45Å; F239-M249 HydrophobicContact CE2-SD 4.1Å; F239-M249 HydrophobicContact CG-CE 4.36Å; F239-M249 HydrophobicContact CG-SD 4.44Å; F239-M249 HydrophobicContact CZ-CE 4.14Å; F239-M249 HydrophobicContact CZ-SD 4.28Å; V244-M249 HydrophobicContact CG1-CG 4.24Å; V244-M249 HydrophobicContact CG2-CG 3.48Å; V244-M249 VanDerWaalsContact CG2-CG 3.48Å; V244-M249 HydrophobicContact CG2-SD 4.42Å; D245-M249 PolarHBondContact O-N 2.8Å; D245-M249 VanDerWaalsContact O-N 3.14Å; E246-M249 PolarHBondContact O-N 2.95Å; L247-M249 VanDerWaalsContact C-N 3.3Å; L247-M249 PolarHBondContact O-N 2.72Å; M249-T251 VanDerWaalsContact C-N 3.26Å; M249-T251 PolarHBondContact O-N 3.36Å; M249-Y252 HydrophobicContact CE-CD1 3.96Å; M249-Y252 HydrophobicContact CE-CG 4.46Å; M249-Y252 PolarHBondContact O-N 3.5Å; M249-L253 HydrophobicContact CE-CD1 4.26Å; M249-L253 HydrophobicContact CE-CG 4.12Å; M249-L253 VanDerWaalsContact O-CB 3.3Å; M249-L253 WeakPolarHBondContact O-CB 3.46Å; M249-L253 VanDerWaalsContact O-CG 3.31Å; M249-L253 WeakPolarHBondContact O-CG 3.14Å; M249-L253 PolarHBondContact O-N 2.99Å |
| 250 | M | 94.8 | Very high | 91.7 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.02 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.1 | -37.6 | 170.3 | -75.7 | -179.8 | 62.9 | 0 | 0 | 111.4 | W128 I136 K161 L164 F180 E246 L247 S254 | W128-M250 HydrophobicContact CH2-CB 3.92Å; W128-M250 HydrophobicContact CH2-CE 3.93Å; W128-M250 HydrophobicContact CH2-SD 4.08Å; W128-M250 HydrophobicContact CZ2-CE 4.36Å; W128-M250 HydrophobicContact CZ3-CB 4.32Å; I136-M250 HydrophobicContact CD1-CB 4.2Å; I136-M250 HydrophobicContact CD1-CE 3.71Å; K161-M250 HydrophobicContact CB-CE 3.81Å; K161-M250 HydrophobicContact CB-SD 4.17Å; K161-M250 HydrophobicContact CD-SD 4.22Å; K161-M250 HydrophobicContact CG-CE 4.08Å; K161-M250 HydrophobicContact CG-SD 3.83Å; L164-M250 HydrophobicContact CD2-CB 4.05Å; L164-M250 HydrophobicContact CD2-CE 4.33Å; L164-M250 HydrophobicContact CD2-CG 4.05Å; F180-M250 HydrophobicContact CB-CG 4.47Å; F180-M250 HydrophobicContact CD1-CG 3.6Å; F180-M250 HydrophobicContact CD2-CG 4.04Å; F180-M250 HydrophobicContact CD2-SD 4.33Å; F180-M250 HydrophobicContact CE1-CG 3.71Å; F180-M250 HydrophobicContact CE2-CG 4.14Å; F180-M250 HydrophobicContact CE2-SD 4.24Å; F180-M250 HydrophobicContact CG-CG 3.77Å; F180-M250 HydrophobicContact CZ-CG 3.98Å; F180-M250 HydrophobicContact CZ-SD 4.43Å; E246-M250 VanDerWaalsContact O-CB 3.24Å; E246-M250 WeakPolarHBondContact O-CB 3.48Å; E246-M250 WeakPolarHBondContact O-CG 2.96Å; E246-M250 PolarHBondContact O-N 2.82Å; L247-M250 PolarHBondContact O-N 2.8Å; M250-S254 WeakPolarHBondContact O-CB 3.33Å; M250-S254 PolarHBondContact O-N 3.08Å; M250-S254 PolarHBondContact O-OG 3.21Å |
| 251 | T | 96 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.8 | -55.5 | 176.2 | -55.4 | 0 | 0 | 0 | 0 | 110.9 | T34 F35 W38 I131 L233 L247 S248 M249 S254 | T34-T251 HydrophobicContact CG2-CG2 4.03Å; F35-T251 WeakPolarHBondContact CE1-OG1 3.31Å; W38-T251 HydrophobicContact CB-CG2 4.21Å; W38-T251 HydrophobicContact CG-CG2 4.14Å; I131-T251 HydrophobicContact CD1-CG2 3.84Å; I131-T251 HydrophobicContact CG1-CG2 4.25Å; I131-T251 HydrophobicContact CG2-CG2 3.98Å; L233-T251 HydrophobicContact CD1-CG2 4.37Å; L247-T251 WeakPolarHBondContact O-CB 3.47Å; L247-T251 PolarHBondContact O-N 2.82Å; L247-T251 PolarHBondContact O-OG1 3.1Å; S248-T251 WeakPolarHBondContact O-CB 3.36Å; S248-T251 PolarHBondContact O-N 3.5Å; M249-T251 VanDerWaalsContact C-N 3.26Å; M249-T251 PolarHBondContact O-N 3.36Å; T251-S254 PolarHBondContact O-N 3.16Å; T251-S254 PolarHBondContact O-OG 2.78Å |
| 252 | Y | 96.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.1 | -43.5 | -179.9 | -179.9 | -107.9 | 0 | 0 | 0 | 112.9 | L190 M221 V230 P231 L233 I234 F239 S248 M249 S254 Q255 Y256 | L190-Y252 HydrophobicContact CD1-CE1 4.3Å; M221-Y252 HydrophobicContact CE-CE1 3.88Å; M221-Y252 HydrophobicContact CE-CE2 4.07Å; V230-Y252 HydrophobicContact CG1-CE2 4.16Å; P231-Y252 WeakPolarHBondContact O-CE2 3.16Å; L233-Y252 HydrophobicContact CB-CD2 4.17Å; I234-Y252 HydrophobicContact CG2-CD1 3.92Å; I234-Y252 HydrophobicContact CG2-CD2 3.82Å; I234-Y252 HydrophobicContact CG2-CE1 4.49Å; I234-Y252 HydrophobicContact CG2-CE2 4.43Å; I234-Y252 HydrophobicContact CG2-CG 3.53Å; F239-Y252 HydrophobicContact CD2-CD1 4.01Å; F239-Y252 HydrophobicContact CD2-CE1 4.06Å; F239-Y252 AromaticContact CE2-CD1 3.74Å; F239-Y252 HydrophobicContact CE2-CD1 3.74Å; F239-Y252 AromaticContact CE2-CE1 3.71Å; F239-Y252 HydrophobicContact CE2-CE1 3.71Å; S248-Y252 PolarHBondContact O-N 2.91Å; S248-Y252 VanDerWaalsContact O-N 3.08Å; M249-Y252 HydrophobicContact CE-CD1 3.96Å; M249-Y252 HydrophobicContact CE-CG 4.46Å; M249-Y252 PolarHBondContact O-N 3.5Å; Y252-S254 VanDerWaalsContact C-N 3.32Å; Y252-S254 PolarHBondContact O-N 3.03Å; Y252-Q255 VanDerWaalsContact CD2-NE2 3.26Å; Y252-Q255 WeakPolarHBondContact O-CB 3.38Å; Y252-Q255 WeakPolarHBondContact O-CG 3.37Å; Y252-Q255 PolarHBondContact O-N 2.88Å; Y252-Q255 PolarHBondContact O-NE2 2.89Å; Y252-Y256 HydrophobicContact CD1-CE2 4.23Å; Y252-Y256 AromaticContact CE1-CE2 3.69Å; Y252-Y256 HydrophobicContact CE1-CE2 3.69Å; Y252-Y256 PolarHBondContact OH-OH 3.19Å; Y252-Y256 VanDerWaalsContact OH-OH 3.04Å |
| 253 | L | 95.8 | Very high | 91 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.2 | -26 | -178.1 | -68.8 | 168 | 0 | 0 | 0 | 113 | L168 F180 W184 L190 L193 M249 Q255 Y256 | L168-L253 HydrophobicContact CD1-CD1 4.39Å; F180-L253 HydrophobicContact CD1-CD1 4.04Å; W184-L253 HydrophobicContact CD2-CD1 4.09Å; W184-L253 HydrophobicContact CE3-CD1 4.41Å; W184-L253 HydrophobicContact CE3-CD2 4.08Å; W184-L253 HydrophobicContact CH2-CD1 4.17Å; W184-L253 HydrophobicContact CH2-CD2 3.84Å; W184-L253 HydrophobicContact CZ2-CD1 3.81Å; W184-L253 HydrophobicContact CZ2-CD2 4.34Å; W184-L253 HydrophobicContact CZ3-CD1 4.45Å; W184-L253 HydrophobicContact CZ3-CD2 3.68Å; L190-L253 HydrophobicContact CD1-CD2 4.3Å; L193-L253 HydrophobicContact CD2-CD2 4.02Å; M249-L253 HydrophobicContact CE-CD1 4.26Å; M249-L253 HydrophobicContact CE-CG 4.12Å; M249-L253 VanDerWaalsContact O-CB 3.3Å; M249-L253 WeakPolarHBondContact O-CB 3.46Å; M249-L253 VanDerWaalsContact O-CG 3.31Å; M249-L253 WeakPolarHBondContact O-CG 3.14Å; M249-L253 PolarHBondContact O-N 2.99Å; L253-Q255 PolarHBondContact O-N 2.84Å; L253-Q255 VanDerWaalsContact O-N 3.15Å; L253-Y256 HydrophobicContact CD2-CD2 4.33Å; L253-Y256 HydrophobicContact CD2-CE2 4.31Å; L253-Y256 PolarHBondContact O-N 2.85Å |
| 254 | S | 93.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -8 | 175.7 | 72.1 | 0 | 0 | 0 | 0 | 115.2 | S135 M250 T251 Y252 P257 | S135-S254 WeakPolarHBondContact CB-OG 3.26Å; M250-S254 WeakPolarHBondContact O-CB 3.33Å; M250-S254 PolarHBondContact O-N 3.08Å; M250-S254 PolarHBondContact O-OG 3.21Å; T251-S254 PolarHBondContact O-N 3.16Å; T251-S254 PolarHBondContact O-OG 2.78Å; Y252-S254 VanDerWaalsContact C-N 3.32Å; Y252-S254 PolarHBondContact O-N 3.03Å; S254-P257 WeakPolarHBondContact O-CD 3.33Å |
| 255 | Q | 93.7 | Very high | 90 | Very high | 34 Ų | 34 | 39.4 Ų | 39.4 | 16% | 0.159 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -33.2 | 174.2 | -58.8 | -173 | 103.2 | 0 | 0 | 112.9 | V230 P231 L233 Y252 L253 P257 H258 A259 | V230-Q255 HydrophobicContact CG1-CB 3.88Å; P231-Q255 PolarHBondContact O-NE2 2.81Å; L233-Q255 VanDerWaalsContact CD1-CD 3.41Å; L233-Q255 HydrophobicContact CD1-CG 4.07Å; Y252-Q255 VanDerWaalsContact CD2-NE2 3.26Å; Y252-Q255 WeakPolarHBondContact O-CB 3.38Å; Y252-Q255 WeakPolarHBondContact O-CG 3.37Å; Y252-Q255 PolarHBondContact O-N 2.88Å; Y252-Q255 PolarHBondContact O-NE2 2.89Å; L253-Q255 PolarHBondContact O-N 2.84Å; L253-Q255 VanDerWaalsContact O-N 3.15Å; Q255-P257 VanDerWaalsContact C-CD 3.47Å; Q255-H258 PolarHBondContact O-N 3.27Å; Q255-A259 PolarHBondContact O-N 3.32Å |
| 256 | Y | 94 | Very high | 89.4 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -61.8 | -31.9 | -173.6 | -75.4 | -86.5 | 0 | 0 | 0 | 115.3 | L190 L193 V194 I197 A224 V230 Y252 L253 H258 A259 | L190-Y256 HydrophobicContact CD1-CE2 4.15Å; L193-Y256 HydrophobicContact CD2-CD1 4.06Å; L193-Y256 HydrophobicContact CD2-CD2 3.94Å; L193-Y256 HydrophobicContact CD2-CE1 4.44Å; L193-Y256 HydrophobicContact CD2-CE2 4.33Å; L193-Y256 HydrophobicContact CD2-CG 3.77Å; L193-Y256 HydrophobicContact CG-CD1 4.17Å; L193-Y256 HydrophobicContact CG-CG 4.3Å; V194-Y256 HydrophobicContact CG2-CE1 4.05Å; I197-Y256 HydrophobicContact CD1-CD1 3.59Å; I197-Y256 HydrophobicContact CD1-CG 4.14Å; A224-Y256 HydrophobicContact CB-CE1 3.95Å; A224-Y256 WeakPolarHBondContact CB-OH 3.46Å; V230-Y256 HydrophobicContact CB-CE1 4.43Å; V230-Y256 HydrophobicContact CG1-CD2 4.22Å; V230-Y256 HydrophobicContact CG1-CE1 4.2Å; V230-Y256 HydrophobicContact CG1-CE2 3.8Å; V230-Y256 HydrophobicContact CG2-CD1 4.03Å; V230-Y256 HydrophobicContact CG2-CE1 4.12Å; V230-Y256 HydrophobicContact CG2-CG 4.38Å; Y252-Y256 HydrophobicContact CD1-CE2 4.23Å; Y252-Y256 AromaticContact CE1-CE2 3.69Å; Y252-Y256 HydrophobicContact CE1-CE2 3.69Å; Y252-Y256 PolarHBondContact OH-OH 3.19Å; Y252-Y256 VanDerWaalsContact OH-OH 3.04Å; L253-Y256 HydrophobicContact CD2-CD2 4.33Å; L253-Y256 HydrophobicContact CD2-CE2 4.31Å; L253-Y256 PolarHBondContact O-N 2.85Å; Y256-H258 PolarHBondContact O-N 2.75Å; Y256-H258 VanDerWaalsContact O-N 3.09Å; Y256-A259 WeakPolarHBondContact O-CB 3.44Å; Y256-A259 PolarHBondContact O-N 2.98Å; Y256-A259 VanDerWaalsContact O-N 3.08Å |
| 257 | P | 88.9 | Confident | 88.4 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.032 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -62.3 | -8.7 | 169.7 | -22.8 | 31.7 | 0 | 0 | 0 | 116.2 | W141 W167 S254 Q255 | W141-P257 HydrophobicContact CB-CB 3.83Å; W141-P257 HydrophobicContact CD2-CB 3.49Å; W141-P257 VanDerWaalsContact CD2-CB 3.49Å; W141-P257 HydrophobicContact CD2-CG 3.74Å; W141-P257 HydrophobicContact CE3-CB 4.22Å; W141-P257 HydrophobicContact CE3-CG 4.15Å; W141-P257 HydrophobicContact CG-CB 3.29Å; W141-P257 HydrophobicContact CG-CG 4.11Å; W141-P257 HydrophobicContact CH2-CG 4.37Å; W141-P257 HydrophobicContact CZ2-CB 4.46Å; W141-P257 HydrophobicContact CZ2-CG 3.95Å; W141-P257 HydrophobicContact CZ3-CG 4.46Å; W167-P257 HydrophobicContact CD2-CB 4.35Å; W167-P257 HydrophobicContact CD2-CG 3.81Å; W167-P257 HydrophobicContact CE3-CG 3.72Å; W167-P257 HydrophobicContact CH2-CB 4.25Å; W167-P257 HydrophobicContact CH2-CG 3.82Å; W167-P257 VanDerWaalsContact CZ2-CA 3.47Å; W167-P257 HydrophobicContact CZ2-CB 3.91Å; W167-P257 HydrophobicContact CZ2-CG 3.9Å; W167-P257 HydrophobicContact CZ3-CG 3.73Å; S254-P257 WeakPolarHBondContact O-CD 3.33Å; Q255-P257 VanDerWaalsContact C-CD 3.47Å |
| 258 | H | 83.5 | Confident | 87.1 | Confident | 83 Ų | 83 | 44.2 Ų | 44.2 | 38% | 0.384 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -118.1 | 6.1 | 174.4 | -64.4 | -46.7 | 0 | 0 | 0 | 113.6 | P139 I140 W141 Q255 Y256 | P139-H258 WeakPolarHBondContact CB-NE2 3.33Å; I140-H258 PolarHBondContact O-CE1 2.98Å; W141-H258 AromaticContact CD1-CE1 3.57Å; W141-H258 AromaticContact CD1-NE2 3.6Å; W141-H258 AromaticContact NE1-NE2 3.82Å; Q255-H258 PolarHBondContact O-N 3.27Å; Y256-H258 PolarHBondContact O-N 2.75Å; Y256-H258 VanDerWaalsContact O-N 3.09Å |
| 259 | A | 86.6 | Confident | 85 | Confident | 10 Ų | 10 | 49.3 Ų | 49.3 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | trans | -56.4 | 136.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I197 L228 V230 Q255 Y256 | I197-A259 HydrophobicContact CG2-CB 3.84Å; L228-A259 HydrophobicContact CB-CB 4.09Å; L228-A259 CarbonylContact O-C 3.48Å; L228-A259 WeakPolarHBondContact O-CA 3.42Å; V230-A259 HydrophobicContact CG2-CB 3.81Å; Q255-A259 PolarHBondContact O-N 3.32Å; Y256-A259 WeakPolarHBondContact O-CB 3.44Å; Y256-A259 PolarHBondContact O-N 2.98Å; Y256-A259 VanDerWaalsContact O-N 3.08Å | ||
| 260 | K | 81.3 | Confident | 82.6 | Confident | 125 Ų | 125 | 53 Ų | 53 | 54% | 0.543 | 30% | 0.302 | S | S | . | . | trans | -134.6 | 126.2 | 179.7 | -73.2 | 176.7 | -175.9 | 173.7 | 0 | 111 | L228 T229 R262 | L228-K260 CarbonylContact C-O 3.18Å; L228-K260 VanDerWaalsContact C-O 3.27Å; L228-K260 WeakPolarHBondContact CA-O 3.38Å; L228-K260 PolarHBondContact O-N 2.85Å; T229-K260 PolarHBondContact OG1-N 3.27Å; K260-R262 PolarHBondContact O-N 2.92Å | ||
| 261 | L | 85.9 | Confident | 80.3 | Confident | 80 Ų | 80 | 58.1 Ų | 58.1 | 42% | 0.419 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 116.7 | 178.8 | -169.7 | 65.6 | 0 | 0 | 0 | 110.8 | A198 W227 L228 A265 L267 | A198-L261 HydrophobicContact CB-CD1 3.82Å; W227-L261 HydrophobicContact CB-CD1 4.34Å; W227-L261 CarbonylContact O-C 3.4Å; W227-L261 VanDerWaalsContact O-CA 3.26Å; W227-L261 WeakPolarHBondContact O-CA 3.49Å; L228-L261 HydrophobicContact CD2-CD1 4.09Å; L261-A265 HydrophobicContact CD1-CB 3.47Å; L261-A265 VanDerWaalsContact CD1-CB 3.47Å; L261-A265 HydrophobicContact CD2-CB 4.47Å; L261-A265 HydrophobicContact CG-CB 4.04Å; L261-L267 HydrophobicContact CD1-CD2 4.32Å; L261-L267 HydrophobicContact CD2-CD1 3.86Å; L261-L267 HydrophobicContact CD2-CD2 4.29Å; L261-L267 HydrophobicContact CD2-CG 4.33Å |
| 262 | R | 87.9 | Confident | 77.8 | Confident | 118 Ų | 118 | 63.9 Ų | 63.9 | 45% | 0.445 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 140.2 | 173.1 | -57.4 | -163.6 | -152.8 | -129.2 | 6.2 | 109.9 | E225 Q226 W227 T229 K260 A265 | E225-R262 PolarHBondContact O-NH2 3.27Å; Q226-R262 WeakPolarHBondContact O-CD 3.29Å; Q226-R262 PolarHBondContact O-NE 3.01Å; W227-R262 HydrophobicContact CE3-CB 4.17Å; W227-R262 PolarHBondContact O-N 3.29Å; T229-R262 HydrophobicContact CG2-CG 3.83Å; K260-R262 PolarHBondContact O-N 2.92Å; R262-A265 PolarHBondContact O-N 3.25Å |
| 263 | P | 80.9 | Confident | 75.4 | Confident | 130 Ų | 130 | 68 Ų | 68 | 84% | 0.844 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 140 | 175.4 | -25.8 | 34.8 | 0 | 0 | 0 | 112.5 | ||
| 264 | G | 79.4 | Confident | 73.4 | Confident | 74 Ų | 74 | 68 Ų | 68 | 76% | 0.763 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | 8.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 265 | A | 78.8 | Confident | 71.7 | Confident | 18 Ų | 18 | 69.6 Ų | 69.6 | 15% | 0.149 | 39% | 0.39 | C | S | . | . | trans | -55.2 | 139.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L201 W227 L261 R262 L267 | L201-A265 HydrophobicContact CD1-CB 4.44Å; W227-A265 HydrophobicContact CB-CB 4.05Å; W227-A265 HydrophobicContact CD2-CB 3.79Å; W227-A265 HydrophobicContact CE3-CB 3.55Å; W227-A265 HydrophobicContact CG-CB 4.01Å; W227-A265 HydrophobicContact CZ3-CB 4.28Å; L261-A265 HydrophobicContact CD1-CB 3.47Å; L261-A265 VanDerWaalsContact CD1-CB 3.47Å; L261-A265 HydrophobicContact CD2-CB 4.47Å; L261-A265 HydrophobicContact CG-CB 4.04Å; R262-A265 PolarHBondContact O-N 3.25Å; A265-L267 PolarHBondContact O-N 3Å | ||
| 266 | P | 80 | Confident | 70.3 | Confident | 71 Ų | 71 | 69.3 Ų | 69.3 | 46% | 0.461 | 39% | 0.392 | S | S | . | . | trans | -79 | 61.2 | -178.2 | 35.2 | -37.4 | 0 | 0 | 0 | 110.4 | W227 K268 | W227-P266 HydrophobicContact CZ2-CG 4.3Å; P266-K268 PolarHBondContact O-N 2.87Å | ||
| 267 | L | 72.8 | Confident | 69.2 | Low | 75 Ų | 75 | 73.5 Ų | 73.5 | 39% | 0.393 | 42% | 0.421 | S | S | . | . | trans | -62.6 | 99.9 | 169 | -58.9 | -172.4 | 0 | 0 | 0 | 107.9 | A198 L201 L261 A265 | A198-L267 HydrophobicContact CB-CD2 4.11Å; L201-L267 HydrophobicContact CB-CD2 3.8Å; L201-L267 HydrophobicContact CD1-CD2 4.3Å; L261-L267 HydrophobicContact CD1-CD2 4.32Å; L261-L267 HydrophobicContact CD2-CD1 3.86Å; L261-L267 HydrophobicContact CD2-CD2 4.29Å; L261-L267 HydrophobicContact CD2-CG 4.33Å; A265-L267 PolarHBondContact O-N 3Å | ||
| 268 | K | 66.6 | Low | 68.4 | Low | 97 Ų | 97 | 77.5 Ų | 77.5 | 42% | 0.422 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 140.4 | 162.6 | -62.8 | 163.7 | -179.8 | 172.6 | 0 | 106 | G200 P203 E204 P266 | G200-K268 WeakPolarHBondContact CA-O 3.34Å; G200-K268 WeakPolarHBondContact O-CB 3.22Å; G200-K268 PolarHBondContact O-N 2.73Å; P203-K268 HydrophobicContact CG-CB 4.29Å; P203-K268 HydrophobicContact CG-CD 4.09Å; E204-K268 IonicContact OE1-NZ 2.66Å; E204-K268 PolarHBondContact OE1-NZ 2.92Å; E204-K268 IonicContact OE2-NZ 2.65Å; E204-K268 PolarHBondContact OE2-NZ 3.29Å; P266-K268 PolarHBondContact O-N 2.87Å |
| 269 | P | 52.1 | Low | 68 | Low | 106 Ų | 106 | 73.5 Ų | 73.5 | 69% | 0.688 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 140.3 | 162.3 | 26.2 | -33.3 | 0 | 0 | 0 | 107.1 | V271 | P269-V271 PolarHBondContact O-N 3.1Š|
| 270 | P | 44.6 | Very low | 67.8 | Low | 79 Ų | 79 | 77.2 Ų | 77.2 | 51% | 0.513 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -47.3 | 132.5 | 174.3 | -27 | 34.3 | 0 | 0 | 0 | 108.5 | E272 | P270-E272 VanDerWaalsContact C-N 3.28Å; P270-E272 WeakPolarHBondContact O-CA 3.47Å; P270-E272 PolarHBondContact O-N 3.1Å |
| 271 | V | 45.8 | Very low | 68 | Low | 111 Ų | 111 | 71.8 Ų | 71.8 | 67% | 0.673 | 42% | 0.417 | S | S | * | . | trans | -55.2 | 104.4 | 167.9 | 176.9 | 0 | 0 | 0 | 0 | 104.3 | P269 E273 | P269-V271 PolarHBondContact O-N 3.1Å; V271-E273 VanDerWaalsContact C-N 3.28Å; V271-E273 PolarHBondContact O-N 3.03Å | ||
| 272 | E | 44.4 | Very low | 67.9 | Low | 120 Ų | 120 | 73 Ų | 73 | 56% | 0.561 | 42% | 0.417 | S | S | * | . | trans | -66 | 89.4 | -156.2 | -78.8 | -168.4 | 156.4 | 0 | 0 | 109.7 | P270 L274 R305 | P270-E272 VanDerWaalsContact C-N 3.28Å; P270-E272 WeakPolarHBondContact O-CA 3.47Å; P270-E272 PolarHBondContact O-N 3.1Å; E272-L274 PolarHBondContact O-N 2.85Å; E272-R305 WeakPolarHBondContact O-CD 3.26Å; E272-R305 PolarHBondContact O-NH1 2.86Å; E272-R305 IonicContact OE2-CZ 3.05Å; E272-R305 IonicContact OE2-NH1 2.75Å; E272-R305 PolarHBondContact OE2-NH1 2.84Å; E272-R305 IonicContact OE2-NH2 3.6Å; E272-R305 PolarHBondContact OE2-NH2 3.21Å | ||
| 273 | E | 46.2 | Very low | 67.6 | Low | 87 Ų | 87 | 68.9 Ų | 68.9 | 41% | 0.407 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 117.7 | 175.2 | -68.7 | -178.8 | 131.8 | 0 | 0 | 106.7 | K206 V271 S275 N354 | K206-E273 VanDerWaalsContact CD-OE1 3.23Å; K206-E273 WeakPolarHBondContact CD-OE1 3.33Å; K206-E273 IonicContact NZ-OE1 2.66Å; K206-E273 PolarHBondContact NZ-OE1 3.21Å; K206-E273 IonicContact NZ-OE2 2.7Å; K206-E273 PolarHBondContact NZ-OE2 3.17Å; V271-E273 VanDerWaalsContact C-N 3.28Å; V271-E273 PolarHBondContact O-N 3.03Å; E273-S275 PolarHBondContact O-N 2.89Å; E273-N354 PolarHBondContact OE1-ND2 2.83Å; E273-N354 VanDerWaalsContact OE1-ND2 3.14Å |
| 274 | L | 53.3 | Low | 67.5 | Low | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.005 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 117.5 | -175.7 | -157.6 | 78.5 | 0 | 0 | 0 | 106.3 | E272 Q278 V279 Q303 R305 Y353 | E272-L274 PolarHBondContact O-N 2.85Å; L274-Q278 HydrophobicContact CD1-CB 4.08Å; L274-Q278 HydrophobicContact CD2-CB 4.17Å; L274-Q278 HydrophobicContact CG-CB 3.68Å; L274-V279 HydrophobicContact CB-CG2 4.03Å; L274-V279 HydrophobicContact CD2-CB 4.49Å; L274-V279 HydrophobicContact CD2-CG2 3.84Å; L274-V279 HydrophobicContact CG-CG2 4.2Å; L274-Q303 HydrophobicContact CD1-CB 4.09Å; L274-Q303 HydrophobicContact CD1-CG 4.26Å; L274-Q303 HydrophobicContact CD2-CB 3.95Å; L274-Q303 HydrophobicContact CD2-CG 3.68Å; L274-R305 HydrophobicContact CB-CB 4.45Å; L274-Y353 HydrophobicContact CB-CE1 4.39Å; L274-Y353 VanDerWaalsContact O-CD1 3.32Å; L274-Y353 WeakPolarHBondContact O-CD1 3.18Å; L274-Y353 WeakPolarHBondContact O-CE1 3.41Å |
| 275 | S | 59.7 | Low | 67.6 | Low | 34 Ų | 34 | 63.4 Ų | 63.4 | 24% | 0.238 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 146.6 | -170.5 | 76.4 | 0 | 0 | 0 | 0 | 107.8 | E273 S277 Q278 V279 | E273-S275 PolarHBondContact O-N 2.89Å; S275-S277 PolarHBondContact O-N 2.95Å; S275-S277 PolarHBondContact OG-N 3.21Å; S275-S277 PolarHBondContact OG-OG 3.45Å; S275-Q278 CarbonylContact O-C 3.5Å; S275-Q278 WeakPolarHBondContact O-CA 3.44Å; S275-Q278 WeakPolarHBondContact O-CB 3.38Å; S275-Q278 PolarHBondContact O-N 2.76Å; S275-Q278 WeakPolarHBondContact OG-CB 3.26Å; S275-Q278 VanDerWaalsContact OG-CG 3.31Å; S275-Q278 WeakPolarHBondContact OG-CG 3.37Å; S275-Q278 PolarHBondContact OG-N 3.49Å; S275-Q278 PolarHBondContact OG-OE1 3.49Å; S275-V279 WeakPolarHBondContact O-CG2 3.49Å; S275-V279 PolarHBondContact O-N 2.83Å |
| 276 | P | 63.3 | Low | 67.9 | Low | 29 Ų | 29 | 63.6 Ų | 63.6 | 19% | 0.188 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -25.1 | 176.2 | -26.4 | 33.8 | 0 | 0 | 0 | 112 | R356 N357 I358 A359 | P276-R356 HydrophobicContact CB-CB 4.31Å; P276-R356 HydrophobicContact CG-CB 3.63Å; P276-N357 VanDerWaalsContact CB-O 3.22Å; P276-N357 WeakPolarHBondContact CB-O 3.4Å; P276-I358 HydrophobicContact CB-CB 4.5Å; P276-I358 HydrophobicContact CB-CG2 4.27Å; P276-I358 CarbonylContact O-C 3.53Å; P276-I358 VanDerWaalsContact O-C 3.3Å; P276-I358 WeakPolarHBondContact O-CA 3.44Å; P276-I358 VanDerWaalsContact O-CB 3.25Å; P276-I358 WeakPolarHBondContact O-CB 3.45Å; P276-A359 PolarHBondContact O-N 3.11Å |
| 277 | S | 70.4 | Confident | 67.7 | Low | 91 Ų | 91 | 62.7 Ų | 62.7 | 64% | 0.636 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -22.7 | 170.9 | 47.9 | 0 | 0 | 0 | 0 | 116.2 | S275 | S275-S277 PolarHBondContact O-N 2.95Å; S275-S277 PolarHBondContact OG-N 3.21Å; S275-S277 PolarHBondContact OG-OG 3.45Å |
| 278 | Q | 72.8 | Confident | 67.5 | Low | 88 Ų | 88 | 67.2 Ų | 67.2 | 41% | 0.411 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -29.7 | 170.1 | -75.3 | 169.4 | -34.6 | 0 | 0 | 112.3 | L274 S275 L280 Q303 | L274-Q278 HydrophobicContact CD1-CB 4.08Å; L274-Q278 HydrophobicContact CD2-CB 4.17Å; L274-Q278 HydrophobicContact CG-CB 3.68Å; S275-Q278 CarbonylContact O-C 3.5Å; S275-Q278 WeakPolarHBondContact O-CA 3.44Å; S275-Q278 WeakPolarHBondContact O-CB 3.38Å; S275-Q278 PolarHBondContact O-N 2.76Å; S275-Q278 WeakPolarHBondContact OG-CB 3.26Å; S275-Q278 VanDerWaalsContact OG-CG 3.31Å; S275-Q278 WeakPolarHBondContact OG-CG 3.37Å; S275-Q278 PolarHBondContact OG-N 3.49Å; S275-Q278 PolarHBondContact OG-OE1 3.49Å; Q278-L280 PolarHBondContact O-N 2.86Å; Q278-Q303 PolarHBondContact O-NE2 3.39Å |
| 279 | V | 75.6 | Confident | 67.3 | Low | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -64.6 | 112.8 | 173.1 | 177.4 | 0 | 0 | 0 | 0 | 108.9 | L274 S275 V300 D301 V302 Y353 I358 | L274-V279 HydrophobicContact CB-CG2 4.03Å; L274-V279 HydrophobicContact CD2-CB 4.49Å; L274-V279 HydrophobicContact CD2-CG2 3.84Å; L274-V279 HydrophobicContact CG-CG2 4.2Å; S275-V279 WeakPolarHBondContact O-CG2 3.49Å; S275-V279 PolarHBondContact O-N 2.83Å; V279-V300 HydrophobicContact CG1-CG1 3.46Å; V279-V300 VanDerWaalsContact CG1-CG1 3.46Å; V279-D301 WeakPolarHBondContact CA-O 3.34Å; V279-V302 HydrophobicContact CG1-CG1 4.1Å; V279-V302 HydrophobicContact CG2-CG1 4.37Å; V279-Y353 HydrophobicContact CG2-CD1 3.85Å; V279-Y353 HydrophobicContact CG2-CD2 4.08Å; V279-Y353 HydrophobicContact CG2-CE1 4.29Å; V279-Y353 HydrophobicContact CG2-CE2 4.49Å; V279-Y353 HydrophobicContact CG2-CG 3.71Å; V279-I358 HydrophobicContact CB-CB 4.24Å; V279-I358 HydrophobicContact CB-CG2 3.81Å; V279-I358 HydrophobicContact CG1-CB 4.21Å; V279-I358 HydrophobicContact CG1-CD1 4.28Å; V279-I358 HydrophobicContact CG1-CG2 3.6Å |
| 280 | L | 82.5 | Confident | 68.2 | Low | 88 Ų | 88 | 64.5 Ų | 64.5 | 46% | 0.461 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 116.9 | -172.3 | -155.5 | 80.7 | 0 | 0 | 0 | 110.2 | Q278 Y282 D301 | Q278-L280 PolarHBondContact O-N 2.86Å; L280-Y282 HydrophobicContact CB-CD1 4.42Å; L280-Y282 HydrophobicContact CD2-CD1 3.97Å; L280-Y282 HydrophobicContact CD2-CE1 4.47Å; L280-Y282 HydrophobicContact CG-CD1 4.23Å; L280-D301 HydrophobicContact CB-CB 4.4Å; L280-D301 PolarHBondContact N-O 2.99Å; L280-D301 PolarHBondContact O-N 2.99Å |
| 281 | A | 85.7 | Confident | 69.3 | Low | 10 Ų | 10 | 63.8 Ų | 63.8 | 8% | 0.083 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 132.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L286 F298 N299 V300 I358 F363 | A281-L286 HydrophobicContact CB-CD1 3.81Å; A281-F298 HydrophobicContact CB-CD2 4.22Å; A281-N299 WeakPolarHBondContact CA-O 3.22Å; A281-V300 HydrophobicContact CB-CG2 4.19Å; A281-I358 HydrophobicContact CB-CD1 3.29Å; A281-F363 HydrophobicContact CB-CE2 4.04Å; A281-F363 HydrophobicContact CB-CZ 3.87Å |
| 282 | Y | 82.4 | Confident | 70.6 | Confident | 107 Ų | 107 | 61.9 Ų | 61.9 | 42% | 0.42 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 142.3 | -173.9 | 61.3 | -80.1 | 0 | 0 | 0 | 110.9 | L280 F298 N299 D301 | L280-Y282 HydrophobicContact CB-CD1 4.42Å; L280-Y282 HydrophobicContact CD2-CD1 3.97Å; L280-Y282 HydrophobicContact CD2-CE1 4.47Å; L280-Y282 HydrophobicContact CG-CD1 4.23Å; Y282-F298 WeakPolarHBondContact O-CA 3.5Å; Y282-F298 WeakPolarHBondContact O-CB 3.34Å; Y282-N299 HydrophobicContact CE1-CB 4.14Å; Y282-N299 HydrophobicContact CE2-CB 4.39Å; Y282-N299 PolarHBondContact N-O 2.6Å; Y282-N299 VanDerWaalsContact N-O 3.16Å; Y282-N299 PolarHBondContact O-N 2.8Å; Y282-D301 HydrophobicContact CE1-CB 4.15Å |
| 283 | G | 81.7 | Confident | 71.8 | Confident | 31 Ų | 31 | 62.9 Ų | 62.9 | 32% | 0.32 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 151 | 166.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G285 L286 G297 | G283-G285 PolarHBondContact O-N 2.97Å; G283-L286 PolarHBondContact O-N 2.81Å; G283-G297 CarbonylContact C-O 3.46Å |
| 284 | P | 79.2 | Confident | 72.9 | Confident | 88 Ų | 88 | 64.2 Ų | 64.2 | 57% | 0.571 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -58.4 | -31.4 | -175.8 | 21.8 | -33.6 | 0 | 0 | 0 | 113.5 | L286 S287 G297 | P284-L286 PolarHBondContact O-N 3.16Å; P284-S287 PolarHBondContact O-N 2.67Å; P284-S287 PolarHBondContact O-OG 3.19Å; P284-G297 VanDerWaalsContact CD-O 3.23Å; P284-G297 WeakPolarHBondContact CD-O 2.95Å |
| 285 | G | 82.5 | Confident | 74.3 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -69.8 | 6.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | G283 G297 Y339 | G283-G285 PolarHBondContact O-N 2.97Å; G285-G297 PolarHBondContact N-O 3.19Å; G285-G297 VanDerWaalsContact N-O 3.1Å; G285-Y339 WeakPolarHBondContact O-CE1 3.36Å; G285-Y339 PolarHBondContact O-OH 3.34Å |
| 286 | L | 83.8 | Confident | 75.3 | Confident | 22 Ų | 22 | 68.7 Ų | 68.7 | 12% | 0.115 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -123 | 16.1 | -179.4 | -55 | 176.8 | 0 | 0 | 0 | 112.4 | A281 G283 P284 F298 V349 F363 | A281-L286 HydrophobicContact CB-CD1 3.81Å; G283-L286 PolarHBondContact O-N 2.81Å; P284-L286 PolarHBondContact O-N 3.16Å; L286-F298 HydrophobicContact CD1-CB 3.71Å; L286-F298 HydrophobicContact CD1-CD1 4.33Å; L286-F298 HydrophobicContact CD1-CD2 3.89Å; L286-F298 HydrophobicContact CD1-CG 3.74Å; L286-F298 HydrophobicContact CD2-CD1 3.72Å; L286-F298 HydrophobicContact CD2-CD2 4.35Å; L286-F298 HydrophobicContact CD2-CE1 3.86Å; L286-F298 HydrophobicContact CD2-CE2 4.47Å; L286-F298 HydrophobicContact CD2-CG 3.97Å; L286-F298 HydrophobicContact CD2-CZ 4.22Å; L286-F298 HydrophobicContact CG-CB 3.87Å; L286-F298 HydrophobicContact CG-CD1 3.93Å; L286-F298 HydrophobicContact CG-CD2 4.38Å; L286-F298 HydrophobicContact CG-CG 3.82Å; L286-V349 HydrophobicContact CD2-CB 4.03Å; L286-V349 HydrophobicContact CD2-CG1 3.71Å; L286-F363 HydrophobicContact CB-CB 4.49Å; L286-F363 HydrophobicContact CB-CD1 3.73Å; L286-F363 HydrophobicContact CB-CE1 4.12Å; L286-F363 HydrophobicContact CB-CG 4.15Å; L286-F363 HydrophobicContact CD1-CD1 4.15Å; L286-F363 HydrophobicContact CD1-CD2 4.39Å; L286-F363 HydrophobicContact CD1-CE1 3.85Å; L286-F363 HydrophobicContact CD1-CE2 4.14Å; L286-F363 HydrophobicContact CD1-CG 4.42Å; L286-F363 HydrophobicContact CD1-CZ 3.87Å; L286-F363 HydrophobicContact CD2-CB 3.98Å; L286-F363 HydrophobicContact CD2-CD1 4.15Å; L286-F363 HydrophobicContact CD2-CD2 3.8Å; L286-F363 HydrophobicContact CD2-CE2 4.32Å; L286-F363 HydrophobicContact CD2-CG 3.72Å; L286-F363 HydrophobicContact CG-CD1 4.22Å; L286-F363 HydrophobicContact CG-CE1 4.41Å; L286-F363 HydrophobicContact CG-CG 4.3Å |
| 287 | S | 76.4 | Confident | 76.4 | Confident | 52 Ų | 52 | 68.2 Ų | 68.2 | 36% | 0.364 | 37% | 0.365 | S | S | . | . | trans | -74.3 | 151 | -175.4 | -54 | 0 | 0 | 0 | 0 | 112.7 | P284 E289 V365 | P284-S287 PolarHBondContact O-N 2.67Å; P284-S287 PolarHBondContact O-OG 3.19Å; S287-E289 VanDerWaalsContact C-N 3.25Å; S287-E289 WeakPolarHBondContact CB-O 3.26Å; S287-E289 PolarHBondContact O-N 2.78Å; S287-V365 VanDerWaalsContact O-CG1 3.29Å; S287-V365 WeakPolarHBondContact O-CG1 3.32Å | ||
| 288 | Q | 69.2 | Low | 77.4 | Confident | 170 Ų | 170 | 64.1 Ų | 64.1 | 79% | 0.794 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -62.4 | -32.5 | -171.7 | -169.9 | 170.2 | 1.2 | 0 | 0 | 113.4 | R366 | Q288-R366 WeakPolarHBondContact O-CB 3.2Å; Q288-R366 PolarHBondContact O-N 2.84Å |
| 289 | E | 62.7 | Low | 78.2 | Confident | 134 Ų | 134 | 62.5 Ų | 62.5 | 63% | 0.626 | 33% | 0.33 | S | S | * | . | B | Isolated β-bridge | trans | -121.2 | 142.8 | 159.9 | -61.5 | -174.3 | 151.8 | 0 | 0 | 107.9 | S287 R366 V368 | S287-E289 VanDerWaalsContact C-N 3.25Å; S287-E289 WeakPolarHBondContact CB-O 3.26Å; S287-E289 PolarHBondContact O-N 2.78Å; E289-R366 WeakPolarHBondContact CA-O 3.34Å; E289-R366 HydrophobicContact CG-CB 4.49Å; E289-V368 HydrophobicContact CG-CG2 4.46Å |
| 290 | I | 69.3 | Low | 78.9 | Confident | 12 Ų | 12 | 62.5 Ų | 62.5 | 6% | 0.062 | 33% | 0.33 | C | S | . | . | trans | -136.5 | 147.8 | 173.1 | 56 | 175.3 | 0 | 0 | 0 | 110.3 | Y339 P341 V365 | I290-Y339 VanDerWaalsContact CD1-OH 3.23Å; I290-Y339 WeakPolarHBondContact CD1-OH 3.18Å; I290-P341 HydrophobicContact CD1-CG 4.05Å; I290-V365 HydrophobicContact CD1-CB 3.61Å; I290-V365 HydrophobicContact CD1-CG1 3.76Å; I290-V365 HydrophobicContact CD1-CG2 4.08Å; I290-V365 HydrophobicContact CG1-CB 3.94Å; I290-V365 HydrophobicContact CG1-CG1 4.26Å; I290-V365 HydrophobicContact CG2-CG1 4.31Å | ||
| 291 | P | 68.4 | Low | 79 | Confident | 65 Ų | 65 | 60.1 Ų | 60.1 | 42% | 0.422 | 32% | 0.318 | S | S | . | . | trans | -69.7 | 160.5 | 176.4 | 29.8 | -34.7 | 0 | 0 | 0 | 112 | E294 P341 | P291-E294 HydrophobicContact CG-CB 4.18Å; P291-E294 VanDerWaalsContact CG-OE2 3.22Å; P291-E294 WeakPolarHBondContact CG-OE2 3.26Å; P291-P341 WeakPolarHBondContact O-CG 3.42Å | ||
| 292 | I | 74.1 | Confident | 78.9 | Confident | 71 Ų | 71 | 59.6 Ų | 59.6 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -85.9 | 145.4 | 172.9 | -168.9 | 172.9 | 0 | 0 | 0 | 110.6 | E294 I344 | I292-E294 VanDerWaalsContact C-N 3.33Å; I292-E294 PolarHBondContact O-N 3Å; I292-I344 HydrophobicContact CD1-CG1 3.68Å |
| 293 | E | 68.9 | Low | 78.5 | Confident | 140 Ų | 140 | 59.5 Ų | 59.5 | 65% | 0.654 | 32% | 0.317 | S | S | * | . | S | Bend | trans | 68.5 | 3 | 177.4 | -53 | -136.6 | 120.9 | 0 | 0 | 118.2 | T340 P341 | E293-T340 WeakPolarHBondContact O-CG2 3.28Å; E293-P341 WeakPolarHBondContact CA-O 3.4Å; E293-P341 PolarHBondContact N-O 2.97Å |
| 294 | E | 69.5 | Low | 77.5 | Confident | 115 Ų | 115 | 60.3 Ų | 60.3 | 54% | 0.537 | 33% | 0.325 | S | S | . | . | trans | -88.2 | 139 | 177.6 | -166.1 | 167.6 | -147 | 0 | 0 | 113.2 | P291 I292 V296 P341 | P291-E294 HydrophobicContact CG-CB 4.18Å; P291-E294 VanDerWaalsContact CG-OE2 3.22Å; P291-E294 WeakPolarHBondContact CG-OE2 3.26Å; I292-E294 VanDerWaalsContact C-N 3.33Å; I292-E294 PolarHBondContact O-N 3Å; E294-V296 PolarHBondContact O-N 2.88Å; E294-P341 WeakPolarHBondContact O-CD 3.22Å | ||
| 295 | Q | 82 | Confident | 76.9 | Confident | 116 Ų | 116 | 60 Ų | 60 | 54% | 0.542 | 31% | 0.312 | S | S | . | . | trans | -76.6 | 113 | 174.1 | -169.3 | -174.5 | 5.6 | 0 | 0 | 110.7 | Y339 T340 | Q295-Y339 WeakPolarHBondContact CA-O 3.42Å; Q295-T340 WeakPolarHBondContact CA-OG1 3.45Å | ||
| 296 | V | 82 | Confident | 75.6 | Confident | 13 Ų | 13 | 64.7 Ų | 64.7 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 151.3 | -177.6 | -67.3 | 0 | 0 | 0 | 0 | 111.5 | E294 Y339 | E294-V296 PolarHBondContact O-N 2.88Å; V296-Y339 HydrophobicContact CG2-CD1 4Å; V296-Y339 HydrophobicContact CG2-CD2 4.25Å; V296-Y339 HydrophobicContact CG2-CE1 3.57Å; V296-Y339 HydrophobicContact CG2-CE2 3.84Å; V296-Y339 HydrophobicContact CG2-CG 4.32Å; V296-Y339 VanDerWaalsContact CG2-CZ 3.47Å; V296-Y339 PolarHBondContact N-O 2.88Å; V296-Y339 PolarHBondContact O-N 3.22Å; V296-Y339 VanDerWaalsContact O-O 3.05Å |
| 297 | G | 85.5 | Confident | 74.9 | Confident | 20 Ų | 20 | 64.5 Ų | 64.5 | 21% | 0.206 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 163 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G283 P284 G285 V337 | G283-G297 CarbonylContact C-O 3.46Å; P284-G297 VanDerWaalsContact CD-O 3.23Å; P284-G297 WeakPolarHBondContact CD-O 2.95Å; G285-G297 PolarHBondContact N-O 3.19Å; G285-G297 VanDerWaalsContact N-O 3.1Å; G297-V337 VanDerWaalsContact CA-O 3.26Å; G297-V337 WeakPolarHBondContact CA-O 3.46Å |
| 298 | F | 92.1 | Very high | 74.8 | Confident | 5 Ų | 5 | 66.7 Ų | 66.7 | 2% | 0.022 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 160.3 | 169.9 | 63 | -90.6 | 0 | 0 | 0 | 110.7 | A281 Y282 L286 V300 V311 V337 Y339 V349 V351 | A281-F298 HydrophobicContact CB-CD2 4.22Å; Y282-F298 WeakPolarHBondContact O-CA 3.5Å; Y282-F298 WeakPolarHBondContact O-CB 3.34Å; L286-F298 HydrophobicContact CD1-CB 3.71Å; L286-F298 HydrophobicContact CD1-CD1 4.33Å; L286-F298 HydrophobicContact CD1-CD2 3.89Å; L286-F298 HydrophobicContact CD1-CG 3.74Å; L286-F298 HydrophobicContact CD2-CD1 3.72Å; L286-F298 HydrophobicContact CD2-CD2 4.35Å; L286-F298 HydrophobicContact CD2-CE1 3.86Å; L286-F298 HydrophobicContact CD2-CE2 4.47Å; L286-F298 HydrophobicContact CD2-CG 3.97Å; L286-F298 HydrophobicContact CD2-CZ 4.22Å; L286-F298 HydrophobicContact CG-CB 3.87Å; L286-F298 HydrophobicContact CG-CD1 3.93Å; L286-F298 HydrophobicContact CG-CD2 4.38Å; L286-F298 HydrophobicContact CG-CG 3.82Å; F298-V300 HydrophobicContact CD2-CG2 4.02Å; F298-V300 HydrophobicContact CE2-CG2 3.74Å; F298-V311 HydrophobicContact CZ-CG1 3.9Å; F298-V311 HydrophobicContact CZ-CG2 4.37Å; F298-V337 HydrophobicContact CD1-CB 4.31Å; F298-V337 HydrophobicContact CD1-CG1 4.45Å; F298-V337 HydrophobicContact CD2-CB 4.02Å; F298-V337 HydrophobicContact CD2-CG2 4.11Å; F298-V337 HydrophobicContact CE1-CB 4.05Å; F298-V337 HydrophobicContact CE1-CG1 3.76Å; F298-V337 HydrophobicContact CE2-CB 3.75Å; F298-V337 HydrophobicContact CE2-CG1 3.98Å; F298-V337 HydrophobicContact CE2-CG2 3.7Å; F298-V337 HydrophobicContact CG-CB 4.3Å; F298-V337 HydrophobicContact CZ-CB 3.79Å; F298-V337 HydrophobicContact CZ-CG1 3.52Å; F298-V337 HydrophobicContact CZ-CG2 4.13Å; F298-V337 PolarHBondContact N-O 2.88Å; F298-V337 WeakPolarHBondContact O-CA 3.31Å; F298-V337 WeakPolarHBondContact O-CB 3.49Å; F298-V337 PolarHBondContact O-N 3.37Å; F298-V337 VanDerWaalsContact O-O 3.11Å; F298-Y339 HydrophobicContact CD1-CD1 4.49Å; F298-Y339 HydrophobicContact CD1-CE1 4.27Å; F298-Y339 HydrophobicContact CE1-CD1 4.08Å; F298-Y339 HydrophobicContact CE1-CE1 4.02Å; F298-V349 HydrophobicContact CE1-CG1 3.63Å; F298-V349 HydrophobicContact CZ-CG1 3.66Å; F298-V351 HydrophobicContact CE2-CG2 3.46Å; F298-V351 VanDerWaalsContact CE2-CG2 3.46Å; F298-V351 HydrophobicContact CZ-CG2 3.59Å |
| 299 | N | 89 | Confident | 75.4 | Confident | 53 Ų | 53 | 59 Ų | 59 | 28% | 0.283 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 156.2 | 172.7 | -64.3 | -24.1 | 0 | 0 | 0 | 109.9 | A281 Y282 Y335 M336 | A281-N299 WeakPolarHBondContact CA-O 3.22Å; Y282-N299 HydrophobicContact CE1-CB 4.14Å; Y282-N299 HydrophobicContact CE2-CB 4.39Å; Y282-N299 PolarHBondContact N-O 2.6Å; Y282-N299 VanDerWaalsContact N-O 3.16Å; Y282-N299 PolarHBondContact O-N 2.8Å; N299-Y335 CarbonylContact C-O 3.41Å; N299-Y335 WeakPolarHBondContact CA-O 3.44Å; N299-M336 WeakPolarHBondContact OD1-CG 3.38Å |
| 300 | V | 89.7 | Confident | 76.4 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 106.7 | 169.5 | -172.5 | 0 | 0 | 0 | 0 | 107.5 | V279 A281 F298 V302 V309 T334 Y335 V337 V351 I358 | V279-V300 HydrophobicContact CG1-CG1 3.46Å; V279-V300 VanDerWaalsContact CG1-CG1 3.46Å; A281-V300 HydrophobicContact CB-CG2 4.19Å; F298-V300 HydrophobicContact CD2-CG2 4.02Å; F298-V300 HydrophobicContact CE2-CG2 3.74Å; V300-V302 HydrophobicContact CG1-CG1 4.49Å; V300-V309 HydrophobicContact CG1-CG1 4.44Å; V300-T334 CarbonylContact O-C 3.5Å; V300-T334 WeakPolarHBondContact O-CA 3.39Å; V300-Y335 PolarHBondContact N-O 2.99Å; V300-Y335 PolarHBondContact O-N 2.95Å; V300-V337 HydrophobicContact CG2-CG2 3.93Å; V300-V351 HydrophobicContact CG1-CG1 4.07Å; V300-V351 HydrophobicContact CG2-CG1 3.69Å; V300-I358 HydrophobicContact CG1-CD1 4.34Å |
| 301 | D | 85.8 | Confident | 77.4 | Confident | 38 Ų | 38 | 54.9 Ų | 54.9 | 20% | 0.203 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 118.3 | -179.6 | -177.7 | 5.5 | 0 | 0 | 0 | 110.6 | V279 L280 Y282 Q303 T334 | V279-D301 WeakPolarHBondContact CA-O 3.34Å; L280-D301 HydrophobicContact CB-CB 4.4Å; L280-D301 PolarHBondContact N-O 2.99Å; L280-D301 PolarHBondContact O-N 2.99Å; Y282-D301 HydrophobicContact CE1-CB 4.15Å; D301-Q303 WeakPolarHBondContact OD1-CA 3.44Å; D301-Q303 PolarHBondContact OD1-N 2.92Å; D301-T334 HydrophobicContact CB-CG2 3.94Å |
| 302 | V | 82.5 | Confident | 78.3 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -110.8 | 14.1 | 175.1 | -53.3 | 0 | 0 | 0 | 0 | 112.2 | V279 V300 G304 R305 V309 F328 G333 Y335 Y353 | V279-V302 HydrophobicContact CG1-CG1 4.1Å; V279-V302 HydrophobicContact CG2-CG1 4.37Å; V300-V302 HydrophobicContact CG1-CG1 4.49Å; V302-G304 PolarHBondContact O-N 2.83Å; V302-G304 VanDerWaalsContact O-N 3.08Å; V302-R305 WeakPolarHBondContact O-CB 3.22Å; V302-R305 PolarHBondContact O-N 3.33Å; V302-V309 HydrophobicContact CG1-CG2 4.16Å; V302-F328 HydrophobicContact CG2-CE2 3.91Å; V302-G333 CarbonylContact C-O 3.58Å; V302-G333 WeakPolarHBondContact CG2-O 3.5Å; V302-G333 PolarHBondContact N-O 3.05Å; V302-Y335 HydrophobicContact CG1-CD2 4.09Å; V302-Y335 HydrophobicContact CG1-CE2 4.05Å; V302-Y335 HydrophobicContact CG2-CD2 4.19Å; V302-Y335 HydrophobicContact CG2-CE2 3.81Å; V302-Y353 HydrophobicContact CB-CD2 4.47Å; V302-Y353 HydrophobicContact CB-CE2 3.92Å; V302-Y353 HydrophobicContact CG1-CD2 3.66Å; V302-Y353 HydrophobicContact CG1-CE2 3.59Å | ||
| 303 | Q | 74.1 | Confident | 79 | Confident | 104 Ų | 104 | 51 Ų | 51 | 49% | 0.486 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 36.1 | 171.1 | -55.2 | 178.1 | 27 | 0 | 0 | 113.8 | L274 Q278 D301 R305 G333 | L274-Q303 HydrophobicContact CD1-CB 4.09Å; L274-Q303 HydrophobicContact CD1-CG 4.26Å; L274-Q303 HydrophobicContact CD2-CB 3.95Å; L274-Q303 HydrophobicContact CD2-CG 3.68Å; Q278-Q303 PolarHBondContact O-NE2 3.39Å; D301-Q303 WeakPolarHBondContact OD1-CA 3.44Å; D301-Q303 PolarHBondContact OD1-N 2.92Å; Q303-R305 VanDerWaalsContact C-N 3.28Å; Q303-R305 PolarHBondContact O-N 2.95Å; Q303-G333 PolarHBondContact N-O 3.32Å |
| 304 | G | 61.6 | Low | 79.6 | Confident | 48 Ų | 48 | 45.8 Ų | 45.8 | 50% | 0.495 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 8.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | V302 P306 G333 | V302-G304 PolarHBondContact O-N 2.83Å; V302-G304 VanDerWaalsContact O-N 3.08Å; G304-P306 VanDerWaalsContact O-CD 3.31Å; G304-P306 WeakPolarHBondContact O-CD 3.21Å; G304-G333 PolarHBondContact N-O 2.81Å |
| 305 | R | 65.8 | Low | 79.9 | Confident | 81 Ų | 81 | 41.2 Ų | 41.2 | 31% | 0.306 | 23% | 0.231 | S | C | . | . | trans | -103.3 | 95.3 | -179.4 | -52.4 | -169.1 | -175.6 | 174.4 | -8.9 | 109.9 | E272 L274 V302 Q303 Y353 | E272-R305 WeakPolarHBondContact O-CD 3.26Å; E272-R305 PolarHBondContact O-NH1 2.86Å; E272-R305 IonicContact OE2-CZ 3.05Å; E272-R305 IonicContact OE2-NH1 2.75Å; E272-R305 PolarHBondContact OE2-NH1 2.84Å; E272-R305 IonicContact OE2-NH2 3.6Å; E272-R305 PolarHBondContact OE2-NH2 3.21Å; L274-R305 HydrophobicContact CB-CB 4.45Å; V302-R305 WeakPolarHBondContact O-CB 3.22Å; V302-R305 PolarHBondContact O-N 3.33Å; Q303-R305 VanDerWaalsContact C-N 3.28Å; Q303-R305 PolarHBondContact O-N 2.95Å; R305-Y353 PolarHBondContact O-OH 2.82Å | ||
| 306 | P | 55.6 | Low | 79.4 | Confident | 100 Ų | 100 | 38.1 Ų | 38.1 | 65% | 0.649 | 22% | 0.221 | S | C | * | . | trans | -64.8 | 139.8 | -171.7 | 26.8 | -35.2 | 0 | 0 | 0 | 112.1 | G304 | G304-P306 VanDerWaalsContact O-CD 3.31Å; G304-P306 WeakPolarHBondContact O-CD 3.21Å | ||
| 307 | G | 69.2 | Low | 78.8 | Confident | 18 Ų | 18 | 42.5 Ų | 42.5 | 19% | 0.186 | 24% | 0.243 | C | C | . | . | trans | -164.3 | 172.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111 | V309 Y335 N354 | G307-V309 PolarHBondContact O-N 3.19Å; G307-Y335 PolarHBondContact O-OH 3.41Å; G307-N354 WeakPolarHBondContact CA-OD1 3.37Å | ||
| 308 | D | 74.3 | Confident | 78.1 | Confident | 97 Ų | 97 | 51.9 Ų | 51.9 | 52% | 0.519 | 27% | 0.273 | S | S | . | . | trans | -79.2 | 104.9 | -173.3 | 179.5 | 39.3 | 0 | 0 | 0 | 111.7 | Y353 N354 | D308-Y353 CarbonylContact O-C 3.58Å; D308-Y353 VanDerWaalsContact O-CA 3.27Å; D308-Y353 WeakPolarHBondContact O-CA 3.42Å; D308-N354 PolarHBondContact N-OD1 3.46Å; D308-N354 PolarHBondContact O-N 3.36Å | ||
| 309 | V | 81.7 | Confident | 77.3 | Confident | 9 Ų | 9 | 59.2 Ų | 59.2 | 6% | 0.055 | 30% | 0.3 | C | S | . | . | trans | -98.3 | 105.1 | 178.2 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | V300 V302 G307 V311 L326 Y335 R352 Y353 | V300-V309 HydrophobicContact CG1-CG1 4.44Å; V302-V309 HydrophobicContact CG1-CG2 4.16Å; G307-V309 PolarHBondContact O-N 3.19Å; V309-V311 HydrophobicContact CG1-CG2 4.38Å; V309-L326 HydrophobicContact CG1-CD1 4.28Å; V309-L326 WeakPolarHBondContact O-CD2 3.4Å; V309-Y335 HydrophobicContact CB-CD1 4.02Å; V309-Y335 HydrophobicContact CB-CD2 4.22Å; V309-Y335 HydrophobicContact CB-CE1 4Å; V309-Y335 HydrophobicContact CB-CE2 4.23Å; V309-Y335 HydrophobicContact CB-CG 4.14Å; V309-Y335 HydrophobicContact CG1-CD1 4.36Å; V309-Y335 HydrophobicContact CG1-CG 4.25Å; V309-Y335 HydrophobicContact CG2-CD1 4.33Å; V309-Y335 HydrophobicContact CG2-CD2 3.65Å; V309-Y335 HydrophobicContact CG2-CE1 4.22Å; V309-Y335 HydrophobicContact CG2-CE2 3.54Å; V309-Y335 HydrophobicContact CG2-CG 4.08Å; V309-R352 VanDerWaalsContact CA-O 3.32Å; V309-R352 WeakPolarHBondContact CA-O 3.37Å; V309-Y353 HydrophobicContact CG2-CD2 3.82Å | ||
| 310 | E | 84.1 | Confident | 76.8 | Confident | 55 Ų | 55 | 60.3 Ų | 60.3 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | trans | -92 | 145.3 | 167.1 | -48.8 | -170 | 102.4 | 0 | 0 | 111.2 | F312 R352 | E310-F312 HydrophobicContact CB-CD2 4.36Å; E310-F312 HydrophobicContact CB-CE2 3.61Å; E310-F312 HydrophobicContact CB-CZ 4.17Å; E310-F312 HydrophobicContact CG-CE2 4.26Å; E310-F312 WeakPolarHBondContact OE1-CZ 3.44Å; E310-F312 WeakPolarHBondContact OE2-CE2 3.37Å; E310-R352 HydrophobicContact CB-CB 4.15Å; E310-R352 PolarHBondContact N-O 2.74Å; E310-R352 PolarHBondContact O-N 2.83Å; E310-R352 WeakPolarHBondContact OE2-CD 3.48Å; E310-R352 IonicContact OE2-CZ 2.74Å; E310-R352 IonicContact OE2-NE 2.97Å; E310-R352 IonicContact OE2-NH1 2.74Å; E310-R352 PolarHBondContact OE2-NH1 2.81Å | ||
| 311 | V | 89.9 | Confident | 76.2 | Confident | 5 Ų | 5 | 65.5 Ų | 65.5 | 3% | 0.03 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 135.4 | 166.6 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | F298 V309 I313 P323 V337 V349 T350 V351 | F298-V311 HydrophobicContact CZ-CG1 3.9Å; F298-V311 HydrophobicContact CZ-CG2 4.37Å; V309-V311 HydrophobicContact CG1-CG2 4.38Å; V311-I313 HydrophobicContact CG1-CD1 4.19Å; V311-P323 HydrophobicContact CB-CG 3.9Å; V311-P323 HydrophobicContact CG1-CB 4.48Å; V311-P323 HydrophobicContact CG1-CG 4.03Å; V311-P323 VanDerWaalsContact O-CD 3.23Å; V311-P323 WeakPolarHBondContact O-CD 3.23Å; V311-V337 HydrophobicContact CB-CG1 4.41Å; V311-V337 HydrophobicContact CG1-CG1 4.05Å; V311-V337 HydrophobicContact CG2-CG1 4.18Å; V311-V337 HydrophobicContact CG2-CG2 4.23Å; V311-V349 HydrophobicContact CG1-CG1 4.45Å; V311-T350 CarbonylContact C-O 3.54Å; V311-T350 VanDerWaalsContact CA-O 3.3Å; V311-T350 WeakPolarHBondContact CA-O 3.43Å; V311-V351 HydrophobicContact CG2-CG1 4.2Å; V311-V351 HydrophobicContact CG2-CG2 4.27Å |
| 312 | F | 87.7 | Confident | 76 | Confident | 39 Ų | 39 | 71.2 Ų | 71.2 | 17% | 0.171 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 140 | 174.7 | -55 | -83.7 | 0 | 0 | 0 | 110.4 | E310 T320 K322 V349 T350 | E310-F312 HydrophobicContact CB-CD2 4.36Å; E310-F312 HydrophobicContact CB-CE2 3.61Å; E310-F312 HydrophobicContact CB-CZ 4.17Å; E310-F312 HydrophobicContact CG-CE2 4.26Å; E310-F312 WeakPolarHBondContact OE1-CZ 3.44Å; E310-F312 WeakPolarHBondContact OE2-CE2 3.37Å; F312-T320 HydrophobicContact CB-CG2 3.79Å; F312-T320 HydrophobicContact CD1-CG2 4.04Å; F312-T320 HydrophobicContact CG-CG2 4.27Å; F312-K322 HydrophobicContact CD1-CG 4.48Å; F312-V349 CarbonylContact O-C 3.31Å; F312-T350 PolarHBondContact N-O 3.12Å; F312-T350 PolarHBondContact O-N 3.22Å |
| 313 | I | 87.6 | Confident | 76.1 | Confident | 14 Ų | 14 | 72.1 Ų | 72.1 | 7% | 0.072 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 110.6 | 172.8 | -56.6 | 93.1 | 0 | 0 | 0 | 107.6 | V311 T320 E321 P323 Y339 Q348 V349 | V311-I313 HydrophobicContact CG1-CD1 4.19Å; I313-T320 WeakPolarHBondContact O-CA 3.49Å; I313-E321 PolarHBondContact N-O 3.02Å; I313-E321 PolarHBondContact O-N 3.25Å; I313-P323 HydrophobicContact CD1-CB 4.02Å; I313-Y339 HydrophobicContact CB-CD2 4.37Å; I313-Y339 HydrophobicContact CD1-CD1 4.4Å; I313-Y339 HydrophobicContact CD1-CD2 4.41Å; I313-Y339 HydrophobicContact CD1-CG 3.95Å; I313-Y339 HydrophobicContact CG1-CD1 4.12Å; I313-Y339 HydrophobicContact CG1-CD2 3.79Å; I313-Y339 HydrophobicContact CG1-CE2 4.25Å; I313-Y339 HydrophobicContact CG1-CG 3.73Å; I313-Y339 HydrophobicContact CG2-CD2 3.87Å; I313-Y339 HydrophobicContact CG2-CE2 3.89Å; I313-Q348 WeakPolarHBondContact CA-O 3.47Å; I313-V349 HydrophobicContact CG1-CG2 4.17Å; I313-V349 HydrophobicContact CG2-CG2 4.37Å |
| 314 | T | 82.9 | Confident | 76.4 | Confident | 31 Ų | 31 | 72.4 Ų | 72.4 | 19% | 0.19 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 123 | 177.9 | -57.4 | 0 | 0 | 0 | 0 | 109.8 | R319 T320 H347 Q348 | T314-R319 WeakPolarHBondContact CA-O 3.38Å; T314-T320 WeakPolarHBondContact OG1-CG2 3.2Å; T314-T320 PolarHBondContact OG1-OG1 3.04Å; T314-H347 CarbonylContact O-C 3.52Å; T314-H347 VanDerWaalsContact O-CA 3.31Å; T314-H347 WeakPolarHBondContact O-CA 3.37Å; T314-Q348 PolarHBondContact N-O 2.87Å; T314-Q348 PolarHBondContact O-N 2.89Å |
| 315 | D | 75.2 | Confident | 77.3 | Confident | 20 Ų | 20 | 77.3 Ų | 77.3 | 11% | 0.107 | 38% | 0.375 | C | S | . | . | trans | -81.4 | 172.6 | 175.6 | 89 | -10.2 | 0 | 0 | 0 | 111.8 | L317 R318 R319 V343 | D315-L317 PolarHBondContact O-N 3.45Å; D315-L317 WeakPolarHBondContact OD1-CA 3.13Å; D315-L317 VanDerWaalsContact OD1-CB 3.31Å; D315-L317 WeakPolarHBondContact OD1-CB 3.13Å; D315-L317 PolarHBondContact OD1-N 2.79Å; D315-R318 WeakPolarHBondContact O-CA 3.46Å; D315-R318 PolarHBondContact O-N 2.83Å; D315-R318 PolarHBondContact OD1-N 3.15Å; D315-R319 PolarHBondContact N-O 2.85Å; D315-R319 WeakPolarHBondContact OD1-CB 3.42Å; D315-R319 PolarHBondContact OD1-N 2.97Å; D315-R319 WeakPolarHBondContact OD2-CD 3.37Å; D315-V343 HydrophobicContact CB-CG2 4.31Å; D315-V343 WeakPolarHBondContact OD2-CG2 3.29Å | ||
| 316 | P | 71.7 | Confident | 78.2 | Confident | 51 Ų | 51 | 76.9 Ų | 76.9 | 33% | 0.331 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -18.3 | 179.4 | -21.2 | 35.8 | 0 | 0 | 0 | 113.8 | V343 G345 | P316-V343 HydrophobicContact CB-CG1 4.42Å; P316-V343 HydrophobicContact CG-CB 4.31Å; P316-V343 HydrophobicContact CG-CG1 3.93Å; P316-G345 WeakPolarHBondContact CG-O 3.48Å |
| 317 | L | 69.5 | Low | 79.2 | Confident | 104 Ų | 104 | 75 Ų | 75 | 55% | 0.545 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 7.8 | 174.4 | -53.4 | 173.5 | 0 | 0 | 0 | 111.6 | D315 R319 V343 | D315-L317 PolarHBondContact O-N 3.45Å; D315-L317 WeakPolarHBondContact OD1-CA 3.13Å; D315-L317 VanDerWaalsContact OD1-CB 3.31Å; D315-L317 WeakPolarHBondContact OD1-CB 3.13Å; D315-L317 PolarHBondContact OD1-N 2.79Å; L317-R319 HydrophobicContact CB-CG 4.22Å; L317-R319 PolarHBondContact O-N 2.92Å; L317-V343 HydrophobicContact CG-CG1 4.44Å |
| 318 | R | 70.2 | Confident | 79.5 | Confident | 218 Ų | 218 | 77.7 Ų | 77.7 | 82% | 0.823 | 37% | 0.372 | S | S | * | . | trans | 62.3 | 13.7 | -175.2 | -57.5 | -176.5 | 176 | -171.6 | -1.7 | 114.9 | D315 T320 | D315-R318 WeakPolarHBondContact O-CA 3.46Å; D315-R318 PolarHBondContact O-N 2.83Å; D315-R318 PolarHBondContact OD1-N 3.15Å; R318-T320 PolarHBondContact O-N 2.86Å; R318-T320 PolarHBondContact O-OG1 3.4Å | ||
| 319 | R | 75.2 | Confident | 79.5 | Confident | 158 Ų | 158 | 75.9 Ų | 75.9 | 60% | 0.596 | 36% | 0.362 | S | S | * | . | trans | -67.7 | 125.3 | 170.3 | -56.5 | 175.5 | 178.7 | 170.7 | -1.4 | 107.3 | T314 D315 L317 | T314-R319 WeakPolarHBondContact CA-O 3.38Å; D315-R319 PolarHBondContact N-O 2.85Å; D315-R319 WeakPolarHBondContact OD1-CB 3.42Å; D315-R319 PolarHBondContact OD1-N 2.97Å; D315-R319 WeakPolarHBondContact OD2-CD 3.37Å; L317-R319 HydrophobicContact CB-CG 4.22Å; L317-R319 PolarHBondContact O-N 2.92Å | ||
| 320 | T | 78.2 | Confident | 78.7 | Confident | 77 Ų | 77 | 83.8 Ų | 83.8 | 47% | 0.472 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 104.8 | -173.4 | -60.5 | 0 | 0 | 0 | 0 | 108.7 | F312 I313 T314 R318 | F312-T320 HydrophobicContact CB-CG2 3.79Å; F312-T320 HydrophobicContact CD1-CG2 4.04Å; F312-T320 HydrophobicContact CG-CG2 4.27Å; I313-T320 WeakPolarHBondContact O-CA 3.49Å; T314-T320 WeakPolarHBondContact OG1-CG2 3.2Å; T314-T320 PolarHBondContact OG1-OG1 3.04Å; R318-T320 PolarHBondContact O-N 2.86Å; R318-T320 PolarHBondContact O-OG1 3.4Å |
| 321 | E | 77.9 | Confident | 77.8 | Confident | 108 Ų | 108 | 90.7 Ų | 90.7 | 51% | 0.505 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 149.8 | 178.8 | -64.3 | -171.6 | 177 | 0 | 0 | 110.3 | I313 K342 | I313-E321 PolarHBondContact N-O 3.02Å; I313-E321 PolarHBondContact O-N 3.25Å; E321-K342 IonicContact OE2-NZ 3.71Å |
| 322 | K | 82.4 | Confident | 77 | Confident | 158 Ų | 158 | 93.1 Ų | 93.1 | 69% | 0.687 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -82.3 | 151.2 | 166.3 | -72 | -167.1 | 174.2 | -166.4 | 0 | 109.1 | F312 | F312-K322 HydrophobicContact CD1-CG 4.48Š|
| 323 | P | 83.7 | Confident | 76.1 | Confident | 20 Ų | 20 | 91.4 Ų | 91.4 | 13% | 0.13 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 151.7 | 176 | 29.1 | -38.7 | 0 | 0 | 0 | 111.5 | V311 I313 R325 L326 V337 Q338 | V311-P323 HydrophobicContact CB-CG 3.9Å; V311-P323 HydrophobicContact CG1-CB 4.48Å; V311-P323 HydrophobicContact CG1-CG 4.03Å; V311-P323 VanDerWaalsContact O-CD 3.23Å; V311-P323 WeakPolarHBondContact O-CD 3.23Å; I313-P323 HydrophobicContact CD1-CB 4.02Å; P323-R325 PolarHBondContact O-N 3.25Å; P323-L326 HydrophobicContact CG-CB 4.41Å; P323-V337 HydrophobicContact CB-CG1 3.64Å; P323-V337 HydrophobicContact CG-CG1 3.94Å; P323-Q338 CarbonylContact C-O 3.53Å; P323-Q338 VanDerWaalsContact CB-O 3.27Å; P323-Q338 WeakPolarHBondContact CB-O 3.37Å |
| 324 | T | 79.7 | Confident | 75.9 | Confident | 110 Ų | 110 | 91.6 Ų | 91.6 | 68% | 0.675 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -66.4 | -23.1 | -179.4 | -39.5 | 0 | 0 | 0 | 0 | 112.5 | Q338 | T324-Q338 PolarHBondContact N-O 2.77Š|
| 325 | R | 81.2 | Confident | 75.8 | Confident | 150 Ų | 150 | 91.6 Ų | 91.6 | 57% | 0.566 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 137.6 | 173.8 | -171.3 | 177.1 | -69.3 | -139.8 | 0.6 | 110.3 | P323 T327 V337 Q338 | P323-R325 PolarHBondContact O-N 3.25Å; R325-T327 HydrophobicContact CG-CG2 4.21Å; R325-V337 WeakPolarHBondContact O-CA 3.27Å; R325-Q338 PolarHBondContact O-N 3.28Å |
| 326 | L | 83.7 | Confident | 76.3 | Confident | 72 Ų | 72 | 94.9 Ų | 94.9 | 38% | 0.377 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 117.4 | 169.6 | 176.5 | 66.4 | 0 | 0 | 0 | 107.7 | V309 P323 Y335 M336 V337 | V309-L326 HydrophobicContact CG1-CD1 4.28Å; V309-L326 WeakPolarHBondContact O-CD2 3.4Å; P323-L326 HydrophobicContact CG-CB 4.41Å; L326-Y335 HydrophobicContact CD1-CD1 4.04Å; L326-M336 WeakPolarHBondContact CA-O 3.48Å; L326-V337 HydrophobicContact CD1-CG2 3.92Å |
| 327 | T | 77.2 | Confident | 77.3 | Confident | 62 Ų | 62 | 92.6 Ų | 92.6 | 38% | 0.38 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 130.5 | -177.9 | 48.6 | 0 | 0 | 0 | 0 | 111.2 | R325 Y335 M336 | R325-T327 HydrophobicContact CG-CG2 4.21Å; T327-Y335 WeakPolarHBondContact O-CA 3.47Å; T327-M336 PolarHBondContact N-O 2.8Å; T327-M336 PolarHBondContact O-N 3.18Å |
| 328 | F | 75.9 | Confident | 78 | Confident | 73 Ų | 73 | 91.4 Ų | 91.4 | 32% | 0.32 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 139.1 | 170.2 | -174.6 | -123.6 | 0 | 0 | 0 | 110.7 | V302 E330 Y335 | V302-F328 HydrophobicContact CG2-CE2 3.91Å; F328-E330 HydrophobicContact CD1-CG 4.05Å; F328-E330 HydrophobicContact CE1-CB 4.47Å; F328-E330 HydrophobicContact CE1-CG 3.92Å; F328-Y335 HydrophobicContact CB-CD1 3.96Å; F328-Y335 HydrophobicContact CB-CE1 3.71Å; F328-Y335 HydrophobicContact CB-CE2 4.49Å; F328-Y335 HydrophobicContact CB-CG 4.45Å; F328-Y335 HydrophobicContact CD2-CD1 4.37Å; F328-Y335 AromaticContact CD2-CD2 3.67Å; F328-Y335 HydrophobicContact CD2-CD2 3.67Å; F328-Y335 HydrophobicContact CD2-CE1 4.11Å; F328-Y335 AromaticContact CD2-CE2 3.32Å; F328-Y335 HydrophobicContact CD2-CE2 3.32Å; F328-Y335 HydrophobicContact CD2-CG 4.16Å; F328-Y335 AromaticContact CD2-CZ 3.55Å; F328-Y335 HydrophobicContact CE2-CD2 4.3Å; F328-Y335 AromaticContact CE2-CE2 3.79Å; F328-Y335 HydrophobicContact CE2-CE2 3.79Å; F328-Y335 HydrophobicContact CG-CE1 4.22Å; F328-Y335 HydrophobicContact CG-CE2 4.19Å; F328-Y335 AromaticContact CG-CZ 3.95Å |
| 329 | D | 73.7 | Confident | 78.9 | Confident | 60 Ų | 60 | 81.2 Ų | 81.2 | 32% | 0.321 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 112.2 | 168.4 | 178.4 | -4.5 | 0 | 0 | 0 | 109.2 | K331 S332 G333 T334 | D329-K331 PolarHBondContact O-N 3.15Å; D329-K331 WeakPolarHBondContact OD1-CB 3.1Å; D329-K331 PolarHBondContact OD1-N 2.81Å; D329-S332 WeakPolarHBondContact CB-OG 3.47Å; D329-S332 PolarHBondContact O-N 2.74Å; D329-S332 PolarHBondContact O-OG 2.79Å; D329-G333 WeakPolarHBondContact O-CA 3.39Å; D329-G333 PolarHBondContact O-N 3.17Å; D329-T334 PolarHBondContact N-O 2.88Å |
| 330 | E | 65 | Low | 79.1 | Confident | 175 Ų | 175 | 75.8 Ų | 75.8 | 82% | 0.818 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -20.3 | -179.9 | -62.8 | -173.1 | 153.9 | 0 | 0 | 113.3 | F328 | F328-E330 HydrophobicContact CD1-CG 4.05Å; F328-E330 HydrophobicContact CE1-CB 4.47Å; F328-E330 HydrophobicContact CE1-CG 3.92Å |
| 331 | K | 66.2 | Low | 79.1 | Confident | 199 Ų | 199 | 72.2 Ų | 72.2 | 87% | 0.865 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -32.8 | -178.8 | -64.3 | -180 | 178.7 | 176.1 | 0 | 113.2 | D329 | D329-K331 PolarHBondContact O-N 3.15Å; D329-K331 WeakPolarHBondContact OD1-CB 3.1Å; D329-K331 PolarHBondContact OD1-N 2.81Å |
| 332 | S | 72.4 | Confident | 79 | Confident | 57 Ų | 57 | 72.6 Ų | 72.6 | 40% | 0.399 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -25.1 | 175.3 | 63.4 | 0 | 0 | 0 | 0 | 112.5 | D329 T334 | D329-S332 WeakPolarHBondContact CB-OG 3.47Å; D329-S332 PolarHBondContact O-N 2.74Å; D329-S332 PolarHBondContact O-OG 2.79Å; S332-T334 VanDerWaalsContact C-N 3.32Å; S332-T334 PolarHBondContact OG-N 2.82Å; S332-T334 PolarHBondContact OG-OG1 2.61Å |
| 333 | G | 68.7 | Low | 78.2 | Confident | 2 Ų | 2 | 66.5 Ų | 66.5 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 29.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113 | V302 Q303 G304 D329 | V302-G333 CarbonylContact C-O 3.58Å; V302-G333 WeakPolarHBondContact CG2-O 3.5Å; V302-G333 PolarHBondContact N-O 3.05Å; Q303-G333 PolarHBondContact N-O 3.32Å; G304-G333 PolarHBondContact N-O 2.81Å; D329-G333 WeakPolarHBondContact O-CA 3.39Å; D329-G333 PolarHBondContact O-N 3.17Å |
| 334 | T | 82.5 | Confident | 76.8 | Confident | 18 Ų | 18 | 71 Ų | 71 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 155.1 | -177.5 | 68 | 0 | 0 | 0 | 0 | 112.4 | V300 D301 D329 S332 | V300-T334 CarbonylContact O-C 3.5Å; V300-T334 WeakPolarHBondContact O-CA 3.39Å; D301-T334 HydrophobicContact CB-CG2 3.94Å; D329-T334 PolarHBondContact N-O 2.88Å; S332-T334 VanDerWaalsContact C-N 3.32Å; S332-T334 PolarHBondContact OG-N 2.82Å; S332-T334 PolarHBondContact OG-OG1 2.61Å |
| 335 | Y | 82.5 | Confident | 75.7 | Confident | 31 Ų | 31 | 66.3 Ų | 66.3 | 12% | 0.122 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 131.2 | 168.9 | -64.4 | -109.6 | 0 | 0 | 0 | 109.9 | N299 V300 V302 G307 V309 L326 T327 F328 | N299-Y335 CarbonylContact C-O 3.41Å; N299-Y335 WeakPolarHBondContact CA-O 3.44Å; V300-Y335 PolarHBondContact N-O 2.99Å; V300-Y335 PolarHBondContact O-N 2.95Å; V302-Y335 HydrophobicContact CG1-CD2 4.09Å; V302-Y335 HydrophobicContact CG1-CE2 4.05Å; V302-Y335 HydrophobicContact CG2-CD2 4.19Å; V302-Y335 HydrophobicContact CG2-CE2 3.81Å; G307-Y335 PolarHBondContact O-OH 3.41Å; V309-Y335 HydrophobicContact CB-CD1 4.02Å; V309-Y335 HydrophobicContact CB-CD2 4.22Å; V309-Y335 HydrophobicContact CB-CE1 4Å; V309-Y335 HydrophobicContact CB-CE2 4.23Å; V309-Y335 HydrophobicContact CB-CG 4.14Å; V309-Y335 HydrophobicContact CG1-CD1 4.36Å; V309-Y335 HydrophobicContact CG1-CG 4.25Å; V309-Y335 HydrophobicContact CG2-CD1 4.33Å; V309-Y335 HydrophobicContact CG2-CD2 3.65Å; V309-Y335 HydrophobicContact CG2-CE1 4.22Å; V309-Y335 HydrophobicContact CG2-CE2 3.54Å; V309-Y335 HydrophobicContact CG2-CG 4.08Å; L326-Y335 HydrophobicContact CD1-CD1 4.04Å; T327-Y335 WeakPolarHBondContact O-CA 3.47Å; F328-Y335 HydrophobicContact CB-CD1 3.96Å; F328-Y335 HydrophobicContact CB-CE1 3.71Å; F328-Y335 HydrophobicContact CB-CE2 4.49Å; F328-Y335 HydrophobicContact CB-CG 4.45Å; F328-Y335 HydrophobicContact CD2-CD1 4.37Å; F328-Y335 AromaticContact CD2-CD2 3.67Å; F328-Y335 HydrophobicContact CD2-CD2 3.67Å; F328-Y335 HydrophobicContact CD2-CE1 4.11Å; F328-Y335 AromaticContact CD2-CE2 3.32Å; F328-Y335 HydrophobicContact CD2-CE2 3.32Å; F328-Y335 HydrophobicContact CD2-CG 4.16Å; F328-Y335 AromaticContact CD2-CZ 3.55Å; F328-Y335 HydrophobicContact CE2-CD2 4.3Å; F328-Y335 AromaticContact CE2-CE2 3.79Å; F328-Y335 HydrophobicContact CE2-CE2 3.79Å; F328-Y335 HydrophobicContact CG-CE1 4.22Å; F328-Y335 HydrophobicContact CG-CE2 4.19Å; F328-Y335 AromaticContact CG-CZ 3.95Å |
| 336 | M | 85.8 | Confident | 75.6 | Confident | 89 Ų | 89 | 61.9 Ų | 61.9 | 44% | 0.438 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 138.3 | 170.2 | -88 | -179.3 | -82.6 | 0 | 0 | 111.2 | N299 L326 T327 | N299-M336 WeakPolarHBondContact OD1-CG 3.38Å; L326-M336 WeakPolarHBondContact CA-O 3.48Å; T327-M336 PolarHBondContact N-O 2.8Å; T327-M336 PolarHBondContact O-N 3.18Å |
| 337 | V | 90.7 | Very high | 75.6 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 138 | -175.4 | -165 | 0 | 0 | 0 | 0 | 112 | G297 F298 V300 V311 P323 R325 L326 | G297-V337 VanDerWaalsContact CA-O 3.26Å; G297-V337 WeakPolarHBondContact CA-O 3.46Å; F298-V337 HydrophobicContact CD1-CB 4.31Å; F298-V337 HydrophobicContact CD1-CG1 4.45Å; F298-V337 HydrophobicContact CD2-CB 4.02Å; F298-V337 HydrophobicContact CD2-CG2 4.11Å; F298-V337 HydrophobicContact CE1-CB 4.05Å; F298-V337 HydrophobicContact CE1-CG1 3.76Å; F298-V337 HydrophobicContact CE2-CB 3.75Å; F298-V337 HydrophobicContact CE2-CG1 3.98Å; F298-V337 HydrophobicContact CE2-CG2 3.7Å; F298-V337 HydrophobicContact CG-CB 4.3Å; F298-V337 HydrophobicContact CZ-CB 3.79Å; F298-V337 HydrophobicContact CZ-CG1 3.52Å; F298-V337 HydrophobicContact CZ-CG2 4.13Å; F298-V337 PolarHBondContact N-O 2.88Å; F298-V337 WeakPolarHBondContact O-CA 3.31Å; F298-V337 WeakPolarHBondContact O-CB 3.49Å; F298-V337 PolarHBondContact O-N 3.37Å; F298-V337 VanDerWaalsContact O-O 3.11Å; V300-V337 HydrophobicContact CG2-CG2 3.93Å; V311-V337 HydrophobicContact CB-CG1 4.41Å; V311-V337 HydrophobicContact CG1-CG1 4.05Å; V311-V337 HydrophobicContact CG2-CG1 4.18Å; V311-V337 HydrophobicContact CG2-CG2 4.23Å; P323-V337 HydrophobicContact CB-CG1 3.64Å; P323-V337 HydrophobicContact CG-CG1 3.94Å; R325-V337 WeakPolarHBondContact O-CA 3.27Å; L326-V337 HydrophobicContact CD1-CG2 3.92Å |
| 338 | Q | 85.8 | Confident | 76 | Confident | 79 Ų | 79 | 59.1 Ų | 59.1 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 139.4 | 179.1 | -60.9 | -178.8 | -53.9 | 0 | 0 | 112.3 | P323 T324 R325 | P323-Q338 CarbonylContact C-O 3.53Å; P323-Q338 VanDerWaalsContact CB-O 3.27Å; P323-Q338 WeakPolarHBondContact CB-O 3.37Å; T324-Q338 PolarHBondContact N-O 2.77Å; R325-Q338 PolarHBondContact O-N 3.28Å |
| 339 | Y | 88.2 | Confident | 76.6 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 2% | 0.02 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 175.4 | 177.1 | 79.6 | -86.2 | 0 | 0 | 0 | 112.8 | G285 I290 Q295 V296 F298 I313 P341 V349 | G285-Y339 WeakPolarHBondContact O-CE1 3.36Å; G285-Y339 PolarHBondContact O-OH 3.34Å; I290-Y339 VanDerWaalsContact CD1-OH 3.23Å; I290-Y339 WeakPolarHBondContact CD1-OH 3.18Å; Q295-Y339 WeakPolarHBondContact CA-O 3.42Å; V296-Y339 HydrophobicContact CG2-CD1 4Å; V296-Y339 HydrophobicContact CG2-CD2 4.25Å; V296-Y339 HydrophobicContact CG2-CE1 3.57Å; V296-Y339 HydrophobicContact CG2-CE2 3.84Å; V296-Y339 HydrophobicContact CG2-CG 4.32Å; V296-Y339 VanDerWaalsContact CG2-CZ 3.47Å; V296-Y339 PolarHBondContact N-O 2.88Å; V296-Y339 PolarHBondContact O-N 3.22Å; V296-Y339 VanDerWaalsContact O-O 3.05Å; F298-Y339 HydrophobicContact CD1-CD1 4.49Å; F298-Y339 HydrophobicContact CD1-CE1 4.27Å; F298-Y339 HydrophobicContact CE1-CD1 4.08Å; F298-Y339 HydrophobicContact CE1-CE1 4.02Å; I313-Y339 HydrophobicContact CB-CD2 4.37Å; I313-Y339 HydrophobicContact CD1-CD1 4.4Å; I313-Y339 HydrophobicContact CD1-CD2 4.41Å; I313-Y339 HydrophobicContact CD1-CG 3.95Å; I313-Y339 HydrophobicContact CG1-CD1 4.12Å; I313-Y339 HydrophobicContact CG1-CD2 3.79Å; I313-Y339 HydrophobicContact CG1-CE2 4.25Å; I313-Y339 HydrophobicContact CG1-CG 3.73Å; I313-Y339 HydrophobicContact CG2-CD2 3.87Å; I313-Y339 HydrophobicContact CG2-CE2 3.89Å; Y339-P341 HydrophobicContact CE2-CB 4.13Å; Y339-P341 HydrophobicContact CE2-CG 4.21Å; Y339-V349 HydrophobicContact CE1-CG2 3.78Å; Y339-V349 HydrophobicContact CE2-CG2 4.23Å; Y339-V349 WeakPolarHBondContact OH-CG2 3.31Å |
| 340 | T | 79.5 | Confident | 77.4 | Confident | 43 Ų | 43 | 53.5 Ų | 53.5 | 26% | 0.264 | 27% | 0.271 | S | S | . | . | trans | -138.8 | 117.4 | 176.1 | -59.7 | 0 | 0 | 0 | 0 | 110.6 | E293 Q295 | E293-T340 WeakPolarHBondContact O-CG2 3.28Å; Q295-T340 WeakPolarHBondContact CA-OG1 3.45Å | ||
| 341 | P | 78.8 | Confident | 78.6 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.019 | 23% | 0.232 | C | C | . | . | trans | -81 | 138.9 | 177.6 | 32.8 | -32.7 | 0 | 0 | 0 | 111.6 | I290 P291 E293 E294 Y339 | I290-P341 HydrophobicContact CD1-CG 4.05Å; P291-P341 WeakPolarHBondContact O-CG 3.42Å; E293-P341 WeakPolarHBondContact CA-O 3.4Å; E293-P341 PolarHBondContact N-O 2.97Å; E294-P341 WeakPolarHBondContact O-CD 3.22Å; Y339-P341 HydrophobicContact CE2-CB 4.13Å; Y339-P341 HydrophobicContact CE2-CG 4.21Å | ||
| 342 | K | 75.4 | Confident | 79.5 | Confident | 115 Ų | 115 | 39.5 Ų | 39.5 | 50% | 0.5 | 21% | 0.206 | S | C | . | . | trans | -124.6 | 11.5 | -169.8 | -61.2 | 173.8 | -170.8 | 151 | 0 | 115.3 | E321 | E321-K342 IonicContact OE2-NZ 3.71Š| ||
| 343 | V | 66.5 | Low | 79.8 | Confident | 31 Ų | 31 | 37 Ų | 37 | 19% | 0.188 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -139.9 | 149.4 | -172.9 | -174.1 | 0 | 0 | 0 | 0 | 111.5 | D315 P316 L317 H347 | D315-V343 HydrophobicContact CB-CG2 4.31Å; D315-V343 WeakPolarHBondContact OD2-CG2 3.29Å; P316-V343 HydrophobicContact CB-CG1 4.42Å; P316-V343 HydrophobicContact CG-CB 4.31Å; P316-V343 HydrophobicContact CG-CG1 3.93Å; L317-V343 HydrophobicContact CG-CG1 4.44Å; V343-H347 PolarHBondContact O-CE1 2.91Å |
| 344 | I | 53.9 | Low | 80.1 | Confident | 114 Ų | 114 | 39.8 Ų | 39.8 | 59% | 0.585 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -89.4 | 131.5 | 171.4 | -54.1 | -177.2 | 0 | 0 | 0 | 109.3 | I292 V367 | I292-I344 HydrophobicContact CD1-CG1 3.68Å; I344-V367 HydrophobicContact CB-CG1 4.38Å; I344-V367 HydrophobicContact CG1-CG1 4.41Å; I344-V367 HydrophobicContact CG2-CG1 4.14Å |
| 345 | G | 56.1 | Low | 79.5 | Confident | 11 Ų | 11 | 40.8 Ų | 40.8 | 11% | 0.113 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 128.5 | 160.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | P316 H347 V367 | P316-G345 WeakPolarHBondContact CG-O 3.48Å; G345-H347 PolarHBondContact O-N 3.28Å; G345-H347 PolarHBondContact O-ND1 2.92Å; G345-V367 CarbonylContact C-O 3.55Å; G345-V367 WeakPolarHBondContact CA-O 3.48Å; G345-V367 PolarHBondContact N-O 2.96Å; G345-V367 VanDerWaalsContact O-CB 3.28Å; G345-V367 WeakPolarHBondContact O-CB 3.45Å; G345-V367 WeakPolarHBondContact O-CG2 3.42Å |
| 346 | S | 78.9 | Confident | 79.2 | Confident | 57 Ų | 57 | 47.7 Ų | 47.7 | 40% | 0.399 | 24% | 0.242 | S | C | . | . | trans | -64.7 | 122.5 | -176.3 | -158.4 | 0 | 0 | 0 | 0 | 110.9 | V367 | S346-V367 PolarHBondContact N-O 2.95Å; S346-V367 VanDerWaalsContact N-O 3.09Å | ||
| 347 | H | 83.3 | Confident | 78.9 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 162.3 | 168.5 | -78.7 | 58.1 | 0 | 0 | 0 | 109.8 | T314 V343 G345 V365 | T314-H347 CarbonylContact O-C 3.52Å; T314-H347 VanDerWaalsContact O-CA 3.31Å; T314-H347 WeakPolarHBondContact O-CA 3.37Å; V343-H347 PolarHBondContact O-CE1 2.91Å; G345-H347 PolarHBondContact O-N 3.28Å; G345-H347 PolarHBondContact O-ND1 2.92Å; H347-V365 HydrophobicContact CB-CG2 3.5Å; H347-V365 PolarHBondContact N-O 3.2Å; H347-V365 PolarHBondContact O-N 3.13Å |
| 348 | Q | 85.5 | Confident | 78.7 | Confident | 74 Ų | 74 | 46.6 Ų | 46.6 | 35% | 0.346 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 117.8 | 164 | -85.7 | -172.2 | -9.2 | 0 | 0 | 110.2 | I313 T314 P362 N364 | I313-Q348 WeakPolarHBondContact CA-O 3.47Å; T314-Q348 PolarHBondContact N-O 2.87Å; T314-Q348 PolarHBondContact O-N 2.89Å; Q348-P362 HydrophobicContact CB-CB 4.16Å; Q348-P362 HydrophobicContact CG-CB 4.12Å; Q348-P362 HydrophobicContact CG-CG 4.3Å; Q348-N364 VanDerWaalsContact CG-OD1 3.26Å; Q348-N364 WeakPolarHBondContact CG-OD1 3.21Å; Q348-N364 PolarHBondContact NE2-OD1 2.82Å |
| 349 | V | 89.7 | Confident | 78.4 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 99.3 | 165.5 | 179.6 | 0 | 0 | 0 | 0 | 107.7 | L286 F298 V311 F312 I313 Y339 V351 P362 F363 V365 | L286-V349 HydrophobicContact CD2-CB 4.03Å; L286-V349 HydrophobicContact CD2-CG1 3.71Å; F298-V349 HydrophobicContact CE1-CG1 3.63Å; F298-V349 HydrophobicContact CZ-CG1 3.66Å; V311-V349 HydrophobicContact CG1-CG1 4.45Å; F312-V349 CarbonylContact O-C 3.31Å; I313-V349 HydrophobicContact CG1-CG2 4.17Å; I313-V349 HydrophobicContact CG2-CG2 4.37Å; Y339-V349 HydrophobicContact CE1-CG2 3.78Å; Y339-V349 HydrophobicContact CE2-CG2 4.23Å; Y339-V349 WeakPolarHBondContact OH-CG2 3.31Å; V349-V351 HydrophobicContact CG1-CG2 4.11Å; V349-P362 WeakPolarHBondContact O-CA 3.5Å; V349-F363 HydrophobicContact CB-CB 4.32Å; V349-F363 PolarHBondContact N-O 2.6Å; V349-F363 PolarHBondContact O-N 3.16Å; V349-V365 HydrophobicContact CG2-CG2 3.84Å |
| 350 | T | 89.1 | Confident | 78 | Confident | 15 Ų | 15 | 52.3 Ų | 52.3 | 9% | 0.092 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 113.2 | 175.8 | -55.7 | 0 | 0 | 0 | 0 | 108.8 | V311 F312 R352 N357 | V311-T350 CarbonylContact C-O 3.54Å; V311-T350 VanDerWaalsContact CA-O 3.3Å; V311-T350 WeakPolarHBondContact CA-O 3.43Å; F312-T350 PolarHBondContact N-O 3.12Å; F312-T350 PolarHBondContact O-N 3.22Å; T350-R352 HydrophobicContact CG2-CG 4.23Å; T350-N357 WeakPolarHBondContact CG2-OD1 3.45Å |
| 351 | V | 90.6 | Very high | 78.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 131.5 | 169.8 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | F298 V300 V311 V349 N357 I358 S361 F363 | F298-V351 HydrophobicContact CE2-CG2 3.46Å; F298-V351 VanDerWaalsContact CE2-CG2 3.46Å; F298-V351 HydrophobicContact CZ-CG2 3.59Å; V300-V351 HydrophobicContact CG1-CG1 4.07Å; V300-V351 HydrophobicContact CG2-CG1 3.69Å; V311-V351 HydrophobicContact CG2-CG1 4.2Å; V311-V351 HydrophobicContact CG2-CG2 4.27Å; V349-V351 HydrophobicContact CG1-CG2 4.11Å; V351-N357 WeakPolarHBondContact O-CA 3.4Å; V351-I358 HydrophobicContact CB-CD1 3.72Å; V351-I358 HydrophobicContact CB-CG1 3.87Å; V351-I358 HydrophobicContact CG1-CD1 3.43Å; V351-I358 VanDerWaalsContact CG1-CD1 3.43Å; V351-I358 HydrophobicContact CG1-CG1 3.93Å; V351-I358 PolarHBondContact O-N 2.8Å; V351-S361 PolarHBondContact N-OG 3.25Å; V351-S361 VanDerWaalsContact O-CB 3.22Å; V351-S361 WeakPolarHBondContact O-CB 3.04Å; V351-S361 PolarHBondContact O-OG 2.61Å; V351-F363 HydrophobicContact CG2-CD2 4.4Å; V351-F363 HydrophobicContact CG2-CE2 4.24Å |
| 352 | R | 86.4 | Confident | 78.6 | Confident | 80 Ų | 80 | 52.5 Ų | 52.5 | 30% | 0.302 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 155.9 | 177 | -69.6 | 166.3 | 177.8 | 172.3 | 0 | 111.3 | V309 E310 T350 G355 R356 N357 | V309-R352 VanDerWaalsContact CA-O 3.32Å; V309-R352 WeakPolarHBondContact CA-O 3.37Å; E310-R352 HydrophobicContact CB-CB 4.15Å; E310-R352 PolarHBondContact N-O 2.74Å; E310-R352 PolarHBondContact O-N 2.83Å; E310-R352 WeakPolarHBondContact OE2-CD 3.48Å; E310-R352 IonicContact OE2-CZ 2.74Å; E310-R352 IonicContact OE2-NE 2.97Å; E310-R352 IonicContact OE2-NH1 2.74Å; E310-R352 PolarHBondContact OE2-NH1 2.81Å; T350-R352 HydrophobicContact CG2-CG 4.23Å; R352-G355 WeakPolarHBondContact CD-O 3.37Å; R352-R356 CarbonylContact C-O 3.51Å; R352-R356 WeakPolarHBondContact CA-O 3.42Å; R352-N357 VanDerWaalsContact CG-OD1 3.25Å; R352-N357 WeakPolarHBondContact CG-OD1 3.43Å; R352-N357 PolarHBondContact NE-OD1 3.29Å |
| 353 | Y | 78.6 | Confident | 79 | Confident | 5 Ų | 5 | 47.8 Ų | 47.8 | 2% | 0.02 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 126.4 | 165.5 | 179.1 | -97.4 | 0 | 0 | 0 | 107.8 | L274 V279 V302 R305 D308 V309 G355 R356 | L274-Y353 HydrophobicContact CB-CE1 4.39Å; L274-Y353 VanDerWaalsContact O-CD1 3.32Å; L274-Y353 WeakPolarHBondContact O-CD1 3.18Å; L274-Y353 WeakPolarHBondContact O-CE1 3.41Å; V279-Y353 HydrophobicContact CG2-CD1 3.85Å; V279-Y353 HydrophobicContact CG2-CD2 4.08Å; V279-Y353 HydrophobicContact CG2-CE1 4.29Å; V279-Y353 HydrophobicContact CG2-CE2 4.49Å; V279-Y353 HydrophobicContact CG2-CG 3.71Å; V302-Y353 HydrophobicContact CB-CD2 4.47Å; V302-Y353 HydrophobicContact CB-CE2 3.92Å; V302-Y353 HydrophobicContact CG1-CD2 3.66Å; V302-Y353 HydrophobicContact CG1-CE2 3.59Å; R305-Y353 PolarHBondContact O-OH 2.82Å; D308-Y353 CarbonylContact O-C 3.58Å; D308-Y353 VanDerWaalsContact O-CA 3.27Å; D308-Y353 WeakPolarHBondContact O-CA 3.42Å; V309-Y353 HydrophobicContact CG2-CD2 3.82Å; Y353-G355 VanDerWaalsContact C-N 3.29Å; Y353-G355 PolarHBondContact O-N 3.16Å; Y353-R356 PolarHBondContact N-O 2.99Å; Y353-R356 PolarHBondContact O-N 2.83Å |
| 354 | N | 73.7 | Confident | 79.7 | Confident | 59 Ų | 59 | 50.9 Ų | 50.9 | 32% | 0.316 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48 | 50.3 | -170.3 | -65.4 | -6 | 0 | 0 | 0 | 111.8 | E273 G307 D308 R356 | E273-N354 PolarHBondContact OE1-ND2 2.83Å; E273-N354 VanDerWaalsContact OE1-ND2 3.14Å; G307-N354 WeakPolarHBondContact CA-OD1 3.37Å; D308-N354 PolarHBondContact N-OD1 3.46Å; D308-N354 PolarHBondContact O-N 3.36Å; N354-R356 PolarHBondContact O-N 3.49Å |
| 355 | G | 69.4 | Low | 80.8 | Confident | 39 Ų | 39 | 45.4 Ų | 45.4 | 40% | 0.402 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | -8.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | R352 Y353 | R352-G355 WeakPolarHBondContact CD-O 3.37Å; Y353-G355 VanDerWaalsContact C-N 3.29Å; Y353-G355 PolarHBondContact O-N 3.16Å |
| 356 | R | 77.1 | Confident | 81.4 | Confident | 177 Ų | 177 | 50.6 Ų | 50.6 | 67% | 0.668 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 136.3 | -177.5 | -66.8 | -178.7 | 178.7 | -169.8 | 0.3 | 111.3 | P276 R352 Y353 N354 I358 | P276-R356 HydrophobicContact CB-CB 4.31Å; P276-R356 HydrophobicContact CG-CB 3.63Å; R352-R356 CarbonylContact C-O 3.51Å; R352-R356 WeakPolarHBondContact CA-O 3.42Å; Y353-R356 PolarHBondContact N-O 2.99Å; Y353-R356 PolarHBondContact O-N 2.83Å; N354-R356 PolarHBondContact O-N 3.49Å; R356-I358 PolarHBondContact O-N 2.85Å |
| 357 | N | 79.7 | Confident | 80.5 | Confident | 61 Ų | 61 | 48.7 Ų | 48.7 | 33% | 0.326 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 134.9 | 175.9 | -75.9 | 17.2 | 0 | 0 | 0 | 111.2 | P276 T350 V351 R352 S361 P362 | P276-N357 VanDerWaalsContact CB-O 3.22Å; P276-N357 WeakPolarHBondContact CB-O 3.4Å; T350-N357 WeakPolarHBondContact CG2-OD1 3.45Å; V351-N357 WeakPolarHBondContact O-CA 3.4Å; R352-N357 VanDerWaalsContact CG-OD1 3.25Å; R352-N357 WeakPolarHBondContact CG-OD1 3.43Å; R352-N357 PolarHBondContact NE-OD1 3.29Å; N357-S361 WeakPolarHBondContact CB-O 3.47Å; N357-S361 PolarHBondContact ND2-O 2.82Å; N357-P362 WeakPolarHBondContact ND2-CD 3.48Å |
| 358 | I | 86.9 | Confident | 79.2 | Confident | 7 Ų | 7 | 51.4 Ų | 51.4 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | trans | -79.6 | 178.7 | 179.8 | 66.4 | 164.6 | 0 | 0 | 0 | 113 | P276 V279 A281 V300 V351 R356 K360 S361 F363 | P276-I358 HydrophobicContact CB-CB 4.5Å; P276-I358 HydrophobicContact CB-CG2 4.27Å; P276-I358 CarbonylContact O-C 3.53Å; P276-I358 VanDerWaalsContact O-C 3.3Å; P276-I358 WeakPolarHBondContact O-CA 3.44Å; P276-I358 VanDerWaalsContact O-CB 3.25Å; P276-I358 WeakPolarHBondContact O-CB 3.45Å; V279-I358 HydrophobicContact CB-CB 4.24Å; V279-I358 HydrophobicContact CB-CG2 3.81Å; V279-I358 HydrophobicContact CG1-CB 4.21Å; V279-I358 HydrophobicContact CG1-CD1 4.28Å; V279-I358 HydrophobicContact CG1-CG2 3.6Å; A281-I358 HydrophobicContact CB-CD1 3.29Å; V300-I358 HydrophobicContact CG1-CD1 4.34Å; V351-I358 HydrophobicContact CB-CD1 3.72Å; V351-I358 HydrophobicContact CB-CG1 3.87Å; V351-I358 HydrophobicContact CG1-CD1 3.43Å; V351-I358 VanDerWaalsContact CG1-CD1 3.43Å; V351-I358 HydrophobicContact CG1-CG1 3.93Å; V351-I358 PolarHBondContact O-N 2.8Å; R356-I358 PolarHBondContact O-N 2.85Å; I358-K360 PolarHBondContact O-N 2.76Å; I358-S361 VanDerWaalsContact O-CB 3.29Å; I358-S361 WeakPolarHBondContact O-CB 3.33Å; I358-S361 PolarHBondContact O-N 3.3Å; I358-F363 HydrophobicContact CD1-CE2 4.32Å; I358-F363 HydrophobicContact CG1-CE2 4.44Å | ||
| 359 | A | 78.2 | Confident | 76.4 | Confident | 31 Ų | 31 | 52.9 Ų | 52.9 | 26% | 0.256 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | 125.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P276 S361 F363 | P276-A359 PolarHBondContact O-N 3.11Å; A359-S361 PolarHBondContact O-N 3.15Å; A359-F363 WeakPolarHBondContact O-CZ 3.15Å |
| 360 | K | 80.3 | Confident | 73.5 | Confident | 173 Ų | 173 | 58.5 Ų | 58.5 | 75% | 0.752 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 5.6 | -176.8 | -50.5 | 170.6 | -177 | 173.7 | 0 | 116.1 | I358 P362 F363 | I358-K360 PolarHBondContact O-N 2.76Å; K360-P362 CarbonylContact O-C 3.59Å; K360-P362 VanDerWaalsContact O-C 3.31Å; K360-F363 HydrophobicContact CB-CD1 3.96Å; K360-F363 HydrophobicContact CB-CE1 3.45Å; K360-F363 VanDerWaalsContact CB-CE1 3.45Å; K360-F363 HydrophobicContact CB-CZ 3.78Å; K360-F363 HydrophobicContact CD-CE1 4.09Å; K360-F363 HydrophobicContact CG-CE1 4.42Å; K360-F363 PolarHBondContact O-N 3.04Å |
| 361 | S | 87.3 | Confident | 70.5 | Confident | 17 Ų | 17 | 67.9 Ų | 67.9 | 12% | 0.119 | 35% | 0.345 | C | S | . | . | trans | -87.7 | 136.4 | 175.1 | 179.2 | 0 | 0 | 0 | 0 | 112.3 | V351 N357 I358 A359 | V351-S361 PolarHBondContact N-OG 3.25Å; V351-S361 VanDerWaalsContact O-CB 3.22Å; V351-S361 WeakPolarHBondContact O-CB 3.04Å; V351-S361 PolarHBondContact O-OG 2.61Å; N357-S361 WeakPolarHBondContact CB-O 3.47Å; N357-S361 PolarHBondContact ND2-O 2.82Å; I358-S361 VanDerWaalsContact O-CB 3.29Å; I358-S361 WeakPolarHBondContact O-CB 3.33Å; I358-S361 PolarHBondContact O-N 3.3Å; A359-S361 PolarHBondContact O-N 3.15Å | ||
| 362 | P | 83.3 | Confident | 67.6 | Low | 33 Ų | 33 | 72 Ų | 72 | 21% | 0.214 | 38% | 0.379 | C | S | . | . | S | Bend | cis | -77 | 135.4 | 1.3 | 34.3 | -31.7 | 0 | 0 | 0 | 110.2 | Q348 V349 N357 K360 N364 | Q348-P362 HydrophobicContact CB-CB 4.16Å; Q348-P362 HydrophobicContact CG-CB 4.12Å; Q348-P362 HydrophobicContact CG-CG 4.3Å; V349-P362 WeakPolarHBondContact O-CA 3.5Å; N357-P362 WeakPolarHBondContact ND2-CD 3.48Å; K360-P362 CarbonylContact O-C 3.59Å; K360-P362 VanDerWaalsContact O-C 3.31Å; P362-N364 PolarHBondContact O-N 3.31Å; P362-N364 PolarHBondContact O-ND2 2.94Å |
| 363 | F | 85 | Confident | 65.1 | Low | 17 Ų | 17 | 73.4 Ų | 73.4 | 8% | 0.075 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 107.9 | 177.3 | -64.8 | -101.3 | 0 | 0 | 0 | 107.5 | A281 L286 V349 V351 I358 A359 K360 V365 | A281-F363 HydrophobicContact CB-CE2 4.04Å; A281-F363 HydrophobicContact CB-CZ 3.87Å; L286-F363 HydrophobicContact CB-CB 4.49Å; L286-F363 HydrophobicContact CB-CD1 3.73Å; L286-F363 HydrophobicContact CB-CE1 4.12Å; L286-F363 HydrophobicContact CB-CG 4.15Å; L286-F363 HydrophobicContact CD1-CD1 4.15Å; L286-F363 HydrophobicContact CD1-CD2 4.39Å; L286-F363 HydrophobicContact CD1-CE1 3.85Å; L286-F363 HydrophobicContact CD1-CE2 4.14Å; L286-F363 HydrophobicContact CD1-CG 4.42Å; L286-F363 HydrophobicContact CD1-CZ 3.87Å; L286-F363 HydrophobicContact CD2-CB 3.98Å; L286-F363 HydrophobicContact CD2-CD1 4.15Å; L286-F363 HydrophobicContact CD2-CD2 3.8Å; L286-F363 HydrophobicContact CD2-CE2 4.32Å; L286-F363 HydrophobicContact CD2-CG 3.72Å; L286-F363 HydrophobicContact CG-CD1 4.22Å; L286-F363 HydrophobicContact CG-CE1 4.41Å; L286-F363 HydrophobicContact CG-CG 4.3Å; V349-F363 HydrophobicContact CB-CB 4.32Å; V349-F363 PolarHBondContact N-O 2.6Å; V349-F363 PolarHBondContact O-N 3.16Å; V351-F363 HydrophobicContact CG2-CD2 4.4Å; V351-F363 HydrophobicContact CG2-CE2 4.24Å; I358-F363 HydrophobicContact CD1-CE2 4.32Å; I358-F363 HydrophobicContact CG1-CE2 4.44Å; A359-F363 WeakPolarHBondContact O-CZ 3.15Å; K360-F363 HydrophobicContact CB-CD1 3.96Å; K360-F363 HydrophobicContact CB-CE1 3.45Å; K360-F363 VanDerWaalsContact CB-CE1 3.45Å; K360-F363 HydrophobicContact CB-CZ 3.78Å; K360-F363 HydrophobicContact CD-CE1 4.09Å; K360-F363 HydrophobicContact CG-CE1 4.42Å; K360-F363 PolarHBondContact O-N 3.04Å; F363-V365 VanDerWaalsContact C-N 3.25Å; F363-V365 WeakPolarHBondContact O-CG2 3.34Å; F363-V365 PolarHBondContact O-N 2.74Å |
| 364 | N | 81.2 | Confident | 64.6 | Low | 95 Ų | 95 | 76.4 Ų | 76.4 | 51% | 0.508 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 79.9 | 176.1 | -67.5 | -69.9 | 0 | 0 | 0 | 109.3 | Q348 P362 R366 | Q348-N364 VanDerWaalsContact CG-OD1 3.26Å; Q348-N364 WeakPolarHBondContact CG-OD1 3.21Å; Q348-N364 PolarHBondContact NE2-OD1 2.82Å; P362-N364 PolarHBondContact O-N 3.31Å; P362-N364 PolarHBondContact O-ND2 2.94Å; N364-R366 PolarHBondContact O-N 2.73Å |
| 365 | V | 75.8 | Confident | 64.2 | Low | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 109.9 | 175.8 | -86.7 | 0 | 0 | 0 | 0 | 109.5 | S287 I290 H347 V349 F363 | S287-V365 VanDerWaalsContact O-CG1 3.29Å; S287-V365 WeakPolarHBondContact O-CG1 3.32Å; I290-V365 HydrophobicContact CD1-CB 3.61Å; I290-V365 HydrophobicContact CD1-CG1 3.76Å; I290-V365 HydrophobicContact CD1-CG2 4.08Å; I290-V365 HydrophobicContact CG1-CB 3.94Å; I290-V365 HydrophobicContact CG1-CG1 4.26Å; I290-V365 HydrophobicContact CG2-CG1 4.31Å; H347-V365 HydrophobicContact CB-CG2 3.5Å; H347-V365 PolarHBondContact N-O 3.2Å; H347-V365 PolarHBondContact O-N 3.13Å; V349-V365 HydrophobicContact CG2-CG2 3.84Å; F363-V365 VanDerWaalsContact C-N 3.25Å; F363-V365 WeakPolarHBondContact O-CG2 3.34Å; F363-V365 PolarHBondContact O-N 2.74Å |
| 366 | R | 68.6 | Low | 64.4 | Low | 120 Ų | 120 | 87.1 Ų | 87.1 | 45% | 0.453 | 44% | 0.443 | S | S | . | . | B | Isolated β-bridge | trans | -90.6 | 119.4 | -168.8 | -150.1 | 178.7 | -148.4 | -120.6 | -3.3 | 112.3 | Q288 E289 N364 V368 | Q288-R366 WeakPolarHBondContact O-CB 3.2Å; Q288-R366 PolarHBondContact O-N 2.84Å; E289-R366 WeakPolarHBondContact CA-O 3.34Å; E289-R366 HydrophobicContact CG-CB 4.49Å; N364-R366 PolarHBondContact O-N 2.73Å; R366-V368 HydrophobicContact CB-CG2 4.44Å; R366-V368 HydrophobicContact CG-CG1 4.36Å; R366-V368 HydrophobicContact CG-CG2 4.16Å; R366-V368 VanDerWaalsContact NH1-CG1 3.3Å |
| 367 | V | 60.6 | Low | 64.5 | Low | 16 Ų | 16 | 79.7 Ų | 79.7 | 10% | 0.097 | 42% | 0.416 | C | S | . | . | trans | -109.4 | 136.2 | 155.9 | -146.1 | 0 | 0 | 0 | 0 | 104.6 | I344 G345 S346 | I344-V367 HydrophobicContact CB-CG1 4.38Å; I344-V367 HydrophobicContact CG1-CG1 4.41Å; I344-V367 HydrophobicContact CG2-CG1 4.14Å; G345-V367 CarbonylContact C-O 3.55Å; G345-V367 WeakPolarHBondContact CA-O 3.48Å; G345-V367 PolarHBondContact N-O 2.96Å; G345-V367 VanDerWaalsContact O-CB 3.28Å; G345-V367 WeakPolarHBondContact O-CB 3.45Å; G345-V367 WeakPolarHBondContact O-CG2 3.42Å; S346-V367 PolarHBondContact N-O 2.95Å; S346-V367 VanDerWaalsContact N-O 3.09Å | ||
| 368 | V | 55.8 | Low | 64.7 | Low | 61 Ų | 61 | 78.8 Ų | 78.8 | 37% | 0.37 | 41% | 0.414 | S | S | . | . | trans | -121.8 | 139.6 | -132.3 | -158.1 | 0 | 0 | 0 | 0 | 119.4 | E289 R366 | E289-V368 HydrophobicContact CG-CG2 4.46Å; R366-V368 HydrophobicContact CB-CG2 4.44Å; R366-V368 HydrophobicContact CG-CG1 4.36Å; R366-V368 HydrophobicContact CG-CG2 4.16Å; R366-V368 VanDerWaalsContact NH1-CG1 3.3Å | ||
| 369 | T | 27 | Very low | 64.7 | Low | 104 Ų | 104 | 78.7 Ų | 78.7 | 64% | 0.638 | 41% | 0.414 | S | S | * | . | trans | -171.9 | 169.6 | 168.2 | 8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 370 | P | 28.9 | Very low | 64.8 | Low | 119 Ų | 119 | 81 Ų | 81 | 77% | 0.773 | 43% | 0.428 | S | S | * | . | trans | -131.5 | -172 | 174.6 | 45.4 | -30.4 | 0 | 0 | 0 | 115.3 | ||||
| 371 | K | 26.1 | Very low | 65 | Low | 212 Ų | 212 | 73.8 Ų | 73.8 | 92% | 0.922 | 40% | 0.403 | S | S | * | . | cis | -154.8 | -157.5 | -6.6 | -135.1 | -169.3 | -179.9 | -167.3 | 0 | 112.7 | ||||
| 372 | A | 30 | Very low | 64.7 | Low | 86 Ų | 86 | 75 Ų | 75 | 71% | 0.711 | 41% | 0.411 | S | S | * | . | trans | -145.7 | -173.8 | -167.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 373 | D | 34.4 | Very low | 64.7 | Low | 109 Ų | 109 | 73.5 Ų | 73.5 | 58% | 0.583 | 40% | 0.401 | S | S | * | . | trans | -144.5 | 177.6 | -169.3 | 177.7 | 50.7 | 0 | 0 | 0 | 116.1 | K375 | D373-K375 PolarHBondContact OD2-N 2.94Š| ||
| 374 | I | 68.4 | Low | 64.7 | Low | 69 Ų | 69 | 73.9 Ų | 73.9 | 35% | 0.354 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -105.6 | -40.1 | -175.4 | -170.5 | 178.9 | 0 | 0 | 0 | 119.2 | Q376 M377 Y452 | I374-Q376 PolarHBondContact O-N 3.41Å; I374-M377 HydrophobicContact CG1-CE 3.87Å; I374-Y452 HydrophobicContact CD1-CD1 3.76Å; I374-Y452 HydrophobicContact CD1-CE1 3.58Å; I374-Y452 HydrophobicContact CG1-CD1 4.11Å; I374-Y452 HydrophobicContact CG1-CE1 3.81Å |
| 375 | K | 65.1 | Low | 64.5 | Low | 189 Ų | 189 | 77.3 Ų | 77.3 | 82% | 0.822 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -71.9 | 17.3 | -149.2 | -106 | -179.5 | -174.1 | 175.4 | 0 | 118.7 | D373 | D373-K375 PolarHBondContact OD2-N 2.94Š|
| 376 | Q | 72 | Confident | 64.2 | Low | 134 Ų | 134 | 81 Ų | 81 | 63% | 0.626 | 44% | 0.435 | S | S | * | . | trans | -120.4 | 20.3 | -154.8 | -67.9 | -76 | -16.9 | 0 | 0 | 113.6 | I374 F399 A401 | I374-Q376 PolarHBondContact O-N 3.41Å; Q376-F399 WeakPolarHBondContact O-CD1 3.5Å; Q376-F399 VanDerWaalsContact O-CE1 3.31Å; Q376-F399 WeakPolarHBondContact O-CE1 3.5Å; Q376-A401 HydrophobicContact CB-CB 3.31Å; Q376-A401 HydrophobicContact CG-CB 4.47Å | ||
| 377 | M | 80.5 | Confident | 64 | Low | 21 Ų | 21 | 78.5 Ų | 78.5 | 10% | 0.103 | 45% | 0.447 | C | S | . | . | trans | -95.2 | 151.6 | -168.8 | -60.2 | 168.6 | -177.3 | 0 | 0 | 114.5 | I374 F399 T400 F408 Y452 V457 S459 | I374-M377 HydrophobicContact CG1-CE 3.87Å; M377-F399 VanDerWaalsContact CA-O 3.24Å; M377-F399 WeakPolarHBondContact CA-O 3.34Å; M377-F399 VanDerWaalsContact CB-O 3.28Å; M377-F399 WeakPolarHBondContact CB-O 3.45Å; M377-T400 VanDerWaalsContact CE-O 3.3Å; M377-T400 WeakPolarHBondContact CE-O 3.31Å; M377-F408 HydrophobicContact CE-CZ 3.87Å; M377-F408 HydrophobicContact CG-CZ 4.35Å; M377-F408 HydrophobicContact SD-CE1 3.84Å; M377-F408 HydrophobicContact SD-CZ 3.69Å; M377-Y452 HydrophobicContact CE-CD1 3.8Å; M377-Y452 HydrophobicContact CE-CD2 3.72Å; M377-Y452 HydrophobicContact CE-CE1 3.79Å; M377-Y452 HydrophobicContact CE-CE2 3.64Å; M377-Y452 HydrophobicContact CE-CG 3.76Å; M377-Y452 HydrophobicContact SD-CD1 3.97Å; M377-Y452 HydrophobicContact SD-CD2 3.97Å; M377-Y452 HydrophobicContact SD-CE2 4.49Å; M377-Y452 HydrophobicContact SD-CG 3.63Å; M377-V457 HydrophobicContact CB-CG1 4.2Å; M377-S459 PolarHBondContact O-OG 2.86Å | ||
| 378 | S | 83.1 | Confident | 64.7 | Low | 41 Ų | 41 | 78.9 Ų | 78.9 | 29% | 0.287 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 172.3 | -178.8 | 65.9 | 0 | 0 | 0 | 0 | 114.2 | I398 F399 | S378-I398 CarbonylContact O-C 3.32Å; S378-I398 VanDerWaalsContact O-CA 3.26Å; S378-I398 WeakPolarHBondContact O-CA 3.44Å; S378-F399 PolarHBondContact N-O 2.83Å; S378-F399 PolarHBondContact O-N 3.24Å |
| 379 | V | 87.3 | Confident | 65.7 | Low | 5 Ų | 5 | 77.9 Ų | 77.9 | 3% | 0.03 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 138.3 | -173 | -170.5 | 0 | 0 | 0 | 0 | 113 | F396 D397 I398 V450 V457 N460 F464 | V379-F396 HydrophobicContact CG1-CD2 3.82Å; V379-F396 HydrophobicContact CG1-CE2 4.22Å; V379-D397 CarbonylContact C-O 3.54Å; V379-D397 VanDerWaalsContact CA-O 3.32Å; V379-D397 WeakPolarHBondContact CA-O 3.49Å; V379-I398 HydrophobicContact CG1-CG1 4.2Å; V379-I398 HydrophobicContact CG2-CG1 4.2Å; V379-I398 HydrophobicContact CG2-CG2 4.32Å; V379-V450 HydrophobicContact CG1-CG2 4.1Å; V379-V450 HydrophobicContact CG2-CB 4.14Å; V379-V450 HydrophobicContact CG2-CG1 4Å; V379-V450 HydrophobicContact CG2-CG2 4.15Å; V379-V457 HydrophobicContact CG2-CB 4.5Å; V379-V457 HydrophobicContact CG2-CG1 4.03Å; V379-N460 HydrophobicContact CB-CB 4.41Å; V379-N460 PolarHBondContact N-ND2 2.98Å; V379-N460 WeakPolarHBondContact O-CB 3.42Å; V379-N460 PolarHBondContact O-ND2 3.04Å; V379-F464 HydrophobicContact CG1-CE2 4.41Å |
| 380 | S | 81 | Confident | 68.1 | Low | 79 Ų | 79 | 75.1 Ų | 75.1 | 55% | 0.552 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 153.8 | 170.5 | 68.9 | 0 | 0 | 0 | 0 | 114.4 | D397 | S380-D397 PolarHBondContact N-O 2.91Å; S380-D397 PolarHBondContact O-N 3.42Å |
| 381 | G | 83.2 | Confident | 70.3 | Confident | 22 Ų | 22 | 71.6 Ų | 71.6 | 23% | 0.227 | 41% | 0.41 | C | S | . | . | trans | 169.5 | 175.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 382 | P | 81.5 | Confident | 72.8 | Confident | 44 Ų | 44 | 68.1 Ų | 68.1 | 29% | 0.286 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -68.9 | -31.8 | -178.3 | 26.4 | -34.2 | 0 | 0 | 0 | 114.5 | L384 Y395 | P382-L384 PolarHBondContact O-N 2.74Å; P382-Y395 WeakPolarHBondContact CD-O 3.22Å; P382-Y395 HydrophobicContact CG-CD1 3.87Å; P382-Y395 HydrophobicContact CG-CE1 3.56Å; P382-Y395 HydrophobicContact CG-CE2 4.24Å; P382-Y395 HydrophobicContact CG-CG 4.33Å; P382-Y395 WeakPolarHBondContact CG-O 3.3Å |
| 383 | G | 84.4 | Confident | 75.3 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -70.4 | 9.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | T394 Y395 Y438 I448 | G383-T394 VanDerWaalsContact CA-OG1 3.25Å; G383-T394 WeakPolarHBondContact CA-OG1 3.42Å; G383-T394 PolarHBondContact N-OG1 3.02Å; G383-Y395 PolarHBondContact N-O 3.27Å; G383-Y438 PolarHBondContact O-OH 2.85Å; G383-I448 VanDerWaalsContact O-CD1 3.26Å; G383-I448 WeakPolarHBondContact O-CD1 3.35Å |
| 384 | L | 84.5 | Confident | 77.8 | Confident | 25 Ų | 25 | 64.7 Ų | 64.7 | 13% | 0.131 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -110.6 | 24.2 | 179 | -51 | 179 | 0 | 0 | 0 | 111.5 | P382 F396 I448 F464 | P382-L384 PolarHBondContact O-N 2.74Å; L384-F396 HydrophobicContact CD1-CB 4.08Å; L384-F396 HydrophobicContact CD1-CG 4.36Å; L384-F396 HydrophobicContact CD2-CB 4.26Å; L384-F396 HydrophobicContact CD2-CD1 3.65Å; L384-F396 HydrophobicContact CD2-CE1 4.06Å; L384-F396 HydrophobicContact CD2-CG 3.91Å; L384-F396 HydrophobicContact CG-CB 4Å; L384-F396 HydrophobicContact CG-CD1 4.29Å; L384-F396 HydrophobicContact CG-CG 4.2Å; L384-I448 HydrophobicContact CD2-CB 4.35Å; L384-I448 HydrophobicContact CD2-CD1 3.8Å; L384-I448 HydrophobicContact CD2-CG2 3.96Å; L384-F464 HydrophobicContact CB-CB 4.48Å; L384-F464 HydrophobicContact CB-CD1 4.4Å; L384-F464 HydrophobicContact CB-CG 4.35Å; L384-F464 HydrophobicContact CD1-CD1 4.21Å; L384-F464 HydrophobicContact CD1-CD2 4.11Å; L384-F464 HydrophobicContact CD1-CE1 4.04Å; L384-F464 HydrophobicContact CD1-CE2 3.93Å; L384-F464 HydrophobicContact CD1-CG 4.25Å; L384-F464 HydrophobicContact CD1-CZ 3.89Å; L384-F464 HydrophobicContact CD2-CB 4.24Å; L384-F464 HydrophobicContact CD2-CD2 3.75Å; L384-F464 HydrophobicContact CD2-CE2 4.27Å; L384-F464 HydrophobicContact CD2-CG 4Å; L384-F464 HydrophobicContact CG-CD2 4.44Å; L384-F464 HydrophobicContact CG-CG 4.42Å |
| 385 | R | 77.1 | Confident | 78.9 | Confident | 167 Ų | 167 | 65.5 Ų | 65.5 | 63% | 0.63 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -138.9 | 133.8 | -174.4 | -67.1 | -174.1 | -76.1 | -148 | 0.2 | 111.9 | V466 | R385-V466 WeakPolarHBondContact O-CG1 3.48Š|
| 386 | S | 68.3 | Low | 80.1 | Confident | 78 Ų | 78 | 56.5 Ų | 56.5 | 55% | 0.545 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -59.2 | 149.7 | 174.3 | -63.7 | 0 | 0 | 0 | 0 | 112.9 | W467 | S386-W467 PolarHBondContact OG-N 2.96Š|
| 387 | G | 65.4 | Low | 80.9 | Confident | 68 Ų | 68 | 51.8 Ų | 51.8 | 70% | 0.701 | 31% | 0.311 | S | S | * | . | trans | 111.2 | 17.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | W467 | G387-W467 PolarHBondContact N-O 3.19Å; G387-W467 VanDerWaalsContact N-O 3.14Å | ||
| 388 | L | 75.9 | Confident | 81.1 | Confident | 23 Ų | 23 | 50.9 Ų | 50.9 | 12% | 0.12 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 161.1 | 171.4 | -60.4 | -178.5 | 0 | 0 | 0 | 110.6 | T394 Y438 P440 V466 W467 V468 A469 | L388-T394 HydrophobicContact CD1-CG2 4.02Å; L388-T394 HydrophobicContact CD2-CG2 4.18Å; L388-Y438 VanDerWaalsContact CD1-OH 3.24Å; L388-Y438 WeakPolarHBondContact CD1-OH 3.31Å; L388-P440 HydrophobicContact CB-CG 4.19Å; L388-P440 HydrophobicContact CD1-CG 4.01Å; L388-V466 HydrophobicContact CD1-CG1 3.55Å; L388-V466 HydrophobicContact CG-CG1 3.96Å; L388-W467 PolarHBondContact N-O 2.68Å; L388-V468 HydrophobicContact CB-CG1 4.32Å; L388-V468 HydrophobicContact CB-CG2 4.15Å; L388-V468 CarbonylContact O-C 3.57Å; L388-V468 WeakPolarHBondContact O-CA 3.42Å; L388-A469 PolarHBondContact O-N 2.64Å |
| 389 | V | 74.8 | Confident | 81.1 | Confident | 40 Ų | 40 | 52.7 Ų | 52.7 | 24% | 0.242 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 142.7 | 176.5 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | G391 K392 | V389-G391 PolarHBondContact O-N 3.32Å; V389-K392 HydrophobicContact CB-CG 4.08Å; V389-K392 WeakPolarHBondContact O-CB 3.35Å; V389-K392 PolarHBondContact O-N 2.88Å; V389-K392 VanDerWaalsContact O-N 3.15Å |
| 390 | V | 79 | Confident | 80.7 | Confident | 46 Ų | 46 | 53 Ų | 53 | 28% | 0.279 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | 128.9 | 177.5 | 169 | 0 | 0 | 0 | 0 | 111.2 | V442 V468 A469 | V390-V442 VanDerWaalsContact CG2-C 3.49Å; V390-V468 HydrophobicContact CG2-CG1 3.97Å; V390-A469 PolarHBondContact N-O 3.19Å |
| 391 | G | 75.1 | Confident | 80.1 | Confident | 45 Ų | 45 | 50.9 Ų | 50.9 | 46% | 0.464 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 2.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116 | V389 P440 | V389-G391 PolarHBondContact O-N 3.32Å; G391-P440 PolarHBondContact N-O 3.28Å |
| 392 | K | 77.1 | Confident | 79.4 | Confident | 139 Ų | 139 | 52.3 Ų | 52.3 | 60% | 0.604 | 31% | 0.313 | S | S | * | . | trans | -94.8 | 120.1 | 177.1 | -65.8 | -72 | -173.8 | 171 | 0 | 111.8 | V389 P440 | V389-K392 HydrophobicContact CB-CG 4.08Å; V389-K392 WeakPolarHBondContact O-CB 3.35Å; V389-K392 PolarHBondContact O-N 2.88Å; V389-K392 VanDerWaalsContact O-N 3.15Å; K392-P440 WeakPolarHBondContact O-CD 3.46Å | ||
| 393 | P | 83.2 | Confident | 78.6 | Confident | 103 Ų | 103 | 50.8 Ų | 50.8 | 67% | 0.669 | 31% | 0.305 | S | S | * | . | trans | -67.3 | 149 | 177.6 | 25.8 | -33.8 | 0 | 0 | 0 | 113.2 | Y438 T439 | P393-Y438 WeakPolarHBondContact CA-O 3.4Å; P393-T439 WeakPolarHBondContact CA-OG1 3.49Å; P393-T439 WeakPolarHBondContact CB-OG1 3.39Å | ||
| 394 | T | 87.8 | Confident | 77.9 | Confident | 21 Ų | 21 | 56.5 Ų | 56.5 | 13% | 0.129 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 174.2 | 178.6 | -166.6 | 0 | 0 | 0 | 0 | 111.1 | G383 L388 Y438 | G383-T394 VanDerWaalsContact CA-OG1 3.25Å; G383-T394 WeakPolarHBondContact CA-OG1 3.42Å; G383-T394 PolarHBondContact N-OG1 3.02Å; L388-T394 HydrophobicContact CD1-CG2 4.02Å; L388-T394 HydrophobicContact CD2-CG2 4.18Å; T394-Y438 HydrophobicContact CG2-CD1 3.88Å; T394-Y438 HydrophobicContact CG2-CD2 4.47Å; T394-Y438 HydrophobicContact CG2-CE1 3.43Å; T394-Y438 VanDerWaalsContact CG2-CE1 3.43Å; T394-Y438 HydrophobicContact CG2-CE2 4.08Å; T394-Y438 HydrophobicContact CG2-CG 4.38Å; T394-Y438 PolarHBondContact N-O 3.32Å; T394-Y438 PolarHBondContact O-N 3.13Å |
| 395 | Y | 90.4 | Very high | 77.1 | Confident | 86 Ų | 86 | 59.4 Ų | 59.4 | 34% | 0.337 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 169.7 | -174.7 | 76.3 | -85 | 0 | 0 | 0 | 114.7 | P382 G383 R435 C436 | P382-Y395 WeakPolarHBondContact CD-O 3.22Å; P382-Y395 HydrophobicContact CG-CD1 3.87Å; P382-Y395 HydrophobicContact CG-CE1 3.56Å; P382-Y395 HydrophobicContact CG-CE2 4.24Å; P382-Y395 HydrophobicContact CG-CG 4.33Å; P382-Y395 WeakPolarHBondContact CG-O 3.3Å; G383-Y395 PolarHBondContact N-O 3.27Å; Y395-R435 HydrophobicContact CD2-CG 4.12Å; Y395-C436 CarbonylContact C-O 3.51Å; Y395-C436 WeakPolarHBondContact CA-O 3.27Å; Y395-C436 WeakPolarHBondContact CB-O 3.49Å |
| 396 | F | 90.5 | Very high | 76.8 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 163.7 | 163.9 | 59.2 | -91.6 | 0 | 0 | 0 | 112.1 | V379 L384 V410 I412 R435 C436 Y438 I448 V450 | V379-F396 HydrophobicContact CG1-CD2 3.82Å; V379-F396 HydrophobicContact CG1-CE2 4.22Å; L384-F396 HydrophobicContact CD1-CB 4.08Å; L384-F396 HydrophobicContact CD1-CG 4.36Å; L384-F396 HydrophobicContact CD2-CB 4.26Å; L384-F396 HydrophobicContact CD2-CD1 3.65Å; L384-F396 HydrophobicContact CD2-CE1 4.06Å; L384-F396 HydrophobicContact CD2-CG 3.91Å; L384-F396 HydrophobicContact CG-CB 4Å; L384-F396 HydrophobicContact CG-CD1 4.29Å; L384-F396 HydrophobicContact CG-CG 4.2Å; F396-V410 HydrophobicContact CE2-CG1 4.33Å; F396-V410 HydrophobicContact CZ-CG1 3.7Å; F396-I412 HydrophobicContact CE1-CD1 4.5Å; F396-R435 CarbonylContact O-C 3.44Å; F396-C436 HydrophobicContact CD1-CB 4.42Å; F396-C436 HydrophobicContact CD2-CB 3.99Å; F396-C436 HydrophobicContact CE1-CB 4.11Å; F396-C436 HydrophobicContact CE2-CB 3.65Å; F396-C436 HydrophobicContact CG-CB 4.37Å; F396-C436 HydrophobicContact CZ-CB 3.73Å; F396-C436 PolarHBondContact N-O 3.37Å; F396-C436 PolarHBondContact O-N 2.9Å; F396-Y438 HydrophobicContact CE1-CD1 4.4Å; F396-Y438 HydrophobicContact CE1-CE1 4.44Å; F396-I448 HydrophobicContact CE1-CG2 3.59Å; F396-I448 HydrophobicContact CZ-CG2 3.55Å; F396-V450 HydrophobicContact CE2-CG2 3.86Å; F396-V450 HydrophobicContact CZ-CG2 4.43Å |
| 397 | D | 88.3 | Confident | 77.2 | Confident | 35 Ų | 35 | 57.1 Ų | 57.1 | 19% | 0.187 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 144.1 | -171.8 | -64 | -26.7 | 0 | 0 | 0 | 112.1 | V379 S380 I433 R435 | V379-D397 CarbonylContact C-O 3.54Å; V379-D397 VanDerWaalsContact CA-O 3.32Å; V379-D397 WeakPolarHBondContact CA-O 3.49Å; S380-D397 PolarHBondContact N-O 2.91Å; S380-D397 PolarHBondContact O-N 3.42Å; D397-I433 HydrophobicContact CB-CG2 4Å; D397-R435 WeakPolarHBondContact OD1-CA 3.4Å; D397-R435 VanDerWaalsContact OD1-CB 3.27Å; D397-R435 WeakPolarHBondContact OD1-CB 3.49Å; D397-R435 VanDerWaalsContact OD1-CG 3.31Å; D397-R435 WeakPolarHBondContact OD1-CG 3.02Å; D397-R435 IonicContact OD1-CZ 3.3Å; D397-R435 IonicContact OD1-NE 3.97Å; D397-R435 PolarHBondContact OD1-NE 2.92Å; D397-R435 IonicContact OD1-NH2 3.3Å; D397-R435 PolarHBondContact OD1-NH2 2.8Å; D397-R435 IonicContact OD2-CZ 2.77Å; D397-R435 IonicContact OD2-NE 2.77Å; D397-R435 IonicContact OD2-NH2 2.98Å; D397-R435 PolarHBondContact OD2-NH2 2.7Å |
| 398 | I | 86.5 | Confident | 78.1 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 136.4 | 177.8 | -54.1 | 163.3 | 0 | 0 | 0 | 108.9 | S378 V379 F408 V410 I433 L434 C436 V450 | S378-I398 CarbonylContact O-C 3.32Å; S378-I398 VanDerWaalsContact O-CA 3.26Å; S378-I398 WeakPolarHBondContact O-CA 3.44Å; V379-I398 HydrophobicContact CG1-CG1 4.2Å; V379-I398 HydrophobicContact CG2-CG1 4.2Å; V379-I398 HydrophobicContact CG2-CG2 4.32Å; I398-F408 HydrophobicContact CG2-CD1 4.07Å; I398-F408 HydrophobicContact CG2-CE1 3.85Å; I398-V410 HydrophobicContact CD1-CG2 3.88Å; I398-I433 CarbonylContact O-C 3.58Å; I398-I433 WeakPolarHBondContact O-CA 3.46Å; I398-I433 WeakPolarHBondContact O-CG2 3.27Å; I398-L434 HydrophobicContact CB-CB 4.28Å; I398-L434 WeakPolarHBondContact CB-O 3.47Å; I398-L434 HydrophobicContact CD1-CD2 4.36Å; I398-L434 PolarHBondContact N-O 3.36Å; I398-L434 PolarHBondContact O-N 3.32Å; I398-C436 VanDerWaalsContact CD1-SG 3.52Å; I398-V450 HydrophobicContact CD1-CG1 3.52Å; I398-V450 HydrophobicContact CD1-CG2 4.41Å; I398-V450 HydrophobicContact CG1-CG1 4Å; I398-V450 HydrophobicContact CG2-CG1 4.44Å |
| 399 | F | 81.4 | Confident | 78.5 | Confident | 79 Ų | 79 | 58.4 Ų | 58.4 | 35% | 0.346 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 131.1 | 173.3 | 178.8 | -116.8 | 0 | 0 | 0 | 110.9 | Q376 M377 S378 A401 G432 I433 | Q376-F399 WeakPolarHBondContact O-CD1 3.5Å; Q376-F399 VanDerWaalsContact O-CE1 3.31Å; Q376-F399 WeakPolarHBondContact O-CE1 3.5Å; M377-F399 VanDerWaalsContact CA-O 3.24Å; M377-F399 WeakPolarHBondContact CA-O 3.34Å; M377-F399 VanDerWaalsContact CB-O 3.28Å; M377-F399 WeakPolarHBondContact CB-O 3.45Å; S378-F399 PolarHBondContact N-O 2.83Å; S378-F399 PolarHBondContact O-N 3.24Å; F399-A401 HydrophobicContact CD1-CB 4.29Å; F399-A401 HydrophobicContact CE1-CB 3.76Å; F399-A401 HydrophobicContact CZ-CB 4.14Å; F399-G432 WeakPolarHBondContact CD2-O 3.36Å; F399-I433 HydrophobicContact CD2-CG1 3.88Å |
| 400 | T | 79.8 | Confident | 79.1 | Confident | 13 Ų | 13 | 57.4 Ų | 57.4 | 8% | 0.08 | 31% | 0.313 | C | S | . | . | trans | -107.1 | -18.6 | -165.5 | 76 | 0 | 0 | 0 | 0 | 115.5 | M377 G402 G403 F408 G432 L434 | M377-T400 VanDerWaalsContact CE-O 3.3Å; M377-T400 WeakPolarHBondContact CE-O 3.31Å; T400-G402 PolarHBondContact O-N 2.88Å; T400-G403 PolarHBondContact O-N 2.84Å; T400-G403 VanDerWaalsContact O-N 3.07Å; T400-F408 HydrophobicContact CG2-CD2 4.25Å; T400-F408 HydrophobicContact CG2-CE1 4.37Å; T400-F408 HydrophobicContact CG2-CE2 3.49Å; T400-F408 VanDerWaalsContact CG2-CE2 3.49Å; T400-F408 HydrophobicContact CG2-CZ 3.58Å; T400-G432 PolarHBondContact N-O 3.11Å; T400-G432 WeakPolarHBondContact OG1-CA 3.31Å; T400-G432 PolarHBondContact OG1-O 2.85Å; T400-L434 HydrophobicContact CG2-CB 4.01Å | ||
| 401 | A | 68.3 | Low | 79.3 | Confident | 33 Ų | 33 | 56.6 Ų | 56.6 | 27% | 0.273 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 21.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | Q376 F399 | Q376-A401 HydrophobicContact CB-CB 3.31Å; Q376-A401 HydrophobicContact CG-CB 4.47Å; F399-A401 HydrophobicContact CD1-CB 4.29Å; F399-A401 HydrophobicContact CE1-CB 3.76Å; F399-A401 HydrophobicContact CZ-CB 4.14Å |
| 402 | G | 68.3 | Low | 79.9 | Confident | 53 Ų | 53 | 54.4 Ų | 54.4 | 55% | 0.546 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 105.8 | -4.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | T400 | T400-G402 PolarHBondContact O-N 2.88Š|
| 403 | G | 65.5 | Low | 80.1 | Confident | 12 Ų | 12 | 50.6 Ų | 50.6 | 12% | 0.124 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -66.3 | 152.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T400 Y452 | T400-G403 PolarHBondContact O-N 2.84Å; T400-G403 VanDerWaalsContact O-N 3.07Å; G403-Y452 VanDerWaalsContact CA-OH 3.27Å; G403-Y452 WeakPolarHBondContact CA-OH 3.49Å |
| 404 | E | 68.7 | Low | 80 | Confident | 119 Ų | 119 | 46.1 Ų | 46.1 | 56% | 0.556 | 24% | 0.243 | S | C | * | . | trans | -81.4 | 144 | -177.3 | -72.9 | -170.9 | -168.9 | 0 | 0 | 112.3 | K406 D407 | E404-K406 VanDerWaalsContact C-N 3.26Å; E404-K406 HydrophobicContact CB-CD 4.35Å; E404-K406 HydrophobicContact CB-CG 4.46Å; E404-K406 PolarHBondContact O-N 3.45Å; E404-K406 WeakPolarHBondContact OE2-CE 3.46Å; E404-K406 IonicContact OE2-NZ 3.41Å; E404-K406 PolarHBondContact OE2-NZ 2.81Å; E404-D407 PolarHBondContact O-N 3.11Å | ||
| 405 | E | 68.5 | Low | 79.3 | Confident | 87 Ų | 87 | 47.1 Ų | 47.1 | 41% | 0.407 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -56.6 | -36.4 | -173.9 | 173.8 | 171.6 | -173.2 | 0 | 0 | 113.8 | D407 F408 N428 L434 | E405-D407 PolarHBondContact O-N 2.88Å; E405-D407 VanDerWaalsContact O-N 3.16Å; E405-F408 PolarHBondContact O-N 2.6Å; E405-N428 HydrophobicContact CG-CB 4.34Å; E405-N428 VanDerWaalsContact OE1-CB 3.22Å; E405-N428 WeakPolarHBondContact OE1-CB 2.89Å; E405-N428 PolarHBondContact OE1-N 2.92Å; E405-N428 WeakPolarHBondContact OE2-CB 3.38Å; E405-N428 PolarHBondContact OE2-ND2 3.14Å; E405-L434 HydrophobicContact CG-CD1 4.01Å |
| 406 | K | 70.8 | Confident | 78.6 | Confident | 149 Ų | 149 | 48 Ų | 48 | 65% | 0.648 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -62.6 | -19.9 | -177.2 | 78.1 | -158.7 | 178.5 | -160.8 | 0 | 114.1 | E404 | E404-K406 VanDerWaalsContact C-N 3.26Å; E404-K406 HydrophobicContact CB-CD 4.35Å; E404-K406 HydrophobicContact CB-CG 4.46Å; E404-K406 PolarHBondContact O-N 3.45Å; E404-K406 WeakPolarHBondContact OE2-CE 3.46Å; E404-K406 IonicContact OE2-NZ 3.41Å; E404-K406 PolarHBondContact OE2-NZ 2.81Å |
| 407 | D | 77 | Confident | 77.3 | Confident | 48 Ų | 48 | 52.9 Ų | 52.9 | 26% | 0.257 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -92.9 | -5 | -171.5 | -54.4 | -46 | 0 | 0 | 0 | 111.7 | E404 E405 Y452 D453 | E404-D407 PolarHBondContact O-N 3.11Å; E405-D407 PolarHBondContact O-N 2.88Å; E405-D407 VanDerWaalsContact O-N 3.16Å; D407-Y452 HydrophobicContact CB-CD2 3.97Å; D407-Y452 HydrophobicContact CB-CE2 3.61Å; D407-Y452 CarbonylContact O-C 3.59Å; D407-Y452 WeakPolarHBondContact O-CA 3.13Å; D407-D453 PolarHBondContact O-N 2.92Å |
| 408 | F | 83.2 | Confident | 76.2 | Confident | 11 Ų | 11 | 56.3 Ų | 56.3 | 5% | 0.048 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 143.3 | 177.3 | -72.7 | -86.7 | 0 | 0 | 0 | 113.6 | M377 I398 T400 E405 L434 F451 Y452 | M377-F408 HydrophobicContact CE-CZ 3.87Å; M377-F408 HydrophobicContact CG-CZ 4.35Å; M377-F408 HydrophobicContact SD-CE1 3.84Å; M377-F408 HydrophobicContact SD-CZ 3.69Å; I398-F408 HydrophobicContact CG2-CD1 4.07Å; I398-F408 HydrophobicContact CG2-CE1 3.85Å; T400-F408 HydrophobicContact CG2-CD2 4.25Å; T400-F408 HydrophobicContact CG2-CE1 4.37Å; T400-F408 HydrophobicContact CG2-CE2 3.49Å; T400-F408 VanDerWaalsContact CG2-CE2 3.49Å; T400-F408 HydrophobicContact CG2-CZ 3.58Å; E405-F408 PolarHBondContact O-N 2.6Å; F408-L434 HydrophobicContact CB-CD2 3.46Å; F408-L434 VanDerWaalsContact CB-CD2 3.46Å; F408-L434 HydrophobicContact CD1-CD2 4.36Å; F408-L434 HydrophobicContact CD2-CD2 3.93Å; F408-L434 HydrophobicContact CG-CD2 3.66Å; F408-F451 WeakPolarHBondContact CA-O 3.09Å; F408-Y452 AromaticContact CD1-CD2 3.88Å; F408-Y452 HydrophobicContact CD1-CD2 3.88Å; F408-Y452 HydrophobicContact CD1-CG 4.41Å; F408-Y452 AromaticContact CD2-CD2 3.62Å; F408-Y452 HydrophobicContact CD2-CD2 3.62Å; F408-Y452 HydrophobicContact CD2-CE2 4.07Å; F408-Y452 AromaticContact CE1-CD2 3.59Å; F408-Y452 HydrophobicContact CE1-CD2 3.59Å; F408-Y452 HydrophobicContact CE1-CG 4.08Å; F408-Y452 AromaticContact CE2-CD2 3.3Å; F408-Y452 HydrophobicContact CE2-CD2 3.3Å; F408-Y452 AromaticContact CE2-CE2 3.56Å; F408-Y452 HydrophobicContact CE2-CE2 3.56Å; F408-Y452 HydrophobicContact CE2-CG 4.47Å; F408-Y452 AromaticContact CG-CD2 3.88Å; F408-Y452 HydrophobicContact CG-CD2 3.88Å; F408-Y452 AromaticContact CZ-CD2 3.26Å; F408-Y452 HydrophobicContact CZ-CD2 3.26Å; F408-Y452 AromaticContact CZ-CE2 3.83Å; F408-Y452 HydrophobicContact CZ-CE2 3.83Å; F408-Y452 HydrophobicContact CZ-CG 4.09Å |
| 409 | Q | 84 | Confident | 74.8 | Confident | 107 Ų | 107 | 60 Ų | 60 | 50% | 0.5 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 147.4 | 178.3 | -164.6 | 176.5 | 13.8 | 0 | 0 | 112 | V450 F451 | Q409-V450 CarbonylContact O-C 3.52Å; Q409-V450 WeakPolarHBondContact O-CA 3.4Å; Q409-F451 HydrophobicContact CB-CB 4.22Å; Q409-F451 PolarHBondContact N-O 2.76Å; Q409-F451 PolarHBondContact O-N 3.46Å |
| 410 | V | 88.4 | Confident | 73.3 | Confident | 18 Ų | 18 | 60.5 Ų | 60.5 | 11% | 0.109 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 145.9 | -177 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | F396 I398 P424 S449 V450 | F396-V410 HydrophobicContact CE2-CG1 4.33Å; F396-V410 HydrophobicContact CZ-CG1 3.7Å; I398-V410 HydrophobicContact CD1-CG2 3.88Å; V410-P424 HydrophobicContact CB-CG 3.96Å; V410-P424 HydrophobicContact CG1-CB 4.15Å; V410-P424 HydrophobicContact CG1-CG 3.74Å; V410-S449 VanDerWaalsContact CA-O 3.29Å; V410-S449 WeakPolarHBondContact CA-O 3.48Å; V410-S449 WeakPolarHBondContact CG1-O 3.32Å; V410-V450 HydrophobicContact CG2-CB 4.49Å; V410-V450 HydrophobicContact CG2-CG1 4.2Å; V410-V450 HydrophobicContact CG2-CG2 4.14Å |
| 411 | S | 83.8 | Confident | 72.1 | Confident | 29 Ų | 29 | 61.8 Ų | 61.8 | 20% | 0.203 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 144.2 | -178.8 | -156.6 | 0 | 0 | 0 | 0 | 111.2 | N419 I448 S449 | S411-N419 VanDerWaalsContact OG-CG 3.23Å; S411-N419 PolarHBondContact OG-ND2 3.48Å; S411-N419 PolarHBondContact OG-OD1 3.27Å; S411-I448 WeakPolarHBondContact O-CA 3.01Å; S411-S449 PolarHBondContact N-O 3.3Å; S411-S449 PolarHBondContact O-N 3.41Å |
| 412 | I | 86.7 | Confident | 71.6 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 116.4 | 179.1 | -55.8 | -173.5 | 0 | 0 | 0 | 110.5 | F396 N419 L422 P424 Y438 S447 I448 | F396-I412 HydrophobicContact CE1-CD1 4.5Å; I412-N419 PolarHBondContact N-OD1 2.82Å; I412-N419 WeakPolarHBondContact O-CA 3.49Å; I412-N419 PolarHBondContact O-OD1 2.94Å; I412-L422 HydrophobicContact CB-CB 4.12Å; I412-L422 HydrophobicContact CG2-CB 4Å; I412-L422 HydrophobicContact CG2-CD1 3.66Å; I412-L422 HydrophobicContact CG2-CG 4.48Å; I412-P424 HydrophobicContact CD1-CB 3.99Å; I412-P424 HydrophobicContact CD1-CG 4.4Å; I412-P424 HydrophobicContact CG1-CG 4.48Å; I412-Y438 HydrophobicContact CD1-CD1 3.56Å; I412-Y438 HydrophobicContact CD1-CD2 3.93Å; I412-Y438 HydrophobicContact CD1-CE1 4.14Å; I412-Y438 HydrophobicContact CD1-CE2 4.48Å; I412-Y438 HydrophobicContact CD1-CG 3.44Å; I412-Y438 VanDerWaalsContact CD1-CG 3.44Å; I412-Y438 HydrophobicContact CG2-CD2 4.37Å; I412-Y438 HydrophobicContact CG2-CE2 4.4Å; I412-S447 CarbonylContact C-O 3.48Å; I412-S447 WeakPolarHBondContact CA-O 3.48Å; I412-I448 HydrophobicContact CG1-CG1 4.17Å; I412-I448 HydrophobicContact CG1-CG2 4.29Å; I412-I448 HydrophobicContact CG2-CG1 4.08Å |
| 413 | L | 81.3 | Confident | 71.5 | Confident | 58 Ų | 58 | 67 Ų | 67 | 30% | 0.304 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 138.9 | 176.7 | -53.3 | -178.6 | 0 | 0 | 0 | 111.4 | Q418 N419 H446 S447 | L413-Q418 WeakPolarHBondContact CA-O 3.47Å; L413-N419 HydrophobicContact CD2-CB 3.51Å; L413-H446 CarbonylContact O-C 3.48Å; L413-H446 WeakPolarHBondContact O-CA 3.37Å; L413-H446 VanDerWaalsContact O-CB 3.27Å; L413-H446 WeakPolarHBondContact O-CB 3.35Å; L413-S447 PolarHBondContact N-O 2.95Å; L413-S447 PolarHBondContact O-N 3.11Å |
| 414 | D | 80.1 | Confident | 71.8 | Confident | 9 Ų | 9 | 67.8 Ų | 67.8 | 5% | 0.048 | 36% | 0.357 | C | S | . | . | trans | -88.3 | -174.9 | 170.7 | 69.5 | 31.1 | 0 | 0 | 0 | 113.8 | N416 C417 Q418 S421 L422 V442 L445 | D414-N416 PolarHBondContact O-N 2.68Å; D414-N416 WeakPolarHBondContact OD1-CA 3.25Å; D414-N416 WeakPolarHBondContact OD1-CB 3Å; D414-N416 PolarHBondContact OD1-N 2.73Å; D414-C417 VanDerWaalsContact O-CA 3.31Å; D414-C417 WeakPolarHBondContact O-CA 3.06Å; D414-C417 PolarHBondContact O-N 2.84Å; D414-Q418 PolarHBondContact N-O 2.99Å; D414-Q418 PolarHBondContact OD1-N 3.45Å; D414-S421 WeakPolarHBondContact OD2-CB 3.18Å; D414-S421 PolarHBondContact OD2-OG 3.3Å; D414-L422 HydrophobicContact CB-CD1 4.5Å; D414-V442 HydrophobicContact CB-CG2 4.35Å; D414-L445 CarbonylContact C-O 3.56Å | ||
| 415 | S | 73.9 | Confident | 72.3 | Confident | 43 Ų | 43 | 66.6 Ų | 66.6 | 30% | 0.301 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -7.1 | -177.4 | 50.6 | 0 | 0 | 0 | 0 | 115.5 | V442 S443 L445 | S415-V442 WeakPolarHBondContact OG-CG1 3.33Å; S415-S443 WeakPolarHBondContact CB-O 3.17Å; S415-S443 PolarHBondContact OG-O 3.5Å; S415-L445 WeakPolarHBondContact CA-O 3.46Å; S415-L445 VanDerWaalsContact CB-O 3.24Å; S415-L445 WeakPolarHBondContact CB-O 3.27Å; S415-L445 PolarHBondContact N-O 2.88Å |
| 416 | N | 75.8 | Confident | 72.6 | Confident | 104 Ų | 104 | 65.5 Ų | 65.5 | 56% | 0.556 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 14.3 | 168.1 | -53.2 | -76.6 | 0 | 0 | 0 | 111.3 | D414 Q418 | D414-N416 PolarHBondContact O-N 2.68Å; D414-N416 WeakPolarHBondContact OD1-CA 3.25Å; D414-N416 WeakPolarHBondContact OD1-CB 3Å; D414-N416 PolarHBondContact OD1-N 2.73Å; N416-Q418 HydrophobicContact CB-CG 4.15Å; N416-Q418 PolarHBondContact O-N 3.14Å |
| 417 | C | 62.3 | Low | 72.9 | Confident | 102 Ų | 102 | 64.8 Ų | 64.8 | 69% | 0.689 | 34% | 0.341 | S | S | * | . | S | Bend | trans | 57 | 24.7 | -170.7 | -61.7 | 0 | 0 | 0 | 0 | 114.2 | D414 | D414-C417 VanDerWaalsContact O-CA 3.31Å; D414-C417 WeakPolarHBondContact O-CA 3.06Å; D414-C417 PolarHBondContact O-N 2.84Å |
| 418 | Q | 66.6 | Low | 72.6 | Confident | 107 Ų | 107 | 66 Ų | 66 | 50% | 0.5 | 35% | 0.348 | S | S | . | . | trans | -91.9 | 133.2 | -179.8 | -60.5 | -167.7 | 31.2 | 0 | 0 | 111.6 | L413 D414 N416 | L413-Q418 WeakPolarHBondContact CA-O 3.47Å; D414-Q418 PolarHBondContact N-O 2.99Å; D414-Q418 PolarHBondContact OD1-N 3.45Å; N416-Q418 HydrophobicContact CB-CG 4.15Å; N416-Q418 PolarHBondContact O-N 3.14Å | ||
| 419 | N | 56.7 | Low | 72.2 | Confident | 78 Ų | 78 | 68.8 Ų | 68.8 | 42% | 0.417 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -92.1 | -9 | 179.2 | -154.2 | 26.3 | 0 | 0 | 0 | 112.7 | S411 I412 L413 | S411-N419 VanDerWaalsContact OG-CG 3.23Å; S411-N419 PolarHBondContact OG-ND2 3.48Å; S411-N419 PolarHBondContact OG-OD1 3.27Å; I412-N419 PolarHBondContact N-OD1 2.82Å; I412-N419 WeakPolarHBondContact O-CA 3.49Å; I412-N419 PolarHBondContact O-OD1 2.94Å; L413-N419 HydrophobicContact CD2-CB 3.51Å |
| 420 | S | 50.6 | Low | 71.3 | Confident | 91 Ų | 91 | 67 Ų | 67 | 64% | 0.636 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -82.7 | -21.5 | -168.8 | 44.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 421 | S | 53.1 | Low | 70.3 | Confident | 39 Ų | 39 | 69.6 Ų | 69.6 | 27% | 0.273 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -78.1 | -26 | -177.1 | 46 | 0 | 0 | 0 | 0 | 113.3 | D414 | D414-S421 WeakPolarHBondContact OD2-CB 3.18Å; D414-S421 PolarHBondContact OD2-OG 3.3Å |
| 422 | L | 58.6 | Low | 69.7 | Low | 8 Ų | 8 | 69.3 Ų | 69.3 | 4% | 0.042 | 40% | 0.397 | C | S | . | . | trans | -132.3 | 84.6 | -165.6 | -62.1 | 177.5 | 0 | 0 | 0 | 112.4 | I412 D414 P424 Y438 T439 I441 | I412-L422 HydrophobicContact CB-CB 4.12Å; I412-L422 HydrophobicContact CG2-CB 4Å; I412-L422 HydrophobicContact CG2-CD1 3.66Å; I412-L422 HydrophobicContact CG2-CG 4.48Å; D414-L422 HydrophobicContact CB-CD1 4.5Å; L422-P424 VanDerWaalsContact O-CD 3.22Å; L422-P424 WeakPolarHBondContact O-CD 3.38Å; L422-Y438 HydrophobicContact CD1-CD2 4.44Å; L422-T439 WeakPolarHBondContact CD2-O 3.48Å; L422-I441 HydrophobicContact CD2-CG1 4.38Å | ||
| 423 | K | 66.2 | Low | 69.4 | Low | 188 Ų | 188 | 71.7 Ų | 71.7 | 82% | 0.817 | 41% | 0.409 | S | S | * | . | trans | -78.7 | 112.6 | 168.8 | -71.7 | -172.8 | 177.5 | -177.3 | 0 | 110.3 | ||||
| 424 | P | 71.4 | Confident | 69.4 | Low | 29 Ų | 29 | 69 Ų | 69 | 19% | 0.188 | 40% | 0.395 | C | S | . | . | trans | -69.9 | 135.3 | 174 | 29.1 | -34.1 | 0 | 0 | 0 | 110.7 | V410 I412 L422 E437 | V410-P424 HydrophobicContact CB-CG 3.96Å; V410-P424 HydrophobicContact CG1-CB 4.15Å; V410-P424 HydrophobicContact CG1-CG 3.74Å; I412-P424 HydrophobicContact CD1-CB 3.99Å; I412-P424 HydrophobicContact CD1-CG 4.4Å; I412-P424 HydrophobicContact CG1-CG 4.48Å; L422-P424 VanDerWaalsContact O-CD 3.22Å; L422-P424 WeakPolarHBondContact O-CD 3.38Å; P424-E437 CarbonylContact C-O 3.52Å; P424-E437 WeakPolarHBondContact CA-O 3.29Å | ||
| 425 | I | 78.3 | Confident | 69.9 | Low | 94 Ų | 94 | 72.1 Ų | 72.1 | 48% | 0.482 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 115.5 | 173.8 | -58.5 | 176.9 | 0 | 0 | 0 | 108.1 | R427 C436 E437 | I425-R427 HydrophobicContact CG2-CG 4.4Å; I425-C436 CarbonylContact O-C 3.42Å; I425-C436 VanDerWaalsContact O-CA 3.31Å; I425-C436 WeakPolarHBondContact O-CA 3.18Å; I425-E437 HydrophobicContact CB-CB 4.44Å; I425-E437 PolarHBondContact N-O 2.85Å; I425-E437 PolarHBondContact O-N 3.37Å |
| 426 | Q | 76.6 | Confident | 70.5 | Confident | 63 Ų | 63 | 70 Ų | 70 | 29% | 0.294 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 139.4 | 174.2 | -64.7 | -177.4 | -2.2 | 0 | 0 | 111.1 | L434 R435 | Q426-L434 HydrophobicContact CB-CD1 4.04Å; Q426-L434 HydrophobicContact CB-CG 4.36Å; Q426-R435 CarbonylContact C-O 3.5Å; Q426-R435 VanDerWaalsContact CA-O 3.24Å; Q426-R435 WeakPolarHBondContact CA-O 3.17Å |
| 427 | R | 76.4 | Confident | 71 | Confident | 134 Ų | 134 | 67.9 Ų | 67.9 | 51% | 0.506 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 115.4 | 178.8 | -78.3 | 179.6 | 167.4 | 152.8 | -2.5 | 112 | I425 T429 R435 E437 | I425-R427 HydrophobicContact CG2-CG 4.4Å; R427-T429 PolarHBondContact O-N 3.13Å; R427-R435 PolarHBondContact N-O 3.25Å; R427-R435 PolarHBondContact O-N 2.97Å; R427-E437 IonicContact CZ-OE2 2.68Å; R427-E437 VanDerWaalsContact NH1-CD 3.29Å; R427-E437 IonicContact NH1-OE1 3.15Å; R427-E437 PolarHBondContact NH1-OE1 2.86Å; R427-E437 IonicContact NH1-OE2 2.77Å; R427-E437 PolarHBondContact NH1-OE2 2.77Å |
| 428 | N | 71 | Confident | 72.1 | Confident | 74 Ų | 74 | 63.4 Ų | 63.4 | 40% | 0.396 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 127.4 | 170.9 | -179.4 | -6.5 | 0 | 0 | 0 | 111.3 | E405 G430 I433 L434 | E405-N428 HydrophobicContact CG-CB 4.34Å; E405-N428 VanDerWaalsContact OE1-CB 3.22Å; E405-N428 WeakPolarHBondContact OE1-CB 2.89Å; E405-N428 PolarHBondContact OE1-N 2.92Å; E405-N428 WeakPolarHBondContact OE2-CB 3.38Å; E405-N428 PolarHBondContact OE2-ND2 3.14Å; N428-G430 VanDerWaalsContact C-N 3.32Å; N428-G430 WeakPolarHBondContact OD1-CA 3.37Å; N428-G430 PolarHBondContact OD1-N 2.8Å; N428-I433 CarbonylContact C-O 3.53Å; N428-I433 WeakPolarHBondContact CA-O 3.19Å; N428-I433 PolarHBondContact OD1-O 3.02Å; N428-L434 HydrophobicContact CB-CD1 4.26Å |
| 429 | T | 74.3 | Confident | 73 | Confident | 69 Ų | 69 | 60.8 Ų | 60.8 | 42% | 0.423 | 34% | 0.338 | S | S | . | . | trans | -91.4 | 7.5 | -179.6 | 67.8 | 0 | 0 | 0 | 0 | 112.9 | R427 S431 I433 R435 | R427-T429 PolarHBondContact O-N 3.13Å; T429-S431 PolarHBondContact O-N 3.12Å; T429-S431 PolarHBondContact OG1-OG 2.84Å; T429-I433 HydrophobicContact CG2-CG2 4.45Å; T429-I433 PolarHBondContact N-O 2.63Å; T429-I433 WeakPolarHBondContact OG1-CB 3.25Å; T429-I433 PolarHBondContact OG1-O 2.83Å; T429-R435 HydrophobicContact CG2-CB 4.24Å | ||
| 430 | G | 65.7 | Low | 74.2 | Confident | 70 Ų | 70 | 57 Ų | 57 | 72% | 0.722 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 81.4 | -16.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | N428 G432 | N428-G430 VanDerWaalsContact C-N 3.32Å; N428-G430 WeakPolarHBondContact OD1-CA 3.37Å; N428-G430 PolarHBondContact OD1-N 2.8Å; G430-G432 PolarHBondContact O-N 3Å |
| 431 | S | 67.1 | Low | 75.5 | Confident | 73 Ų | 73 | 57.3 Ų | 57.3 | 51% | 0.51 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -94 | 22.9 | -177.2 | 66 | 0 | 0 | 0 | 0 | 114.1 | T429 I433 | T429-S431 PolarHBondContact O-N 3.12Å; T429-S431 PolarHBondContact OG1-OG 2.84Å; S431-I433 VanDerWaalsContact C-N 3.29Å |
| 432 | G | 71.6 | Confident | 76.6 | Confident | 23 Ų | 23 | 57.4 Ų | 57.4 | 24% | 0.237 | 31% | 0.311 | C | S | . | . | S | Bend | trans | 64 | 35 | -165.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F399 T400 G430 | F399-G432 WeakPolarHBondContact CD2-O 3.36Å; T400-G432 PolarHBondContact N-O 3.11Å; T400-G432 WeakPolarHBondContact OG1-CA 3.31Å; T400-G432 PolarHBondContact OG1-O 2.85Å; G430-G432 PolarHBondContact O-N 3Å |
| 433 | I | 80.1 | Confident | 77.4 | Confident | 50 Ų | 50 | 59.7 Ų | 59.7 | 26% | 0.256 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 139.4 | 176.5 | -67.9 | 174.3 | 0 | 0 | 0 | 109.2 | D397 I398 F399 N428 T429 S431 | D397-I433 HydrophobicContact CB-CG2 4Å; I398-I433 CarbonylContact O-C 3.58Å; I398-I433 WeakPolarHBondContact O-CA 3.46Å; I398-I433 WeakPolarHBondContact O-CG2 3.27Å; F399-I433 HydrophobicContact CD2-CG1 3.88Å; N428-I433 CarbonylContact C-O 3.53Å; N428-I433 WeakPolarHBondContact CA-O 3.19Å; N428-I433 PolarHBondContact OD1-O 3.02Å; T429-I433 HydrophobicContact CG2-CG2 4.45Å; T429-I433 PolarHBondContact N-O 2.63Å; T429-I433 WeakPolarHBondContact OG1-CB 3.25Å; T429-I433 PolarHBondContact OG1-O 2.83Å; S431-I433 VanDerWaalsContact C-N 3.29Å |
| 434 | L | 81.9 | Confident | 77.7 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 106 | -177.3 | -176.8 | 67.1 | 0 | 0 | 0 | 109.1 | I398 T400 E405 F408 Q426 N428 | I398-L434 HydrophobicContact CB-CB 4.28Å; I398-L434 WeakPolarHBondContact CB-O 3.47Å; I398-L434 HydrophobicContact CD1-CD2 4.36Å; I398-L434 PolarHBondContact N-O 3.36Å; I398-L434 PolarHBondContact O-N 3.32Å; T400-L434 HydrophobicContact CG2-CB 4.01Å; E405-L434 HydrophobicContact CG-CD1 4.01Å; F408-L434 HydrophobicContact CB-CD2 3.46Å; F408-L434 VanDerWaalsContact CB-CD2 3.46Å; F408-L434 HydrophobicContact CD1-CD2 4.36Å; F408-L434 HydrophobicContact CD2-CD2 3.93Å; F408-L434 HydrophobicContact CG-CD2 3.66Å; Q426-L434 HydrophobicContact CB-CD1 4.04Å; Q426-L434 HydrophobicContact CB-CG 4.36Å; N428-L434 HydrophobicContact CB-CD1 4.26Å |
| 435 | R | 89 | Confident | 78.1 | Confident | 74 Ų | 74 | 53.5 Ų | 53.5 | 28% | 0.279 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 138.5 | 178.6 | 175 | 159.6 | -68.5 | 171.3 | 2.9 | 111 | Y395 F396 D397 Q426 R427 T429 E437 | Y395-R435 HydrophobicContact CD2-CG 4.12Å; F396-R435 CarbonylContact O-C 3.44Å; D397-R435 WeakPolarHBondContact OD1-CA 3.4Å; D397-R435 VanDerWaalsContact OD1-CB 3.27Å; D397-R435 WeakPolarHBondContact OD1-CB 3.49Å; D397-R435 VanDerWaalsContact OD1-CG 3.31Å; D397-R435 WeakPolarHBondContact OD1-CG 3.02Å; D397-R435 IonicContact OD1-CZ 3.3Å; D397-R435 IonicContact OD1-NE 3.97Å; D397-R435 PolarHBondContact OD1-NE 2.92Å; D397-R435 IonicContact OD1-NH2 3.3Å; D397-R435 PolarHBondContact OD1-NH2 2.8Å; D397-R435 IonicContact OD2-CZ 2.77Å; D397-R435 IonicContact OD2-NE 2.77Å; D397-R435 IonicContact OD2-NH2 2.98Å; D397-R435 PolarHBondContact OD2-NH2 2.7Å; Q426-R435 CarbonylContact C-O 3.5Å; Q426-R435 VanDerWaalsContact CA-O 3.24Å; Q426-R435 WeakPolarHBondContact CA-O 3.17Å; R427-R435 PolarHBondContact N-O 3.25Å; R427-R435 PolarHBondContact O-N 2.97Å; T429-R435 HydrophobicContact CG2-CB 4.24Å; R435-E437 HydrophobicContact CG-CG 4Å |
| 436 | C | 86.8 | Confident | 78.3 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 114.2 | 179.1 | -62.4 | 0 | 0 | 0 | 0 | 110.1 | Y395 F396 I398 I425 | Y395-C436 CarbonylContact C-O 3.51Å; Y395-C436 WeakPolarHBondContact CA-O 3.27Å; Y395-C436 WeakPolarHBondContact CB-O 3.49Å; F396-C436 HydrophobicContact CD1-CB 4.42Å; F396-C436 HydrophobicContact CD2-CB 3.99Å; F396-C436 HydrophobicContact CE1-CB 4.11Å; F396-C436 HydrophobicContact CE2-CB 3.65Å; F396-C436 HydrophobicContact CG-CB 4.37Å; F396-C436 HydrophobicContact CZ-CB 3.73Å; F396-C436 PolarHBondContact N-O 3.37Å; F396-C436 PolarHBondContact O-N 2.9Å; I398-C436 VanDerWaalsContact CD1-SG 3.52Å; I425-C436 CarbonylContact O-C 3.42Å; I425-C436 VanDerWaalsContact O-CA 3.31Å; I425-C436 WeakPolarHBondContact O-CA 3.18Å |
| 437 | E | 86.2 | Confident | 78.6 | Confident | 58 Ų | 58 | 47.5 Ų | 47.5 | 27% | 0.271 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 135.5 | -176.7 | -58.3 | 172.1 | -170 | 0 | 0 | 110.8 | P424 I425 R427 R435 | P424-E437 CarbonylContact C-O 3.52Å; P424-E437 WeakPolarHBondContact CA-O 3.29Å; I425-E437 HydrophobicContact CB-CB 4.44Å; I425-E437 PolarHBondContact N-O 2.85Å; I425-E437 PolarHBondContact O-N 3.37Å; R427-E437 IonicContact CZ-OE2 2.68Å; R427-E437 VanDerWaalsContact NH1-CD 3.29Å; R427-E437 IonicContact NH1-OE1 3.15Å; R427-E437 PolarHBondContact NH1-OE1 2.86Å; R427-E437 IonicContact NH1-OE2 2.77Å; R427-E437 PolarHBondContact NH1-OE2 2.77Å; R435-E437 HydrophobicContact CG-CG 4Å |
| 438 | Y | 86.9 | Confident | 79.2 | Confident | 9 Ų | 9 | 41.1 Ų | 41.1 | 4% | 0.035 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 167.1 | 177.3 | 83.3 | -86 | 0 | 0 | 0 | 112.9 | G383 L388 P393 T394 F396 I412 L422 P440 I448 | G383-Y438 PolarHBondContact O-OH 2.85Å; L388-Y438 VanDerWaalsContact CD1-OH 3.24Å; L388-Y438 WeakPolarHBondContact CD1-OH 3.31Å; P393-Y438 WeakPolarHBondContact CA-O 3.4Å; T394-Y438 HydrophobicContact CG2-CD1 3.88Å; T394-Y438 HydrophobicContact CG2-CD2 4.47Å; T394-Y438 HydrophobicContact CG2-CE1 3.43Å; T394-Y438 VanDerWaalsContact CG2-CE1 3.43Å; T394-Y438 HydrophobicContact CG2-CE2 4.08Å; T394-Y438 HydrophobicContact CG2-CG 4.38Å; T394-Y438 PolarHBondContact N-O 3.32Å; T394-Y438 PolarHBondContact O-N 3.13Å; F396-Y438 HydrophobicContact CE1-CD1 4.4Å; F396-Y438 HydrophobicContact CE1-CE1 4.44Å; I412-Y438 HydrophobicContact CD1-CD1 3.56Å; I412-Y438 HydrophobicContact CD1-CD2 3.93Å; I412-Y438 HydrophobicContact CD1-CE1 4.14Å; I412-Y438 HydrophobicContact CD1-CE2 4.48Å; I412-Y438 HydrophobicContact CD1-CG 3.44Å; I412-Y438 VanDerWaalsContact CD1-CG 3.44Å; I412-Y438 HydrophobicContact CG2-CD2 4.37Å; I412-Y438 HydrophobicContact CG2-CE2 4.4Å; L422-Y438 HydrophobicContact CD1-CD2 4.44Å; Y438-P440 HydrophobicContact CE2-CB 4.33Å; Y438-P440 HydrophobicContact CE2-CG 4.34Å; Y438-I448 HydrophobicContact CE1-CD1 3.88Å |
| 439 | T | 85.1 | Confident | 79.9 | Confident | 51 Ų | 51 | 38.9 Ų | 38.9 | 31% | 0.313 | 24% | 0.242 | S | C | . | . | trans | -138.6 | 105 | -179.9 | -59 | 0 | 0 | 0 | 0 | 110.2 | P393 L422 I441 | P393-T439 WeakPolarHBondContact CA-OG1 3.49Å; P393-T439 WeakPolarHBondContact CB-OG1 3.39Å; L422-T439 WeakPolarHBondContact CD2-O 3.48Å; T439-I441 WeakPolarHBondContact O-CG2 3.42Å; T439-I441 PolarHBondContact O-N 3.24Å | ||
| 440 | P | 81.5 | Confident | 80.5 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -64.4 | 127.5 | 179.8 | 27.8 | -35 | 0 | 0 | 0 | 111.3 | L388 G391 K392 Y438 V468 | L388-P440 HydrophobicContact CB-CG 4.19Å; L388-P440 HydrophobicContact CD1-CG 4.01Å; G391-P440 PolarHBondContact N-O 3.28Å; K392-P440 WeakPolarHBondContact O-CD 3.46Å; Y438-P440 HydrophobicContact CE2-CB 4.33Å; Y438-P440 HydrophobicContact CE2-CG 4.34Å; P440-V468 HydrophobicContact CB-CG1 4.07Å; P440-V468 HydrophobicContact CB-CG2 3.82Å; P440-V468 HydrophobicContact CG-CG1 4.12Å; P440-V468 HydrophobicContact CG-CG2 4.18Å | ||
| 441 | I | 76.9 | Confident | 81.2 | Confident | 97 Ų | 97 | 35 Ų | 35 | 50% | 0.497 | 20% | 0.2 | S | C | . | . | trans | -107.6 | -3.9 | -176.8 | 63.9 | 175.5 | 0 | 0 | 0 | 114 | L422 T439 | L422-I441 HydrophobicContact CD2-CG1 4.38Å; T439-I441 WeakPolarHBondContact O-CG2 3.42Å; T439-I441 PolarHBondContact O-N 3.24Å | ||
| 442 | V | 76.9 | Confident | 81.7 | Confident | 41 Ų | 41 | 32.9 Ų | 32.9 | 25% | 0.248 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -123.4 | 145.8 | 178.2 | -162.6 | 0 | 0 | 0 | 0 | 108.9 | V390 D414 S415 H446 V468 | V390-V442 VanDerWaalsContact CG2-C 3.49Å; D414-V442 HydrophobicContact CB-CG2 4.35Å; S415-V442 WeakPolarHBondContact OG-CG1 3.33Å; V442-H446 PolarHBondContact O-CE1 2.92Å; V442-V468 WeakPolarHBondContact O-CG1 3.46Å |
| 443 | S | 74.6 | Confident | 82 | Confident | 56 Ų | 56 | 36.7 Ų | 36.7 | 39% | 0.392 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -81.5 | 148.9 | 171.5 | 50.7 | 0 | 0 | 0 | 0 | 111.6 | S415 V468 | S415-S443 WeakPolarHBondContact CB-O 3.17Å; S415-S443 PolarHBondContact OG-O 3.5Å; S443-V468 CarbonylContact C-O 3.54Å; S443-V468 WeakPolarHBondContact CA-O 3.22Å |
| 444 | G | 73.8 | Confident | 81.5 | Confident | 9 Ų | 9 | 41.5 Ų | 41.5 | 9% | 0.093 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 115.8 | -168.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | H446 V468 | G444-H446 PolarHBondContact O-ND1 3.48Å; G444-V468 PolarHBondContact N-O 3.29Å; G444-V468 PolarHBondContact O-N 2.78Å |
| 445 | L | 79.7 | Confident | 80.9 | Confident | 77 Ų | 77 | 48.6 Ų | 48.6 | 40% | 0.403 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 143.8 | -177.9 | -165.8 | 65.6 | 0 | 0 | 0 | 112.1 | D414 S415 E465 V466 W467 | D414-L445 CarbonylContact C-O 3.56Å; S415-L445 WeakPolarHBondContact CA-O 3.46Å; S415-L445 VanDerWaalsContact CB-O 3.24Å; S415-L445 WeakPolarHBondContact CB-O 3.27Å; S415-L445 PolarHBondContact N-O 2.88Å; L445-E465 HydrophobicContact CD1-CB 4.36Å; L445-V466 CarbonylContact C-O 3.44Å; L445-V466 WeakPolarHBondContact CA-O 3.19Å; L445-W467 HydrophobicContact CB-CE3 3.82Å; L445-W467 HydrophobicContact CB-CZ3 4.06Å; L445-W467 HydrophobicContact CD1-CE3 4.27Å |
| 446 | H | 82 | Confident | 80.2 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 1% | 0.014 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 160 | 178.3 | -74.3 | 48 | 0 | 0 | 0 | 109.7 | L413 V442 G444 E465 V466 V468 | L413-H446 CarbonylContact O-C 3.48Å; L413-H446 WeakPolarHBondContact O-CA 3.37Å; L413-H446 VanDerWaalsContact O-CB 3.27Å; L413-H446 WeakPolarHBondContact O-CB 3.35Å; V442-H446 PolarHBondContact O-CE1 2.92Å; G444-H446 PolarHBondContact O-ND1 3.48Å; H446-E465 CarbonylContact O-C 3.56Å; H446-E465 WeakPolarHBondContact O-CA 3.41Å; H446-V466 PolarHBondContact N-O 3.05Å; H446-V466 PolarHBondContact O-N 2.86Å; H446-V468 WeakPolarHBondContact ND1-CG2 3.38Å |
| 447 | S | 83.8 | Confident | 79.6 | Confident | 29 Ų | 29 | 49 Ų | 49 | 20% | 0.203 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 143.3 | 178.9 | -166.5 | 0 | 0 | 0 | 0 | 113.6 | I412 L413 F464 | I412-S447 CarbonylContact C-O 3.48Å; I412-S447 WeakPolarHBondContact CA-O 3.48Å; L413-S447 PolarHBondContact N-O 2.95Å; L413-S447 PolarHBondContact O-N 3.11Å; S447-F464 CarbonylContact C-O 2.83Å; S447-F464 WeakPolarHBondContact CA-O 3.29Å; S447-F464 PolarHBondContact OG-O 2.98Å |
| 448 | I | 89.2 | Confident | 78.4 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 132 | -166.2 | -60.4 | 169 | 0 | 0 | 0 | 112.3 | G383 L384 F396 S411 I412 Y438 P463 F464 V466 | G383-I448 VanDerWaalsContact O-CD1 3.26Å; G383-I448 WeakPolarHBondContact O-CD1 3.35Å; L384-I448 HydrophobicContact CD2-CB 4.35Å; L384-I448 HydrophobicContact CD2-CD1 3.8Å; L384-I448 HydrophobicContact CD2-CG2 3.96Å; F396-I448 HydrophobicContact CE1-CG2 3.59Å; F396-I448 HydrophobicContact CZ-CG2 3.55Å; S411-I448 WeakPolarHBondContact O-CA 3.01Å; I412-I448 HydrophobicContact CG1-CG1 4.17Å; I412-I448 HydrophobicContact CG1-CG2 4.29Å; I412-I448 HydrophobicContact CG2-CG1 4.08Å; Y438-I448 HydrophobicContact CE1-CD1 3.88Å; I448-P463 CarbonylContact O-C 3.51Å; I448-P463 WeakPolarHBondContact O-CA 3.37Å; I448-P463 WeakPolarHBondContact O-CB 3.41Å; I448-F464 HydrophobicContact CB-CB 4.48Å; I448-F464 HydrophobicContact CB-CD2 4.46Å; I448-F464 HydrophobicContact CG2-CD2 4.44Å; I448-F464 PolarHBondContact N-O 2.92Å; I448-F464 PolarHBondContact O-N 2.98Å; I448-V466 HydrophobicContact CD1-CG2 4.17Å |
| 449 | S | 84.1 | Confident | 77.2 | Confident | 26 Ų | 26 | 53.5 Ų | 53.5 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 152.7 | -176.2 | -51.5 | 0 | 0 | 0 | 0 | 114.8 | V410 S411 S462 | V410-S449 VanDerWaalsContact CA-O 3.29Å; V410-S449 WeakPolarHBondContact CA-O 3.48Å; V410-S449 WeakPolarHBondContact CG1-O 3.32Å; S411-S449 PolarHBondContact N-O 3.3Å; S411-S449 PolarHBondContact O-N 3.41Å; S449-S462 WeakPolarHBondContact CA-OG 3.38Å |
| 450 | V | 87.5 | Confident | 76 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 139.5 | -178.4 | -174.7 | 0 | 0 | 0 | 0 | 113.9 | V379 F396 I398 Q409 V410 L456 V457 S462 | V379-V450 HydrophobicContact CG1-CG2 4.1Å; V379-V450 HydrophobicContact CG2-CB 4.14Å; V379-V450 HydrophobicContact CG2-CG1 4Å; V379-V450 HydrophobicContact CG2-CG2 4.15Å; F396-V450 HydrophobicContact CE2-CG2 3.86Å; F396-V450 HydrophobicContact CZ-CG2 4.43Å; I398-V450 HydrophobicContact CD1-CG1 3.52Å; I398-V450 HydrophobicContact CD1-CG2 4.41Å; I398-V450 HydrophobicContact CG1-CG1 4Å; I398-V450 HydrophobicContact CG2-CG1 4.44Å; Q409-V450 CarbonylContact O-C 3.52Å; Q409-V450 WeakPolarHBondContact O-CA 3.4Å; V410-V450 HydrophobicContact CG2-CB 4.49Å; V410-V450 HydrophobicContact CG2-CG1 4.2Å; V410-V450 HydrophobicContact CG2-CG2 4.14Å; V450-L456 WeakPolarHBondContact O-CD1 3.4Å; V450-V457 HydrophobicContact CG1-CB 4.17Å; V450-V457 HydrophobicContact CG1-CG2 4.07Å; V450-V457 PolarHBondContact O-N 3.32Å; V450-S462 PolarHBondContact N-OG 2.81Å |
| 451 | F | 80.9 | Confident | 75.2 | Confident | 57 Ų | 57 | 62.8 Ų | 62.8 | 25% | 0.25 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 159.8 | -176.2 | -52.3 | -101.8 | 0 | 0 | 0 | 113 | F408 Q409 E455 L456 | F408-F451 WeakPolarHBondContact CA-O 3.09Å; Q409-F451 HydrophobicContact CB-CB 4.22Å; Q409-F451 PolarHBondContact N-O 2.76Å; Q409-F451 PolarHBondContact O-N 3.46Å; F451-E455 CarbonylContact C-O 3.46Å; F451-E455 WeakPolarHBondContact CA-O 3.46Å; F451-E455 VanDerWaalsContact CB-O 3.32Å; F451-E455 WeakPolarHBondContact CB-O 3.35Å; F451-L456 HydrophobicContact CD1-CB 4.11Å; F451-L456 HydrophobicContact CD1-CD1 3.78Å; F451-L456 HydrophobicContact CE1-CB 4.22Å; F451-L456 HydrophobicContact CE1-CD1 3.42Å; F451-L456 VanDerWaalsContact CE1-CD1 3.42Å; F451-L456 HydrophobicContact CE1-CG 4.44Å; F451-L456 HydrophobicContact CE2-CD1 4.2Å; F451-L456 HydrophobicContact CG-CD1 4.31Å; F451-L456 HydrophobicContact CZ-CD1 3.64Å |
| 452 | Y | 77.8 | Confident | 75.2 | Confident | 29 Ų | 29 | 58.6 Ų | 58.6 | 11% | 0.114 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 134.2 | 168.5 | 175.1 | -89.4 | 0 | 0 | 0 | 110.4 | I374 M377 G403 D407 F408 H454 E455 | I374-Y452 HydrophobicContact CD1-CD1 3.76Å; I374-Y452 HydrophobicContact CD1-CE1 3.58Å; I374-Y452 HydrophobicContact CG1-CD1 4.11Å; I374-Y452 HydrophobicContact CG1-CE1 3.81Å; M377-Y452 HydrophobicContact CE-CD1 3.8Å; M377-Y452 HydrophobicContact CE-CD2 3.72Å; M377-Y452 HydrophobicContact CE-CE1 3.79Å; M377-Y452 HydrophobicContact CE-CE2 3.64Å; M377-Y452 HydrophobicContact CE-CG 3.76Å; M377-Y452 HydrophobicContact SD-CD1 3.97Å; M377-Y452 HydrophobicContact SD-CD2 3.97Å; M377-Y452 HydrophobicContact SD-CE2 4.49Å; M377-Y452 HydrophobicContact SD-CG 3.63Å; G403-Y452 VanDerWaalsContact CA-OH 3.27Å; G403-Y452 WeakPolarHBondContact CA-OH 3.49Å; D407-Y452 HydrophobicContact CB-CD2 3.97Å; D407-Y452 HydrophobicContact CB-CE2 3.61Å; D407-Y452 CarbonylContact O-C 3.59Å; D407-Y452 WeakPolarHBondContact O-CA 3.13Å; F408-Y452 AromaticContact CD1-CD2 3.88Å; F408-Y452 HydrophobicContact CD1-CD2 3.88Å; F408-Y452 HydrophobicContact CD1-CG 4.41Å; F408-Y452 AromaticContact CD2-CD2 3.62Å; F408-Y452 HydrophobicContact CD2-CD2 3.62Å; F408-Y452 HydrophobicContact CD2-CE2 4.07Å; F408-Y452 AromaticContact CE1-CD2 3.59Å; F408-Y452 HydrophobicContact CE1-CD2 3.59Å; F408-Y452 HydrophobicContact CE1-CG 4.08Å; F408-Y452 AromaticContact CE2-CD2 3.3Å; F408-Y452 HydrophobicContact CE2-CD2 3.3Å; F408-Y452 AromaticContact CE2-CE2 3.56Å; F408-Y452 HydrophobicContact CE2-CE2 3.56Å; F408-Y452 HydrophobicContact CE2-CG 4.47Å; F408-Y452 AromaticContact CG-CD2 3.88Å; F408-Y452 HydrophobicContact CG-CD2 3.88Å; F408-Y452 AromaticContact CZ-CD2 3.26Å; F408-Y452 HydrophobicContact CZ-CD2 3.26Å; F408-Y452 AromaticContact CZ-CE2 3.83Å; F408-Y452 HydrophobicContact CZ-CE2 3.83Å; F408-Y452 HydrophobicContact CZ-CG 4.09Å; Y452-H454 PolarHBondContact O-N 2.97Å; Y452-H454 VanDerWaalsContact O-N 3.14Å; Y452-E455 PolarHBondContact N-O 2.81Å; Y452-E455 PolarHBondContact O-N 3.44Å |
| 453 | D | 76.6 | Confident | 75 | Confident | 103 Ų | 103 | 60.5 Ų | 60.5 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.8 | 43.3 | -174 | -163.1 | 15.9 | 0 | 0 | 0 | 111.9 | D407 E455 | D407-D453 PolarHBondContact O-N 2.92Å; D453-E455 PolarHBondContact O-N 3.02Å |
| 454 | H | 71.2 | Confident | 75.5 | Confident | 152 Ų | 152 | 59.5 Ų | 59.5 | 70% | 0.704 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | -7.3 | -172.6 | -50.4 | -64.6 | 0 | 0 | 0 | 117.3 | Y452 | Y452-H454 PolarHBondContact O-N 2.97Å; Y452-H454 VanDerWaalsContact O-N 3.14Å |
| 455 | E | 68.8 | Low | 75.9 | Confident | 149 Ų | 149 | 65.9 Ų | 65.9 | 70% | 0.696 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 144.6 | 167.1 | -72.7 | -153.8 | 129.5 | 0 | 0 | 111.7 | F451 Y452 D453 | F451-E455 CarbonylContact C-O 3.46Å; F451-E455 WeakPolarHBondContact CA-O 3.46Å; F451-E455 VanDerWaalsContact CB-O 3.32Å; F451-E455 WeakPolarHBondContact CB-O 3.35Å; Y452-E455 PolarHBondContact N-O 2.81Å; Y452-E455 PolarHBondContact O-N 3.44Å; D453-E455 PolarHBondContact O-N 3.02Å |
| 456 | L | 73.7 | Confident | 76 | Confident | 73 Ų | 73 | 62.2 Ų | 62.2 | 38% | 0.382 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 132 | 176.2 | -170.7 | 80.6 | 0 | 0 | 0 | 110.4 | V450 F451 S458 | V450-L456 WeakPolarHBondContact O-CD1 3.4Å; F451-L456 HydrophobicContact CD1-CB 4.11Å; F451-L456 HydrophobicContact CD1-CD1 3.78Å; F451-L456 HydrophobicContact CE1-CB 4.22Å; F451-L456 HydrophobicContact CE1-CD1 3.42Å; F451-L456 VanDerWaalsContact CE1-CD1 3.42Å; F451-L456 HydrophobicContact CE1-CG 4.44Å; F451-L456 HydrophobicContact CE2-CD1 4.2Å; F451-L456 HydrophobicContact CG-CD1 4.31Å; F451-L456 HydrophobicContact CZ-CD1 3.64Å; L456-S458 PolarHBondContact O-N 2.94Å |
| 457 | V | 74.6 | Confident | 75.7 | Confident | 11 Ų | 11 | 69.1 Ų | 69.1 | 7% | 0.067 | 35% | 0.351 | C | S | . | . | trans | -74.9 | 75.3 | 174 | -174.9 | 0 | 0 | 0 | 0 | 109.1 | M377 V379 V450 S459 | M377-V457 HydrophobicContact CB-CG1 4.2Å; V379-V457 HydrophobicContact CG2-CB 4.5Å; V379-V457 HydrophobicContact CG2-CG1 4.03Å; V450-V457 HydrophobicContact CG1-CB 4.17Å; V450-V457 HydrophobicContact CG1-CG2 4.07Å; V450-V457 PolarHBondContact O-N 3.32Å; V457-S459 VanDerWaalsContact C-N 3.27Å; V457-S459 PolarHBondContact O-N 3.4Å | ||
| 458 | S | 60 | Low | 75.4 | Confident | 92 Ų | 92 | 67.8 Ų | 67.8 | 64% | 0.643 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -73 | -12.7 | -167.7 | 53.2 | 0 | 0 | 0 | 0 | 114.6 | L456 N460 | L456-S458 PolarHBondContact O-N 2.94Å; S458-N460 VanDerWaalsContact C-N 3.26Å; S458-N460 PolarHBondContact O-N 3.13Å; S458-N460 VanDerWaalsContact O-N 3.16Å |
| 459 | S | 62.1 | Low | 74.3 | Confident | 68 Ų | 68 | 69.5 Ų | 69.5 | 48% | 0.476 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -57.9 | -30.9 | -173.3 | 52 | 0 | 0 | 0 | 0 | 114.7 | M377 V457 | M377-S459 PolarHBondContact O-OG 2.86Å; V457-S459 VanDerWaalsContact C-N 3.27Å; V457-S459 PolarHBondContact O-N 3.4Å |
| 460 | N | 60.7 | Low | 73.4 | Confident | 67 Ų | 67 | 72.7 Ų | 72.7 | 36% | 0.358 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -123.6 | 33.1 | -172.8 | -86.8 | 7.6 | 0 | 0 | 0 | 115.3 | V379 S458 S462 F464 | V379-N460 HydrophobicContact CB-CB 4.41Å; V379-N460 PolarHBondContact N-ND2 2.98Å; V379-N460 WeakPolarHBondContact O-CB 3.42Å; V379-N460 PolarHBondContact O-ND2 3.04Å; S458-N460 VanDerWaalsContact C-N 3.26Å; S458-N460 PolarHBondContact O-N 3.13Å; S458-N460 VanDerWaalsContact O-N 3.16Å; N460-S462 PolarHBondContact O-N 2.79Å; N460-F464 WeakPolarHBondContact O-CE1 3.5Å; N460-F464 WeakPolarHBondContact O-CZ 3.47Å |
| 461 | K | 64.6 | Low | 72.1 | Confident | 179 Ų | 179 | 76.9 Ų | 76.9 | 78% | 0.778 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 33.7 | 174.6 | -48.1 | -179 | 179.9 | -178.4 | 0 | 116.3 | P463 | K461-P463 CarbonylContact O-C 3.42Š|
| 462 | S | 75.6 | Confident | 71.3 | Confident | 10 Ų | 10 | 77.8 Ų | 77.8 | 7% | 0.07 | 42% | 0.415 | C | S | . | . | trans | -61.5 | 126.6 | 159.1 | 163.5 | 0 | 0 | 0 | 0 | 108.7 | S449 V450 N460 | S449-S462 WeakPolarHBondContact CA-OG 3.38Å; V450-S462 PolarHBondContact N-OG 2.81Å; N460-S462 PolarHBondContact O-N 2.79Å | ||
| 463 | P | 74.4 | Confident | 70.5 | Confident | 81 Ų | 81 | 80.5 Ų | 80.5 | 53% | 0.526 | 43% | 0.431 | S | S | . | . | S | Bend | cis | -91.6 | 155.3 | 9.7 | 35.8 | -36.4 | 0 | 0 | 0 | 116.5 | I448 K461 | I448-P463 CarbonylContact O-C 3.51Å; I448-P463 WeakPolarHBondContact O-CA 3.37Å; I448-P463 WeakPolarHBondContact O-CB 3.41Å; K461-P463 CarbonylContact O-C 3.42Å |
| 464 | F | 84.9 | Confident | 70 | Confident | 35 Ų | 35 | 76.7 Ų | 76.7 | 15% | 0.154 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 146.4 | -179.8 | -49.6 | -89.2 | 0 | 0 | 0 | 112.2 | V379 L384 S447 I448 N460 | V379-F464 HydrophobicContact CG1-CE2 4.41Å; L384-F464 HydrophobicContact CB-CB 4.48Å; L384-F464 HydrophobicContact CB-CD1 4.4Å; L384-F464 HydrophobicContact CB-CG 4.35Å; L384-F464 HydrophobicContact CD1-CD1 4.21Å; L384-F464 HydrophobicContact CD1-CD2 4.11Å; L384-F464 HydrophobicContact CD1-CE1 4.04Å; L384-F464 HydrophobicContact CD1-CE2 3.93Å; L384-F464 HydrophobicContact CD1-CG 4.25Å; L384-F464 HydrophobicContact CD1-CZ 3.89Å; L384-F464 HydrophobicContact CD2-CB 4.24Å; L384-F464 HydrophobicContact CD2-CD2 3.75Å; L384-F464 HydrophobicContact CD2-CE2 4.27Å; L384-F464 HydrophobicContact CD2-CG 4Å; L384-F464 HydrophobicContact CG-CD2 4.44Å; L384-F464 HydrophobicContact CG-CG 4.42Å; S447-F464 CarbonylContact C-O 2.83Å; S447-F464 WeakPolarHBondContact CA-O 3.29Å; S447-F464 PolarHBondContact OG-O 2.98Å; I448-F464 HydrophobicContact CB-CB 4.48Å; I448-F464 HydrophobicContact CB-CD2 4.46Å; I448-F464 HydrophobicContact CG2-CD2 4.44Å; I448-F464 PolarHBondContact N-O 2.92Å; I448-F464 PolarHBondContact O-N 2.98Å; N460-F464 WeakPolarHBondContact O-CE1 3.5Å; N460-F464 WeakPolarHBondContact O-CZ 3.47Å |
| 465 | E | 81.8 | Confident | 69.9 | Low | 142 Ų | 142 | 75 Ų | 75 | 66% | 0.664 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111 | 141 | 177.5 | -63.9 | -175.5 | 154.4 | 0 | 0 | 112.8 | L445 H446 | L445-E465 HydrophobicContact CD1-CB 4.36Å; H446-E465 CarbonylContact O-C 3.56Å; H446-E465 WeakPolarHBondContact O-CA 3.41Å |
| 466 | V | 82.1 | Confident | 70.2 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 128.9 | -170.6 | 179.4 | 0 | 0 | 0 | 0 | 112.7 | R385 L388 L445 H446 I448 | R385-V466 WeakPolarHBondContact O-CG1 3.48Å; L388-V466 HydrophobicContact CD1-CG1 3.55Å; L388-V466 HydrophobicContact CG-CG1 3.96Å; L445-V466 CarbonylContact C-O 3.44Å; L445-V466 WeakPolarHBondContact CA-O 3.19Å; H446-V466 PolarHBondContact N-O 3.05Å; H446-V466 PolarHBondContact O-N 2.86Å; I448-V466 HydrophobicContact CD1-CG2 4.17Å |
| 467 | W | 75.1 | Confident | 70.6 | Confident | 149 Ų | 149 | 69.7 Ų | 69.7 | 56% | 0.564 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 139.4 | 175.8 | -172.1 | -89.3 | 0 | 0 | 0 | 114.1 | S386 G387 L388 L445 | S386-W467 PolarHBondContact OG-N 2.96Å; G387-W467 PolarHBondContact N-O 3.19Å; G387-W467 VanDerWaalsContact N-O 3.14Å; L388-W467 PolarHBondContact N-O 2.68Å; L445-W467 HydrophobicContact CB-CE3 3.82Å; L445-W467 HydrophobicContact CB-CZ3 4.06Å; L445-W467 HydrophobicContact CD1-CE3 4.27Å |
| 468 | V | 77.6 | Confident | 71 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 130 | -177 | -169.4 | 0 | 0 | 0 | 0 | 111.9 | L388 V390 P440 V442 S443 G444 H446 | L388-V468 HydrophobicContact CB-CG1 4.32Å; L388-V468 HydrophobicContact CB-CG2 4.15Å; L388-V468 CarbonylContact O-C 3.57Å; L388-V468 WeakPolarHBondContact O-CA 3.42Å; V390-V468 HydrophobicContact CG2-CG1 3.97Å; P440-V468 HydrophobicContact CB-CG1 4.07Å; P440-V468 HydrophobicContact CB-CG2 3.82Å; P440-V468 HydrophobicContact CG-CG1 4.12Å; P440-V468 HydrophobicContact CG-CG2 4.18Å; V442-V468 WeakPolarHBondContact O-CG1 3.46Å; S443-V468 CarbonylContact C-O 3.54Å; S443-V468 WeakPolarHBondContact CA-O 3.22Å; G444-V468 PolarHBondContact N-O 3.29Å; G444-V468 PolarHBondContact O-N 2.78Å; H446-V468 WeakPolarHBondContact ND1-CG2 3.38Å |
| 469 | A | 66.1 | Low | 72.4 | Confident | 36 Ų | 36 | 70.2 Ų | 70.2 | 30% | 0.298 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 152.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L388 V390 | L388-A469 PolarHBondContact O-N 2.64Å; V390-A469 PolarHBondContact N-O 3.19Å |
| 470 | P | 65.3 | Low | 73.5 | Confident | 93 Ų | 93 | 68.8 Ų | 68.8 | 60% | 0.604 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 161.6 | 170.6 | 32 | -36.4 | 0 | 0 | 0 | 112 | ||
| 471 | A | 61.3 | Low | 75 | Confident | 88 Ų | 88 | 65.9 Ų | 65.9 | 73% | 0.727 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -78 | 128.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 472 | F | 63.1 | Low | 76.3 | Confident | 77 Ų | 77 | 59 Ų | 59 | 34% | 0.338 | 31% | 0.314 | S | S | . | . | trans | -132.8 | 138.7 | 172.8 | 169 | -99.4 | 0 | 0 | 0 | 108.6 | A474 I477 Y556 | F472-A474 HydrophobicContact CD1-CB 4.39Å; F472-A474 HydrophobicContact CE1-CB 4.23Å; F472-A474 PolarHBondContact O-N 2.82Å; F472-I477 HydrophobicContact CE1-CD1 3.9Å; F472-I477 HydrophobicContact CZ-CD1 4.03Å; F472-I477 HydrophobicContact CZ-CG1 4.33Å; F472-Y556 AromaticContact CD1-CD1 3.85Å; F472-Y556 HydrophobicContact CD1-CD1 3.85Å; F472-Y556 AromaticContact CD1-CE1 3.73Å; F472-Y556 HydrophobicContact CD1-CE1 3.73Å; F472-Y556 HydrophobicContact CD2-CE1 4.29Å; F472-Y556 AromaticContact CE1-CD1 3.37Å; F472-Y556 HydrophobicContact CE1-CD1 3.37Å; F472-Y556 AromaticContact CE1-CE1 3.27Å; F472-Y556 HydrophobicContact CE1-CE1 3.27Å; F472-Y556 HydrophobicContact CE1-CG 4.42Å; F472-Y556 AromaticContact CE2-CE1 3.91Å; F472-Y556 HydrophobicContact CE2-CE1 3.91Å; F472-Y556 HydrophobicContact CG-CE1 4.22Å; F472-Y556 AromaticContact CZ-CD1 3.92Å; F472-Y556 HydrophobicContact CZ-CD1 3.92Å; F472-Y556 AromaticContact CZ-CE1 3.38Å; F472-Y556 HydrophobicContact CZ-CE1 3.38Å; F472-Y556 AromaticContact CZ-CZ 3.98Å | ||
| 473 | D | 62 | Low | 77 | Confident | 85 Ų | 85 | 58.6 Ų | 58.6 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | trans | -91 | 92.5 | 179.5 | -169.2 | 5.3 | 0 | 0 | 0 | 111.7 | N475 R476 | D473-N475 PolarHBondContact O-N 2.9Å; D473-N475 VanDerWaalsContact O-N 3.09Å; D473-N475 VanDerWaalsContact OD1-CB 3.31Å; D473-N475 WeakPolarHBondContact OD1-CB 3.36Å; D473-N475 PolarHBondContact OD1-N 2.87Å; D473-N475 VanDerWaalsContact OD1-N 3.09Å; D473-N475 PolarHBondContact OD1-ND2 2.99Å; D473-R476 PolarHBondContact O-N 2.85Å | ||
| 474 | A | 64.9 | Low | 77.8 | Confident | 23 Ų | 23 | 55.4 Ų | 55.4 | 19% | 0.19 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -62.3 | -12.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | F472 R476 I477 L561 | F472-A474 HydrophobicContact CD1-CB 4.39Å; F472-A474 HydrophobicContact CE1-CB 4.23Å; F472-A474 PolarHBondContact O-N 2.82Å; A474-R476 PolarHBondContact O-N 2.93Å; A474-I477 PolarHBondContact O-N 2.86Å; A474-L561 HydrophobicContact CB-CD2 4.33Å |
| 475 | N | 69.1 | Low | 78.1 | Confident | 116 Ų | 116 | 55.3 Ų | 55.3 | 62% | 0.62 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -71.4 | -14.3 | 176.9 | -56.8 | -67 | 0 | 0 | 0 | 113.2 | D473 I477 H478 | D473-N475 PolarHBondContact O-N 2.9Å; D473-N475 VanDerWaalsContact O-N 3.09Å; D473-N475 VanDerWaalsContact OD1-CB 3.31Å; D473-N475 WeakPolarHBondContact OD1-CB 3.36Å; D473-N475 PolarHBondContact OD1-N 2.87Å; D473-N475 VanDerWaalsContact OD1-N 3.09Å; D473-N475 PolarHBondContact OD1-ND2 2.99Å; N475-I477 VanDerWaalsContact C-N 3.27Å; N475-H478 PolarHBondContact O-CE1 2.82Å; N475-H478 VanDerWaalsContact O-CE1 3.25Å |
| 476 | R | 75.6 | Confident | 78.4 | Confident | 107 Ų | 107 | 51.8 Ų | 51.8 | 40% | 0.404 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -73.7 | -15.5 | 170.9 | -70.7 | -173.1 | 160.4 | -172.2 | -17.6 | 113.9 | D473 A474 H478 C502 D504 | D473-R476 PolarHBondContact O-N 2.85Å; A474-R476 PolarHBondContact O-N 2.93Å; R476-H478 PolarHBondContact O-N 3.1Å; R476-C502 PolarHBondContact O-SG 3.15Å; R476-D504 IonicContact CZ-OD2 3.6Å; R476-D504 IonicContact NH1-OD2 2.63Å; R476-D504 PolarHBondContact NH1-OD2 2.79Å |
| 477 | I | 82 | Confident | 78.8 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 114.6 | 177.6 | -59.9 | 174.2 | 0 | 0 | 0 | 108.3 | F472 A474 N475 V500 T501 C502 L536 Y556 L561 | F472-I477 HydrophobicContact CE1-CD1 3.9Å; F472-I477 HydrophobicContact CZ-CD1 4.03Å; F472-I477 HydrophobicContact CZ-CG1 4.33Å; A474-I477 PolarHBondContact O-N 2.86Å; N475-I477 VanDerWaalsContact C-N 3.27Å; I477-V500 HydrophobicContact CG2-CG1 3.6Å; I477-T501 CarbonylContact C-O 3.42Å; I477-T501 WeakPolarHBondContact CA-O 3.29Å; I477-C502 HydrophobicContact CG1-CB 4.16Å; I477-L536 HydrophobicContact CG2-CD2 4.46Å; I477-Y556 HydrophobicContact CD1-CD1 3.87Å; I477-Y556 HydrophobicContact CD1-CD2 3.83Å; I477-Y556 HydrophobicContact CD1-CE1 4.41Å; I477-Y556 HydrophobicContact CD1-CE2 4.38Å; I477-Y556 HydrophobicContact CD1-CG 3.54Å; I477-L561 HydrophobicContact CB-CD1 4.37Å; I477-L561 HydrophobicContact CB-CD2 4.24Å; I477-L561 HydrophobicContact CD1-CD2 3.91Å; I477-L561 HydrophobicContact CG2-CD1 3.72Å; I477-L561 HydrophobicContact CG2-CD2 4.32Å |
| 478 | H | 81.9 | Confident | 79.4 | Confident | 100 Ų | 100 | 46.9 Ų | 46.9 | 46% | 0.463 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 138.9 | 179.9 | -58.6 | -34.6 | 0 | 0 | 0 | 110.5 | N475 R476 V500 T501 | N475-H478 PolarHBondContact O-CE1 2.82Å; N475-H478 VanDerWaalsContact O-CE1 3.25Å; R476-H478 PolarHBondContact O-N 3.1Å; H478-V500 WeakPolarHBondContact O-CA 3.36Å; H478-T501 PolarHBondContact N-O 2.85Å; H478-T501 PolarHBondContact O-N 2.82Å; H478-T501 PolarHBondContact O-OG1 2.97Å |
| 479 | V | 89.4 | Confident | 80.1 | Confident | 14 Ų | 14 | 46.9 Ų | 46.9 | 9% | 0.085 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 119.2 | -179.5 | -171.6 | 0 | 0 | 0 | 0 | 107.8 | I484 F498 R499 V500 I554 L561 F566 | V479-I484 HydrophobicContact CG1-CD1 4.22Å; V479-I484 HydrophobicContact CG1-CG1 3.99Å; V479-I484 HydrophobicContact CG1-CG2 4.35Å; V479-F498 HydrophobicContact CG1-CD2 4.24Å; V479-R499 WeakPolarHBondContact CA-O 3.4Å; V479-V500 HydrophobicContact CG1-CG2 4.31Å; V479-V500 HydrophobicContact CG2-CG1 4.35Å; V479-V500 HydrophobicContact CG2-CG2 4.32Å; V479-I554 HydrophobicContact CG1-CD1 3.81Å; V479-I554 HydrophobicContact CG2-CD1 4.07Å; V479-L561 HydrophobicContact CG2-CD1 4.04Å; V479-F566 HydrophobicContact CB-CE1 4.26Å; V479-F566 HydrophobicContact CB-CE2 4.22Å; V479-F566 HydrophobicContact CB-CZ 3.67Å; V479-F566 HydrophobicContact CG1-CE1 4.36Å; V479-F566 HydrophobicContact CG1-CE2 4.19Å; V479-F566 HydrophobicContact CG1-CZ 3.96Å; V479-F566 HydrophobicContact CG2-CE2 4.12Å; V479-F566 HydrophobicContact CG2-CZ 3.9Å |
| 480 | V | 86.7 | Confident | 81.2 | Confident | 38 Ų | 38 | 45.5 Ų | 45.5 | 23% | 0.23 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 161.3 | -172.1 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | F498 R499 E640 | V480-F498 CarbonylContact O-C 3.58Å; V480-F498 WeakPolarHBondContact O-CA 3.42Å; V480-F498 WeakPolarHBondContact O-CB 3.42Å; V480-R499 HydrophobicContact CG2-CB 4.09Å; V480-R499 PolarHBondContact N-O 2.94Å; V480-R499 PolarHBondContact O-N 2.9Å; V480-E640 HydrophobicContact CB-CB 4.15Å; V480-E640 HydrophobicContact CG1-CB 4.43Å; V480-E640 HydrophobicContact CG2-CB 4.37Å |
| 481 | G | 91 | Very high | 82.1 | Confident | 5 Ų | 5 | 43.5 Ų | 43.5 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | S | Bend | trans | 116 | 158.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | G483 I484 S497 E640 | G481-G483 PolarHBondContact O-N 2.83Å; G481-G483 VanDerWaalsContact O-N 3.14Å; G481-I484 WeakPolarHBondContact O-CG1 3.37Å; G481-I484 PolarHBondContact O-N 2.88Å; G481-S497 CarbonylContact C-O 3.54Å; G481-E640 WeakPolarHBondContact CA-OE1 3.34Å; G481-E640 PolarHBondContact N-OE1 2.84Å |
| 482 | R | 92.6 | Very high | 82.9 | Confident | 36 Ų | 36 | 41.8 Ų | 41.8 | 14% | 0.136 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -59.6 | -29.8 | -175.5 | -161.5 | 169.8 | 174.4 | -86.2 | -6.5 | 112.4 | I484 Q485 G488 V489 D493 S497 D654 S655 P656 M658 | R482-I484 VanDerWaalsContact C-N 3.27Å; R482-I484 PolarHBondContact O-N 2.9Å; R482-Q485 PolarHBondContact O-N 2.89Å; R482-G488 PolarHBondContact NH2-O 3.14Å; R482-V489 HydrophobicContact CG-CG2 4.45Å; R482-V489 VanDerWaalsContact O-CG2 3.28Å; R482-V489 WeakPolarHBondContact O-CG2 3.42Å; R482-D493 IonicContact CZ-OD2 3.74Å; R482-D493 IonicContact NH1-OD2 3.76Å; R482-D493 PolarHBondContact NH1-OD2 2.8Å; R482-D493 IonicContact NH2-OD2 3.04Å; R482-D493 PolarHBondContact NH2-OD2 3.13Å; R482-S497 PolarHBondContact N-O 3.37Å; R482-D654 PolarHBondContact NE-O 2.98Å; R482-D654 PolarHBondContact NH2-O 3.03Å; R482-S655 PolarHBondContact NH2-O 3.31Å; R482-P656 VanDerWaalsContact CD-O 3.23Å; R482-P656 WeakPolarHBondContact CD-O 3.27Å; R482-P656 HydrophobicContact CG-CG 4.45Å; R482-P656 PolarHBondContact NE-O 3.05Å; R482-M658 HydrophobicContact CB-CG 3.65Å; R482-M658 HydrophobicContact CB-SD 4.26Å; R482-M658 HydrophobicContact CG-CG 4.39Å |
| 483 | G | 90.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -74.3 | -2.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | G481 S497 Y542 | G481-G483 PolarHBondContact O-N 2.83Å; G481-G483 VanDerWaalsContact O-N 3.14Å; G483-S497 PolarHBondContact N-O 2.82Å; G483-Y542 WeakPolarHBondContact O-CE1 3.42Å; G483-Y542 PolarHBondContact O-OH 2.86Å |
| 484 | I | 91.5 | Very high | 84.8 | Confident | 15 Ų | 15 | 45.6 Ų | 45.6 | 8% | 0.077 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -123.6 | 6.5 | 172.3 | 54.7 | 92.6 | 0 | 0 | 0 | 113.4 | V479 G481 R482 F498 F566 | V479-I484 HydrophobicContact CG1-CD1 4.22Å; V479-I484 HydrophobicContact CG1-CG1 3.99Å; V479-I484 HydrophobicContact CG1-CG2 4.35Å; G481-I484 WeakPolarHBondContact O-CG1 3.37Å; G481-I484 PolarHBondContact O-N 2.88Å; R482-I484 VanDerWaalsContact C-N 3.27Å; R482-I484 PolarHBondContact O-N 2.9Å; I484-F498 HydrophobicContact CB-CB 4.39Å; I484-F498 HydrophobicContact CG1-CB 3.88Å; I484-F498 HydrophobicContact CG1-CG 4.46Å; I484-F498 HydrophobicContact CG2-CB 3.85Å; I484-F498 HydrophobicContact CG2-CD1 3.77Å; I484-F498 HydrophobicContact CG2-CD2 3.74Å; I484-F498 HydrophobicContact CG2-CE1 4.17Å; I484-F498 HydrophobicContact CG2-CE2 4.15Å; I484-F498 HydrophobicContact CG2-CG 3.53Å; I484-F498 HydrophobicContact CG2-CZ 4.33Å; I484-F566 HydrophobicContact CB-CB 4.36Å; I484-F566 HydrophobicContact CB-CD1 4.1Å; I484-F566 HydrophobicContact CB-CG 4.33Å; I484-F566 HydrophobicContact CD1-CD1 4.1Å; I484-F566 HydrophobicContact CD1-CE1 4.1Å; I484-F566 HydrophobicContact CG2-CB 4.47Å |
| 485 | Q | 91.3 | Very high | 85.6 | Confident | 32 Ų | 32 | 50.1 Ų | 50.1 | 15% | 0.15 | 27% | 0.265 | C | S | . | . | trans | -67.8 | 145.8 | 173.9 | -65 | -59.8 | -20.7 | 0 | 0 | 111.1 | R482 S487 V568 P656 M658 | R482-Q485 PolarHBondContact O-N 2.89Å; Q485-S487 VanDerWaalsContact C-N 3.3Å; Q485-S487 PolarHBondContact O-N 3.14Å; Q485-V568 WeakPolarHBondContact O-CG1 3.31Å; Q485-P656 HydrophobicContact CB-CG 4.18Å; Q485-P656 HydrophobicContact CG-CG 3.93Å; Q485-M658 HydrophobicContact CG-SD 4.15Å | ||
| 486 | A | 87.9 | Confident | 86.5 | Confident | 68 Ų | 68 | 44.9 Ų | 44.9 | 56% | 0.562 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -66.2 | -33.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A569 | A486-A569 VanDerWaalsContact O-CB 3.25Å; A486-A569 WeakPolarHBondContact O-CB 3.45Å; A486-A569 PolarHBondContact O-N 2.56Å |
| 487 | S | 89.1 | Confident | 87.3 | Confident | 43 Ų | 43 | 42.5 Ų | 42.5 | 30% | 0.301 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -123.8 | -165.1 | -179.2 | 70 | 0 | 0 | 0 | 0 | 112.5 | Q485 V489 H644 D651 | Q485-S487 VanDerWaalsContact C-N 3.3Å; Q485-S487 PolarHBondContact O-N 3.14Å; S487-V489 VanDerWaalsContact C-N 3.28Å; S487-V489 PolarHBondContact O-N 2.72Å; S487-H644 PolarHBondContact OG-CE1 3.01Å; S487-D651 WeakPolarHBondContact CB-OD2 3.45Å; S487-D651 PolarHBondContact OG-OD2 3.45Å |
| 488 | G | 87.7 | Confident | 87.8 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | trans | 79.1 | -51.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | R482 R490 D651 S655 | R482-G488 PolarHBondContact NH2-O 3.14Å; G488-R490 VanDerWaalsContact O-CD 3.3Å; G488-R490 WeakPolarHBondContact O-CD 3.38Å; G488-R490 VanDerWaalsContact O-CG 3.3Å; G488-R490 WeakPolarHBondContact O-CG 3.42Å; G488-R490 PolarHBondContact O-N 2.66Å; G488-R490 PolarHBondContact O-NE 2.84Å; G488-D651 VanDerWaalsContact CA-OD2 3.29Å; G488-D651 WeakPolarHBondContact CA-OD2 3.46Å; G488-D651 PolarHBondContact N-OD2 3.43Å; G488-S655 CarbonylContact C-O 3.59Å; G488-S655 VanDerWaalsContact CA-O 3.3Å; G488-S655 WeakPolarHBondContact CA-O 3.22Å | ||
| 489 | V | 92.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -57.6 | 126.4 | -176.6 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | R482 S487 V496 P544 V568 I570 G571 | R482-V489 HydrophobicContact CG-CG2 4.45Å; R482-V489 VanDerWaalsContact O-CG2 3.28Å; R482-V489 WeakPolarHBondContact O-CG2 3.42Å; S487-V489 VanDerWaalsContact C-N 3.28Å; S487-V489 PolarHBondContact O-N 2.72Å; V489-V496 HydrophobicContact CG1-CG1 4.01Å; V489-V496 HydrophobicContact CG1-CG2 4.21Å; V489-V496 HydrophobicContact CG2-CG1 4.11Å; V489-P544 HydrophobicContact CG1-CG 3.67Å; V489-V568 HydrophobicContact CB-CG1 4.23Å; V489-V568 HydrophobicContact CG2-CG1 4.12Å; V489-I570 HydrophobicContact CB-CG1 4.38Å; V489-I570 HydrophobicContact CG1-CD1 4.03Å; V489-I570 HydrophobicContact CG1-CG1 4Å; V489-I570 HydrophobicContact CG1-CG2 4.44Å; V489-I570 CarbonylContact O-C 3.54Å; V489-I570 VanDerWaalsContact O-CA 3.32Å; V489-I570 WeakPolarHBondContact O-CA 3.48Å; V489-G571 PolarHBondContact O-N 3.3Å | ||
| 490 | R | 89 | Confident | 88.2 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -115.8 | 162.4 | 179.7 | -49.1 | -55.3 | -173.5 | 152.1 | -9.3 | 112.4 | G488 G492 D493 G571 E650 D651 | G488-R490 VanDerWaalsContact O-CD 3.3Å; G488-R490 WeakPolarHBondContact O-CD 3.38Å; G488-R490 VanDerWaalsContact O-CG 3.3Å; G488-R490 WeakPolarHBondContact O-CG 3.42Å; G488-R490 PolarHBondContact O-N 2.66Å; G488-R490 PolarHBondContact O-NE 2.84Å; R490-G492 PolarHBondContact O-N 2.82Å; R490-D493 WeakPolarHBondContact CB-OD1 3.5Å; R490-D493 PolarHBondContact N-OD2 3Å; R490-D493 WeakPolarHBondContact O-CB 3.49Å; R490-D493 PolarHBondContact O-N 2.82Å; R490-G571 CarbonylContact C-O 3.32Å; R490-G571 WeakPolarHBondContact CA-O 3.38Å; R490-E650 IonicContact CZ-OE2 2.75Å; R490-E650 VanDerWaalsContact CZ-OE2 3.25Å; R490-E650 IonicContact NH1-OE2 2.66Å; R490-E650 PolarHBondContact NH1-OE2 3.47Å; R490-E650 IonicContact NH2-OE2 2.63Å; R490-E650 PolarHBondContact NH2-OE2 3.42Å; R490-D651 PolarHBondContact NH2-O 3.24Å |
| 491 | L | 85.6 | Confident | 88.1 | Confident | 50 Ų | 50 | 41.3 Ų | 41.3 | 26% | 0.262 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 126 | 173.7 | -171.2 | 73.5 | 0 | 0 | 0 | 109.9 | V547 G571 T573 | L491-V547 HydrophobicContact CB-CG1 3.88Å; L491-V547 HydrophobicContact CD1-CG1 4.35Å; L491-V547 HydrophobicContact CD2-CG1 4.22Å; L491-V547 HydrophobicContact CG-CG1 4.38Å; L491-G571 WeakPolarHBondContact CB-O 3.24Å; L491-G571 PolarHBondContact N-O 3.48Å; L491-T573 WeakPolarHBondContact O-CB 3.25Å; L491-T573 PolarHBondContact O-OG1 3.14Å |
| 492 | G | 78 | Confident | 87.6 | Confident | 52 Ų | 52 | 41.4 Ų | 41.4 | 54% | 0.536 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95.7 | -10.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R490 R494 | R490-G492 PolarHBondContact O-N 2.82Å; G492-R494 PolarHBondContact O-N 3.06Å |
| 493 | D | 83.7 | Confident | 86.5 | Confident | 29 Ų | 29 | 45 Ų | 45 | 16% | 0.155 | 25% | 0.248 | C | C | . | . | trans | -56.2 | 129.8 | 170.7 | -68 | 6.8 | 0 | 0 | 0 | 109.8 | R482 R490 V496 P544 | R482-D493 IonicContact CZ-OD2 3.74Å; R482-D493 IonicContact NH1-OD2 3.76Å; R482-D493 PolarHBondContact NH1-OD2 2.8Å; R482-D493 IonicContact NH2-OD2 3.04Å; R482-D493 PolarHBondContact NH2-OD2 3.13Å; R490-D493 WeakPolarHBondContact CB-OD1 3.5Å; R490-D493 PolarHBondContact N-OD2 3Å; R490-D493 WeakPolarHBondContact O-CB 3.49Å; R490-D493 PolarHBondContact O-N 2.82Å; D493-V496 HydrophobicContact CB-CG2 3.44Å; D493-V496 VanDerWaalsContact CB-CG2 3.44Å; D493-P544 HydrophobicContact CB-CG 4.45Å; D493-P544 VanDerWaalsContact O-CD 3.25Å; D493-P544 WeakPolarHBondContact O-CD 3.42Å | ||
| 494 | R | 81.9 | Confident | 85.4 | Confident | 213 Ų | 213 | 46.2 Ų | 46.2 | 80% | 0.804 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -100.9 | 146.9 | -176.7 | -61.4 | -174.3 | -176.9 | -179.8 | 1.3 | 111 | G492 V496 | G492-R494 PolarHBondContact O-N 3.06Å; R494-V496 PolarHBondContact O-N 2.65Å |
| 495 | N | 80.3 | Confident | 84.1 | Confident | 119 Ų | 119 | 53 Ų | 53 | 64% | 0.636 | 29% | 0.286 | S | S | * | . | S | Bend | trans | 56.2 | 30.8 | 178.4 | -55.2 | -38.9 | 0 | 0 | 0 | 114.4 | S497 | N495-S497 WeakPolarHBondContact O-CB 3.15Å; N495-S497 PolarHBondContact O-N 3.3Å; N495-S497 PolarHBondContact O-OG 3.18Å |
| 496 | V | 89.1 | Confident | 83 | Confident | 6 Ų | 6 | 57.3 Ų | 57.3 | 4% | 0.036 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 123.8 | 175.2 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | V489 D493 R494 C541 Y542 P544 | V489-V496 HydrophobicContact CG1-CG1 4.01Å; V489-V496 HydrophobicContact CG1-CG2 4.21Å; V489-V496 HydrophobicContact CG2-CG1 4.11Å; D493-V496 HydrophobicContact CB-CG2 3.44Å; D493-V496 VanDerWaalsContact CB-CG2 3.44Å; R494-V496 PolarHBondContact O-N 2.65Å; V496-C541 CarbonylContact O-C 3.3Å; V496-C541 VanDerWaalsContact O-CA 3.29Å; V496-C541 WeakPolarHBondContact O-CA 3.37Å; V496-Y542 HydrophobicContact CB-CD2 4.47Å; V496-Y542 HydrophobicContact CB-CE1 4.46Å; V496-Y542 HydrophobicContact CB-CE2 4.22Å; V496-Y542 HydrophobicContact CG1-CE1 3.85Å; V496-Y542 HydrophobicContact CG1-CE2 3.91Å; V496-Y542 PolarHBondContact N-O 2.85Å; V496-Y542 PolarHBondContact O-N 3.18Å; V496-P544 HydrophobicContact CB-CG 4.46Å; V496-P544 HydrophobicContact CG2-CG 3.86Å |
| 497 | S | 91.4 | Very high | 82 | Confident | 56 Ų | 56 | 54.2 Ų | 54.2 | 39% | 0.392 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 155.3 | -164.9 | 47.7 | 0 | 0 | 0 | 0 | 113.8 | G481 R482 G483 N495 F540 | G481-S497 CarbonylContact C-O 3.54Å; R482-S497 PolarHBondContact N-O 3.37Å; G483-S497 PolarHBondContact N-O 2.82Å; N495-S497 WeakPolarHBondContact O-CB 3.15Å; N495-S497 PolarHBondContact O-N 3.3Å; N495-S497 PolarHBondContact O-OG 3.18Å; S497-F540 CarbonylContact C-O 3.59Å; S497-F540 WeakPolarHBondContact CA-O 3.3Å; S497-F540 WeakPolarHBondContact CB-O 3.47Å |
| 498 | F | 93.5 | Very high | 81 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.009 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 165.2 | 175.2 | 66.2 | -87.4 | 0 | 0 | 0 | 110.4 | V479 V480 I484 V500 V514 L526 F540 Y542 F552 I554 | V479-F498 HydrophobicContact CG1-CD2 4.24Å; V480-F498 CarbonylContact O-C 3.58Å; V480-F498 WeakPolarHBondContact O-CA 3.42Å; V480-F498 WeakPolarHBondContact O-CB 3.42Å; I484-F498 HydrophobicContact CB-CB 4.39Å; I484-F498 HydrophobicContact CG1-CB 3.88Å; I484-F498 HydrophobicContact CG1-CG 4.46Å; I484-F498 HydrophobicContact CG2-CB 3.85Å; I484-F498 HydrophobicContact CG2-CD1 3.77Å; I484-F498 HydrophobicContact CG2-CD2 3.74Å; I484-F498 HydrophobicContact CG2-CE1 4.17Å; I484-F498 HydrophobicContact CG2-CE2 4.15Å; I484-F498 HydrophobicContact CG2-CG 3.53Å; I484-F498 HydrophobicContact CG2-CZ 4.33Å; F498-V500 HydrophobicContact CD2-CG2 4.42Å; F498-V500 HydrophobicContact CE2-CG2 4.28Å; F498-V514 HydrophobicContact CZ-CG1 4.14Å; F498-L526 HydrophobicContact CE1-CD1 4.29Å; F498-L526 HydrophobicContact CZ-CD1 3.94Å; F498-F540 HydrophobicContact CD1-CB 4.07Å; F498-F540 HydrophobicContact CD2-CB 4.19Å; F498-F540 HydrophobicContact CD2-CD2 4.24Å; F498-F540 HydrophobicContact CE1-CB 3.64Å; F498-F540 HydrophobicContact CE2-CB 3.77Å; F498-F540 AromaticContact CE2-CD2 3.75Å; F498-F540 HydrophobicContact CE2-CD2 3.75Å; F498-F540 AromaticContact CE2-CG 3.88Å; F498-F540 HydrophobicContact CE2-CG 3.88Å; F498-F540 HydrophobicContact CG-CB 4.33Å; F498-F540 HydrophobicContact CZ-CB 3.49Å; F498-F540 VanDerWaalsContact CZ-CB 3.49Å; F498-F540 HydrophobicContact CZ-CD2 4.22Å; F498-F540 AromaticContact CZ-CG 3.86Å; F498-F540 HydrophobicContact CZ-CG 3.86Å; F498-F540 PolarHBondContact N-O 2.81Å; F498-F540 PolarHBondContact O-N 3.27Å; F498-Y542 HydrophobicContact CD1-CE1 4.26Å; F498-Y542 HydrophobicContact CE1-CD1 4.4Å; F498-Y542 HydrophobicContact CE1-CE1 4.28Å; F498-F552 AromaticContact CE1-CD1 3.84Å; F498-F552 HydrophobicContact CE1-CD1 3.84Å; F498-F552 AromaticContact CE1-CE1 3.77Å; F498-F552 HydrophobicContact CE1-CE1 3.77Å; F498-F552 AromaticContact CZ-CD1 3.91Å; F498-F552 HydrophobicContact CZ-CD1 3.91Å; F498-F552 HydrophobicContact CZ-CE1 4.29Å; F498-I554 HydrophobicContact CE2-CD1 4.32Å |
| 499 | R | 90.1 | Very high | 80.1 | Confident | 92 Ų | 92 | 58.2 Ų | 58.2 | 35% | 0.347 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 139.1 | -177.4 | -63 | -177.4 | -87.9 | -176.8 | -3 | 108.9 | V479 V480 A538 A539 E640 D660 | V479-R499 WeakPolarHBondContact CA-O 3.4Å; V480-R499 HydrophobicContact CG2-CB 4.09Å; V480-R499 PolarHBondContact N-O 2.94Å; V480-R499 PolarHBondContact O-N 2.9Å; R499-A538 WeakPolarHBondContact CA-O 3.29Å; R499-A539 HydrophobicContact CG-CB 4.05Å; R499-E640 IonicContact CZ-OE2 3.97Å; R499-E640 IonicContact NE-OE2 2.71Å; R499-E640 IonicContact NH2-OE2 2.65Å; R499-E640 PolarHBondContact NH2-OE2 2.79Å; R499-D660 IonicContact NH2-OD1 3.13Å; R499-D660 PolarHBondContact NH2-OD1 3.04Å; R499-D660 VanDerWaalsContact NH2-OD1 3.12Å |
| 500 | V | 89.4 | Confident | 79 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 121.8 | 169.3 | -175.5 | 0 | 0 | 0 | 0 | 107.9 | I477 H478 V479 F498 L512 L536 N537 A538 F540 I554 | I477-V500 HydrophobicContact CG2-CG1 3.6Å; H478-V500 WeakPolarHBondContact O-CA 3.36Å; V479-V500 HydrophobicContact CG1-CG2 4.31Å; V479-V500 HydrophobicContact CG2-CG1 4.35Å; V479-V500 HydrophobicContact CG2-CG2 4.32Å; F498-V500 HydrophobicContact CD2-CG2 4.42Å; F498-V500 HydrophobicContact CE2-CG2 4.28Å; V500-L512 HydrophobicContact CB-CD2 3.78Å; V500-L512 HydrophobicContact CG1-CD1 3.87Å; V500-L512 HydrophobicContact CG1-CD2 3.81Å; V500-L512 HydrophobicContact CG2-CD2 4.22Å; V500-L536 HydrophobicContact CG1-CD2 4.03Å; V500-N537 WeakPolarHBondContact O-CA 3.23Å; V500-A538 PolarHBondContact N-O 2.91Å; V500-A538 PolarHBondContact O-N 3.4Å; V500-F540 HydrophobicContact CB-CE2 4.39Å; V500-F540 HydrophobicContact CG2-CD2 4.23Å; V500-F540 HydrophobicContact CG2-CE2 3.9Å; V500-I554 HydrophobicContact CG2-CD1 4.28Å |
| 501 | T | 84.8 | Confident | 78.4 | Confident | 38 Ų | 38 | 66.9 Ų | 66.9 | 23% | 0.233 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 156.2 | -174.3 | 55.9 | 0 | 0 | 0 | 0 | 112.1 | I477 H478 L536 N537 | I477-T501 CarbonylContact C-O 3.42Å; I477-T501 WeakPolarHBondContact CA-O 3.29Å; H478-T501 PolarHBondContact N-O 2.85Å; H478-T501 PolarHBondContact O-N 2.82Å; H478-T501 PolarHBondContact O-OG1 2.97Å; T501-L536 CarbonylContact C-O 3.48Å; T501-L536 WeakPolarHBondContact CA-O 3.23Å; T501-N537 HydrophobicContact CG2-CB 4.44Å |
| 502 | C | 80.4 | Confident | 78.3 | Confident | 7 Ų | 7 | 64.9 Ų | 64.9 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 134 | 170.1 | -167.8 | 0 | 0 | 0 | 0 | 108.4 | R476 I477 D504 A507 L536 | R476-C502 PolarHBondContact O-SG 3.15Å; I477-C502 HydrophobicContact CG1-CB 4.16Å; C502-D504 VanDerWaalsContact C-N 3.32Å; C502-A507 HydrophobicContact CB-CB 3.69Å; C502-L536 HydrophobicContact CB-CB 3.61Å; C502-L536 HydrophobicContact CB-CD2 4.12Å; C502-L536 HydrophobicContact CB-CG 4.46Å; C502-L536 PolarHBondContact N-O 3.4Å; C502-L536 PolarHBondContact O-N 2.81Å; C502-L536 VanDerWaalsContact O-N 3.08Å |
| 503 | D | 68.6 | Low | 78.6 | Confident | 111 Ų | 111 | 66 Ų | 66 | 59% | 0.594 | 34% | 0.34 | S | S | * | . | trans | -77.1 | -18.5 | 179.6 | 67.9 | -29.6 | 0 | 0 | 0 | 113.4 | E505 | D503-E505 PolarHBondContact O-N 3.3Š| ||
| 504 | D | 68.9 | Low | 79 | Confident | 27 Ų | 27 | 65.9 Ų | 65.9 | 14% | 0.144 | 34% | 0.34 | C | S | . | . | trans | -70.6 | 120.3 | -179.9 | -158.1 | -49.8 | 0 | 0 | 0 | 111.8 | R476 C502 N506 A507 | R476-D504 IonicContact CZ-OD2 3.6Å; R476-D504 IonicContact NH1-OD2 2.63Å; R476-D504 PolarHBondContact NH1-OD2 2.79Å; C502-D504 VanDerWaalsContact C-N 3.32Å; D504-N506 PolarHBondContact O-N 3.11Å; D504-N506 VanDerWaalsContact OD1-CB 3.31Å; D504-N506 WeakPolarHBondContact OD1-CB 3.49Å; D504-N506 PolarHBondContact OD1-N 3.13Å; D504-N506 PolarHBondContact OD1-ND2 2.83Å; D504-A507 HydrophobicContact CB-CB 4.44Å; D504-A507 WeakPolarHBondContact O-CB 3.39Å; D504-A507 PolarHBondContact O-N 3.26Å | ||
| 505 | E | 64.2 | Low | 79.4 | Confident | 156 Ų | 156 | 60.2 Ų | 60.2 | 73% | 0.729 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -20.3 | 178.7 | -50.4 | -162.9 | 144.7 | 0 | 0 | 113 | D503 A507 V534 | D503-E505 PolarHBondContact O-N 3.3Å; E505-A507 VanDerWaalsContact C-N 3.32Å; E505-V534 HydrophobicContact CB-CG1 4.24Å; E505-V534 HydrophobicContact CG-CG1 3.62Å; E505-V534 WeakPolarHBondContact OE1-CG1 3.43Å |
| 506 | N | 67.3 | Low | 79.9 | Confident | 123 Ų | 123 | 54.9 Ų | 54.9 | 66% | 0.658 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 1.2 | 178.1 | -52.2 | -88.2 | 0 | 0 | 0 | 113.3 | D504 E508 | D504-N506 PolarHBondContact O-N 3.11Å; D504-N506 VanDerWaalsContact OD1-CB 3.31Å; D504-N506 WeakPolarHBondContact OD1-CB 3.49Å; D504-N506 PolarHBondContact OD1-N 3.13Å; D504-N506 PolarHBondContact OD1-ND2 2.83Å; N506-E508 PolarHBondContact O-N 3.1Å |
| 507 | A | 66.5 | Low | 79.9 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 3% | 0.033 | 32% | 0.315 | C | S | . | . | trans | -78 | 81.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | C502 D504 E505 A509 L536 | C502-A507 HydrophobicContact CB-CB 3.69Å; D504-A507 HydrophobicContact CB-CB 4.44Å; D504-A507 WeakPolarHBondContact O-CB 3.39Å; D504-A507 PolarHBondContact O-N 3.26Å; E505-A507 VanDerWaalsContact C-N 3.32Å; A507-A509 PolarHBondContact O-N 3.28Å; A507-L536 HydrophobicContact CB-CB 3.86Å | ||
| 508 | E | 69.2 | Low | 79.7 | Confident | 94 Ų | 94 | 59.2 Ų | 59.2 | 44% | 0.439 | 30% | 0.302 | S | S | . | . | trans | -63.2 | 114.7 | -178.9 | -71.9 | 172.7 | -134.4 | 0 | 0 | 113.1 | N506 A510 R511 | N506-E508 PolarHBondContact O-N 3.1Å; E508-A510 PolarHBondContact O-N 2.9Å; E508-R511 HydrophobicContact CB-CG 4.4Å; E508-R511 WeakPolarHBondContact O-CB 3.47Å; E508-R511 PolarHBondContact O-N 2.68Å; E508-R511 IonicContact OE1-CZ 3.66Å; E508-R511 IonicContact OE1-NH1 3.91Å; E508-R511 PolarHBondContact OE1-NH1 3.48Å; E508-R511 IonicContact OE1-NH2 2.71Å; E508-R511 PolarHBondContact OE1-NH2 3.15Å; E508-R511 IonicContact OE2-CZ 3.61Å; E508-R511 IonicContact OE2-NE 2.61Å; E508-R511 IonicContact OE2-NH1 3.08Å; E508-R511 IonicContact OE2-NH2 3.78Å; E508-R511 PolarHBondContact OE2-NH2 2.9Å | ||
| 509 | A | 69 | Low | 79.2 | Confident | 35 Ų | 35 | 61.5 Ų | 61.5 | 29% | 0.289 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -12.6 | 178 | 0 | 0 | 0 | 0 | 0 | 115.2 | A507 R528 L536 | A507-A509 PolarHBondContact O-N 3.28Å; A509-R528 PolarHBondContact O-NH1 2.98Å; A509-R528 PolarHBondContact O-NH2 3.37Å; A509-L536 HydrophobicContact CB-CD1 3.62Å |
| 510 | A | 68.7 | Low | 78.8 | Confident | 97 Ų | 97 | 61.1 Ų | 61.1 | 80% | 0.802 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -21.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E508 | E508-A510 PolarHBondContact O-N 2.9Š|
| 511 | R | 76.2 | Confident | 78.2 | Confident | 94 Ų | 94 | 63.3 Ų | 63.3 | 36% | 0.355 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -85.1 | -14.2 | 177.7 | -71.2 | 169.9 | 174.7 | 129.4 | 25.9 | 113.6 | E508 Y556 N557 | E508-R511 HydrophobicContact CB-CG 4.4Å; E508-R511 WeakPolarHBondContact O-CB 3.47Å; E508-R511 PolarHBondContact O-N 2.68Å; E508-R511 IonicContact OE1-CZ 3.66Å; E508-R511 IonicContact OE1-NH1 3.91Å; E508-R511 PolarHBondContact OE1-NH1 3.48Å; E508-R511 IonicContact OE1-NH2 2.71Å; E508-R511 PolarHBondContact OE1-NH2 3.15Å; E508-R511 IonicContact OE2-CZ 3.61Å; E508-R511 IonicContact OE2-NE 2.61Å; E508-R511 IonicContact OE2-NH1 3.08Å; E508-R511 IonicContact OE2-NH2 3.78Å; E508-R511 PolarHBondContact OE2-NH2 2.9Å; R511-Y556 HydrophobicContact CB-CD2 3.78Å; R511-Y556 HydrophobicContact CB-CE2 3.53Å; R511-Y556 HydrophobicContact CB-CG 4.48Å; R511-N557 WeakPolarHBondContact CD-OD1 3.36Å; R511-N557 PolarHBondContact NE-OD1 2.9Å |
| 512 | L | 83.2 | Confident | 78.1 | Confident | 7 Ų | 7 | 66.7 Ų | 66.7 | 4% | 0.037 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 117.5 | 177.6 | 176.6 | 65.1 | 0 | 0 | 0 | 111 | V500 V514 R528 L536 A538 F540 I554 | V500-L512 HydrophobicContact CB-CD2 3.78Å; V500-L512 HydrophobicContact CG1-CD1 3.87Å; V500-L512 HydrophobicContact CG1-CD2 3.81Å; V500-L512 HydrophobicContact CG2-CD2 4.22Å; L512-V514 HydrophobicContact CD1-CG2 4.39Å; L512-V514 HydrophobicContact CG-CG2 4.49Å; L512-R528 PolarHBondContact O-NH1 3.4Å; L512-L536 HydrophobicContact CB-CD1 4.45Å; L512-L536 HydrophobicContact CD2-CD1 4.15Å; L512-L536 HydrophobicContact CD2-CD2 4.34Å; L512-A538 HydrophobicContact CD2-CB 3.81Å; L512-F540 HydrophobicContact CD2-CE2 4.03Å; L512-F540 HydrophobicContact CD2-CZ 4.03Å; L512-I554 HydrophobicContact CD1-CG2 3.67Å |
| 513 | L | 85 | Confident | 78 | Confident | 77 Ų | 77 | 71.2 Ų | 71.2 | 40% | 0.403 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 117.4 | 177.3 | 175.2 | 57.5 | 0 | 0 | 0 | 110.6 | K515 F555 | L513-K515 HydrophobicContact CD1-CG 4.45Å; L513-K515 VanDerWaalsContact CD2-CE 3.44Å; L513-K515 HydrophobicContact CG-CG 4.36Å; L513-F555 HydrophobicContact CB-CB 4.36Å; L513-F555 PolarHBondContact N-O 2.87Å; L513-F555 PolarHBondContact O-N 2.82Å |
| 514 | V | 91.8 | Very high | 78.8 | Confident | 25 Ų | 25 | 66.8 Ų | 66.8 | 15% | 0.152 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 128.8 | 175.6 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | F498 L512 L526 F540 H553 I554 | F498-V514 HydrophobicContact CZ-CG1 4.14Å; L512-V514 HydrophobicContact CD1-CG2 4.39Å; L512-V514 HydrophobicContact CG-CG2 4.49Å; V514-L526 HydrophobicContact CB-CD1 4.28Å; V514-L526 HydrophobicContact CG1-CD1 3.51Å; V514-F540 HydrophobicContact CB-CE1 4.02Å; V514-F540 HydrophobicContact CB-CZ 4.3Å; V514-F540 HydrophobicContact CG2-CD1 4.4Å; V514-F540 HydrophobicContact CG2-CE1 3.77Å; V514-F540 HydrophobicContact CG2-CE2 3.98Å; V514-F540 HydrophobicContact CG2-CZ 3.54Å; V514-H553 CarbonylContact C-O 3.51Å; V514-H553 WeakPolarHBondContact CA-O 3.32Å; V514-I554 HydrophobicContact CG1-CG1 4.24Å; V514-I554 HydrophobicContact CG2-CG1 4.21Å; V514-I554 HydrophobicContact CG2-CG2 4.24Å |
| 515 | K | 89.8 | Confident | 79.5 | Confident | 95 Ų | 95 | 71.4 Ų | 71.4 | 41% | 0.413 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 102.7 | 175.7 | -59.4 | 174.9 | -168.3 | 138 | 0 | 109 | L513 H553 F555 | L513-K515 HydrophobicContact CD1-CG 4.45Å; L513-K515 VanDerWaalsContact CD2-CE 3.44Å; L513-K515 HydrophobicContact CG-CG 4.36Å; K515-H553 HydrophobicContact CB-CB 4.38Å; K515-H553 PolarHBondContact N-O 2.85Å; K515-H553 PolarHBondContact O-N 3.29Å; K515-F555 HydrophobicContact CD-CD2 4.38Å; K515-F555 HydrophobicContact CD-CE2 3.77Å; K515-F555 HydrophobicContact CG-CE2 4.26Å |
| 516 | A | 91 | Very high | 80.8 | Confident | 7 Ų | 7 | 65.7 Ų | 65.7 | 6% | 0.058 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 138.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S523 L524 L526 K551 F552 | A516-S523 WeakPolarHBondContact O-CA 3.41Å; A516-L524 HydrophobicContact CB-CB 3.82Å; A516-L524 HydrophobicContact CB-CD2 4.22Å; A516-L524 HydrophobicContact CB-CG 4.45Å; A516-L524 PolarHBondContact O-N 2.72Å; A516-L526 HydrophobicContact CB-CD1 3.99Å; A516-L526 HydrophobicContact CB-CD2 3.86Å; A516-L526 HydrophobicContact CB-CG 4Å; A516-K551 CarbonylContact C-O 3.55Å; A516-K551 WeakPolarHBondContact CA-O 3.16Å; A516-F552 HydrophobicContact CB-CD1 3.54Å; A516-F552 HydrophobicContact CB-CE1 3.63Å; A516-F552 HydrophobicContact CB-CG 4.19Å; A516-F552 HydrophobicContact CB-CZ 4.33Å |
| 517 | R | 88.5 | Confident | 81.7 | Confident | 126 Ų | 126 | 66.7 Ų | 66.7 | 48% | 0.475 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 136.7 | 175.6 | -71.5 | 175.2 | 170.7 | 139.1 | -8.1 | 110.6 | L522 H550 K551 H553 | R517-L522 WeakPolarHBondContact CA-O 3.45Å; R517-H550 CarbonylContact O-C 3.55Å; R517-H550 VanDerWaalsContact O-CA 3.26Å; R517-H550 WeakPolarHBondContact O-CA 3.11Å; R517-K551 PolarHBondContact N-O 3.02Å; R517-K551 PolarHBondContact O-N 2.84Å; R517-H553 PolarHBondContact NH1-NE2 3.4Å |
| 518 | Q | 88.1 | Confident | 82.8 | Confident | 27 Ų | 27 | 71.1 Ų | 71.1 | 13% | 0.126 | 39% | 0.387 | C | S | . | . | trans | -78 | 167.8 | 168.1 | -63 | -176 | 121.7 | 0 | 0 | 110.7 | D520 G521 L522 L524 I546 | Q518-D520 VanDerWaalsContact CB-OD1 3.23Å; Q518-D520 WeakPolarHBondContact CB-OD1 3.49Å; Q518-D520 PolarHBondContact O-N 3.42Å; Q518-G521 WeakPolarHBondContact O-CA 3.44Å; Q518-G521 PolarHBondContact O-N 3.39Å; Q518-L522 PolarHBondContact N-O 2.91Å; Q518-L524 HydrophobicContact CG-CB 3.87Å; Q518-L524 HydrophobicContact CG-CD1 4.05Å; Q518-I546 HydrophobicContact CB-CD1 4.43Å | ||
| 519 | P | 83.5 | Confident | 83.4 | Confident | 50 Ų | 50 | 70.1 Ų | 70.1 | 33% | 0.325 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -22.3 | -177.1 | -21.6 | 33.7 | 0 | 0 | 0 | 114 | G521 I546 H550 | P519-G521 PolarHBondContact O-N 3.3Å; P519-I546 HydrophobicContact CG-CG2 4.11Å; P519-H550 WeakPolarHBondContact CD-CE1 3.11Å |
| 520 | D | 80.5 | Confident | 83.7 | Confident | 83 Ų | 83 | 72.5 Ų | 72.5 | 44% | 0.444 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -1.3 | 172.5 | 62.1 | 6.6 | 0 | 0 | 0 | 113.5 | Q518 L522 I546 | Q518-D520 VanDerWaalsContact CB-OD1 3.23Å; Q518-D520 WeakPolarHBondContact CB-OD1 3.49Å; Q518-D520 PolarHBondContact O-N 3.42Å; D520-L522 VanDerWaalsContact C-N 3.29Å; D520-L522 PolarHBondContact O-N 3.08Å; D520-L522 VanDerWaalsContact OD1-CB 3.28Å; D520-L522 WeakPolarHBondContact OD1-CB 3.46Å; D520-L522 PolarHBondContact OD1-N 2.93Å; D520-L522 WeakPolarHBondContact OD2-CD1 3.4Å; D520-I546 VanDerWaalsContact OD2-CD1 3.23Å; D520-I546 WeakPolarHBondContact OD2-CD1 3.45Å |
| 521 | G | 78.2 | Confident | 83.6 | Confident | 47 Ų | 47 | 70.7 Ų | 70.7 | 49% | 0.485 | 38% | 0.379 | S | S | . | . | S | Bend | trans | 82.2 | -5.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | Q518 P519 | Q518-G521 WeakPolarHBondContact O-CA 3.44Å; Q518-G521 PolarHBondContact O-N 3.39Å; P519-G521 PolarHBondContact O-N 3.3Å |
| 522 | L | 81.3 | Confident | 82.6 | Confident | 109 Ų | 109 | 70.5 Ų | 70.5 | 57% | 0.571 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 147.9 | 175.6 | -61.8 | -177.6 | 0 | 0 | 0 | 110.9 | R517 Q518 D520 L524 | R517-L522 WeakPolarHBondContact CA-O 3.45Å; Q518-L522 PolarHBondContact N-O 2.91Å; D520-L522 VanDerWaalsContact C-N 3.29Å; D520-L522 PolarHBondContact O-N 3.08Å; D520-L522 VanDerWaalsContact OD1-CB 3.28Å; D520-L522 WeakPolarHBondContact OD1-CB 3.46Å; D520-L522 PolarHBondContact OD1-N 2.93Å; D520-L522 WeakPolarHBondContact OD2-CD1 3.4Å; L522-L524 PolarHBondContact O-N 3.48Å |
| 523 | S | 79.1 | Confident | 81.3 | Confident | 101 Ų | 101 | 73.4 Ų | 73.4 | 71% | 0.706 | 44% | 0.438 | S | S | * | . | B | Isolated β-bridge | trans | -67.8 | 126.7 | 176.6 | -58.2 | 0 | 0 | 0 | 0 | 111 | A516 | A516-S523 WeakPolarHBondContact O-CA 3.41Å |
| 524 | L | 84.9 | Confident | 80.1 | Confident | 18 Ų | 18 | 75.1 Ų | 75.1 | 9% | 0.094 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -80.1 | 123 | 171.7 | 179.2 | 67.2 | 0 | 0 | 0 | 109.4 | A516 Q518 L522 L526 Y542 F552 | A516-L524 HydrophobicContact CB-CB 3.82Å; A516-L524 HydrophobicContact CB-CD2 4.22Å; A516-L524 HydrophobicContact CB-CG 4.45Å; A516-L524 PolarHBondContact O-N 2.72Å; Q518-L524 HydrophobicContact CG-CB 3.87Å; Q518-L524 HydrophobicContact CG-CD1 4.05Å; L522-L524 PolarHBondContact O-N 3.48Å; L524-L526 HydrophobicContact CD2-CD2 3.91Å; L524-L526 HydrophobicContact CG-CD2 4.09Å; L524-L526 PolarHBondContact O-N 2.94Å; L524-Y542 HydrophobicContact CD2-CD2 3.76Å; L524-Y542 HydrophobicContact CD2-CE2 4.26Å; L524-Y542 HydrophobicContact CD2-CG 3.9Å; L524-F552 HydrophobicContact CD2-CE1 4.17Å; L524-F552 HydrophobicContact CD2-CZ 3.87Å |
| 525 | T | 84.1 | Confident | 78.8 | Confident | 124 Ų | 124 | 75 Ų | 75 | 76% | 0.761 | 46% | 0.455 | S | S | * | . | trans | -71.3 | 110.9 | 175.5 | -54.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 526 | L | 90.1 | Very high | 78.1 | Confident | 37 Ų | 37 | 70.7 Ų | 70.7 | 19% | 0.194 | 44% | 0.437 | C | S | . | . | trans | -91.6 | 138.2 | 170.7 | -50.7 | -174.8 | 0 | 0 | 0 | 110.5 | F498 V514 A516 L524 F540 Y542 F552 | F498-L526 HydrophobicContact CE1-CD1 4.29Å; F498-L526 HydrophobicContact CZ-CD1 3.94Å; V514-L526 HydrophobicContact CB-CD1 4.28Å; V514-L526 HydrophobicContact CG1-CD1 3.51Å; A516-L526 HydrophobicContact CB-CD1 3.99Å; A516-L526 HydrophobicContact CB-CD2 3.86Å; A516-L526 HydrophobicContact CB-CG 4Å; L524-L526 HydrophobicContact CD2-CD2 3.91Å; L524-L526 HydrophobicContact CG-CD2 4.09Å; L524-L526 PolarHBondContact O-N 2.94Å; L526-F540 HydrophobicContact CB-CD1 4.26Å; L526-F540 HydrophobicContact CD1-CB 4.46Å; L526-F540 HydrophobicContact CD1-CD1 4Å; L526-Y542 HydrophobicContact CD2-CD1 4.09Å; L526-Y542 HydrophobicContact CD2-CG 4.26Å; L526-F552 HydrophobicContact CD1-CD1 4.4Å; L526-F552 HydrophobicContact CD1-CE1 4.44Å; L526-F552 HydrophobicContact CD2-CE1 3.85Å | ||
| 527 | K | 87.7 | Confident | 77.7 | Confident | 143 Ų | 143 | 73.2 Ų | 73.2 | 62% | 0.622 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 112.5 | 163.4 | -66.4 | 174.3 | -176.2 | 168.9 | 0 | 108 | F540 C541 | K527-F540 CarbonylContact O-C 3.43Å; K527-F540 WeakPolarHBondContact O-CA 3.09Å; K527-C541 PolarHBondContact N-O 2.84Å; K527-C541 PolarHBondContact O-N 2.8Å |
| 528 | R | 88.9 | Confident | 77.6 | Confident | 98 Ų | 98 | 67.2 Ų | 67.2 | 37% | 0.37 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 138.6 | 171.4 | -179.9 | 174.9 | 168.4 | 166.1 | -8 | 109.8 | A509 L512 D530 A539 F540 | A509-R528 PolarHBondContact O-NH1 2.98Å; A509-R528 PolarHBondContact O-NH2 3.37Å; L512-R528 PolarHBondContact O-NH1 3.4Å; R528-D530 VanDerWaalsContact CG-OD1 3.32Å; R528-D530 WeakPolarHBondContact CG-OD1 3.31Å; R528-D530 IonicContact CZ-OD1 2.8Å; R528-D530 IonicContact CZ-OD2 3.83Å; R528-D530 IonicContact NE-OD1 2.96Å; R528-D530 PolarHBondContact NE-OD1 3.43Å; R528-D530 IonicContact NE-OD2 2.98Å; R528-D530 PolarHBondContact NE-OD2 2.56Å; R528-D530 IonicContact NH2-OD1 3.21Å; R528-D530 PolarHBondContact NH2-OD1 3.16Å; R528-D530 IonicContact NH2-OD2 2.85Å; R528-D530 PolarHBondContact NH2-OD2 2.7Å; R528-A539 CarbonylContact C-O 3.54Å; R528-A539 WeakPolarHBondContact CA-O 3.44Å; R528-F540 HydrophobicContact CB-CD1 3.95Å; R528-F540 HydrophobicContact CB-CE1 3.77Å; R528-F540 HydrophobicContact CB-CZ 4.49Å; R528-F540 HydrophobicContact CG-CD1 4.24Å; R528-F540 HydrophobicContact CG-CE1 3.72Å; R528-F540 HydrophobicContact CG-CZ 3.94Å |
| 529 | S | 82.7 | Confident | 77.7 | Confident | 73 Ų | 73 | 67.1 Ų | 67.1 | 51% | 0.51 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 115 | 170.6 | 56.8 | 0 | 0 | 0 | 0 | 109.6 | A539 | S529-A539 PolarHBondContact N-O 2.9Å; S529-A539 WeakPolarHBondContact O-CB 3.26Å; S529-A539 PolarHBondContact O-N 2.89Å |
| 530 | D | 74.9 | Confident | 78.2 | Confident | 84 Ų | 84 | 65.2 Ų | 65.2 | 45% | 0.449 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 123.6 | -178.2 | -63.5 | -5 | 0 | 0 | 0 | 109.8 | R528 A538 | R528-D530 VanDerWaalsContact CG-OD1 3.32Å; R528-D530 WeakPolarHBondContact CG-OD1 3.31Å; R528-D530 IonicContact CZ-OD1 2.8Å; R528-D530 IonicContact CZ-OD2 3.83Å; R528-D530 IonicContact NE-OD1 2.96Å; R528-D530 PolarHBondContact NE-OD1 3.43Å; R528-D530 IonicContact NE-OD2 2.98Å; R528-D530 PolarHBondContact NE-OD2 2.56Å; R528-D530 IonicContact NH2-OD1 3.21Å; R528-D530 PolarHBondContact NH2-OD1 3.16Å; R528-D530 IonicContact NH2-OD2 2.85Å; R528-D530 PolarHBondContact NH2-OD2 2.7Å; D530-A538 VanDerWaalsContact OD1-CB 3.27Å; D530-A538 WeakPolarHBondContact OD1-CB 3.42Å |
| 531 | S | 66.3 | Low | 78.7 | Confident | 60 Ų | 60 | 62.9 Ų | 62.9 | 42% | 0.42 | 41% | 0.407 | S | S | . | . | trans | -89.6 | 112.2 | 176.5 | 53.7 | 0 | 0 | 0 | 0 | 109.3 | G533 N537 | S531-G533 PolarHBondContact O-N 2.91Å; S531-N537 PolarHBondContact N-O 3.17Å; S531-N537 VanDerWaalsContact N-O 3.13Å; S531-N537 PolarHBondContact OG-ND2 3.27Å; S531-N537 PolarHBondContact OG-O 3.25Å; S531-N537 PolarHBondContact OG-OD1 3.17Å | ||
| 532 | G | 55 | Low | 79.4 | Confident | 90 Ų | 90 | 61 Ų | 61 | 93% | 0.928 | 39% | 0.385 | S | S | * | . | trans | -56.8 | 126.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 533 | G | 56.4 | Low | 79.6 | Confident | 67 Ų | 67 | 59.7 Ų | 59.7 | 69% | 0.691 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -172.2 | -174.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | S531 | S531-G533 PolarHBondContact O-N 2.91Š|
| 534 | V | 58.9 | Low | 79.8 | Confident | 113 Ų | 113 | 55.2 Ų | 55.2 | 69% | 0.685 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -83.5 | 139.6 | 170.7 | 178.3 | 0 | 0 | 0 | 0 | 108.9 | E505 | E505-V534 HydrophobicContact CB-CG1 4.24Å; E505-V534 HydrophobicContact CG-CG1 3.62Å; E505-V534 WeakPolarHBondContact OE1-CG1 3.43Å |
| 535 | G | 64.6 | Low | 79.5 | Confident | 23 Ų | 23 | 63 Ų | 63 | 24% | 0.237 | 37% | 0.373 | C | S | . | . | S | Bend | trans | 77.9 | -163 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 536 | L | 75.3 | Confident | 79.5 | Confident | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 128.8 | 178.9 | -179.6 | 64.9 | 0 | 0 | 0 | 109.7 | I477 V500 T501 C502 A507 A509 L512 | I477-L536 HydrophobicContact CG2-CD2 4.46Å; V500-L536 HydrophobicContact CG1-CD2 4.03Å; T501-L536 CarbonylContact C-O 3.48Å; T501-L536 WeakPolarHBondContact CA-O 3.23Å; C502-L536 HydrophobicContact CB-CB 3.61Å; C502-L536 HydrophobicContact CB-CD2 4.12Å; C502-L536 HydrophobicContact CB-CG 4.46Å; C502-L536 PolarHBondContact N-O 3.4Å; C502-L536 PolarHBondContact O-N 2.81Å; C502-L536 VanDerWaalsContact O-N 3.08Å; A507-L536 HydrophobicContact CB-CB 3.86Å; A509-L536 HydrophobicContact CB-CD1 3.62Å; L512-L536 HydrophobicContact CB-CD1 4.45Å; L512-L536 HydrophobicContact CD2-CD1 4.15Å; L512-L536 HydrophobicContact CD2-CD2 4.34Å |
| 537 | N | 81.9 | Confident | 79.5 | Confident | 61 Ų | 61 | 59.2 Ų | 59.2 | 33% | 0.326 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 91.5 | 168.8 | -165.3 | -9.3 | 0 | 0 | 0 | 111.2 | V500 T501 S531 | V500-N537 WeakPolarHBondContact O-CA 3.23Å; T501-N537 HydrophobicContact CG2-CB 4.44Å; S531-N537 PolarHBondContact N-O 3.17Å; S531-N537 VanDerWaalsContact N-O 3.13Å; S531-N537 PolarHBondContact OG-ND2 3.27Å; S531-N537 PolarHBondContact OG-O 3.25Å; S531-N537 PolarHBondContact OG-OD1 3.17Å |
| 538 | A | 87.2 | Confident | 79.5 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 116.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | R499 V500 L512 D530 F540 | R499-A538 WeakPolarHBondContact CA-O 3.29Å; V500-A538 PolarHBondContact N-O 2.91Å; V500-A538 PolarHBondContact O-N 3.4Å; L512-A538 HydrophobicContact CD2-CB 3.81Å; D530-A538 VanDerWaalsContact OD1-CB 3.27Å; D530-A538 WeakPolarHBondContact OD1-CB 3.42Å; A538-F540 HydrophobicContact CB-CE2 3.73Å; A538-F540 HydrophobicContact CB-CZ 4.18Å; A538-F540 WeakPolarHBondContact O-CD2 3.28Å; A538-F540 WeakPolarHBondContact O-CE2 3.35Å |
| 539 | A | 90 | Very high | 79.6 | Confident | 24 Ų | 24 | 52.1 Ų | 52.1 | 20% | 0.198 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 145.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | R499 R528 S529 | R499-A539 HydrophobicContact CG-CB 4.05Å; R528-A539 CarbonylContact C-O 3.54Å; R528-A539 WeakPolarHBondContact CA-O 3.44Å; S529-A539 PolarHBondContact N-O 2.9Å; S529-A539 WeakPolarHBondContact O-CB 3.26Å; S529-A539 PolarHBondContact O-N 2.89Å |
| 540 | F | 93.5 | Very high | 80 | Confident | 10 Ų | 10 | 48.6 Ų | 48.6 | 4% | 0.044 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 129 | 180 | -63.8 | -95.5 | 0 | 0 | 0 | 109.4 | S497 F498 V500 L512 V514 L526 K527 R528 A538 | S497-F540 CarbonylContact C-O 3.59Å; S497-F540 WeakPolarHBondContact CA-O 3.3Å; S497-F540 WeakPolarHBondContact CB-O 3.47Å; F498-F540 HydrophobicContact CD1-CB 4.07Å; F498-F540 HydrophobicContact CD2-CB 4.19Å; F498-F540 HydrophobicContact CD2-CD2 4.24Å; F498-F540 HydrophobicContact CE1-CB 3.64Å; F498-F540 HydrophobicContact CE2-CB 3.77Å; F498-F540 AromaticContact CE2-CD2 3.75Å; F498-F540 HydrophobicContact CE2-CD2 3.75Å; F498-F540 AromaticContact CE2-CG 3.88Å; F498-F540 HydrophobicContact CE2-CG 3.88Å; F498-F540 HydrophobicContact CG-CB 4.33Å; F498-F540 HydrophobicContact CZ-CB 3.49Å; F498-F540 VanDerWaalsContact CZ-CB 3.49Å; F498-F540 HydrophobicContact CZ-CD2 4.22Å; F498-F540 AromaticContact CZ-CG 3.86Å; F498-F540 HydrophobicContact CZ-CG 3.86Å; F498-F540 PolarHBondContact N-O 2.81Å; F498-F540 PolarHBondContact O-N 3.27Å; V500-F540 HydrophobicContact CB-CE2 4.39Å; V500-F540 HydrophobicContact CG2-CD2 4.23Å; V500-F540 HydrophobicContact CG2-CE2 3.9Å; L512-F540 HydrophobicContact CD2-CE2 4.03Å; L512-F540 HydrophobicContact CD2-CZ 4.03Å; V514-F540 HydrophobicContact CB-CE1 4.02Å; V514-F540 HydrophobicContact CB-CZ 4.3Å; V514-F540 HydrophobicContact CG2-CD1 4.4Å; V514-F540 HydrophobicContact CG2-CE1 3.77Å; V514-F540 HydrophobicContact CG2-CE2 3.98Å; V514-F540 HydrophobicContact CG2-CZ 3.54Å; L526-F540 HydrophobicContact CB-CD1 4.26Å; L526-F540 HydrophobicContact CD1-CB 4.46Å; L526-F540 HydrophobicContact CD1-CD1 4Å; K527-F540 CarbonylContact O-C 3.43Å; K527-F540 WeakPolarHBondContact O-CA 3.09Å; R528-F540 HydrophobicContact CB-CD1 3.95Å; R528-F540 HydrophobicContact CB-CE1 3.77Å; R528-F540 HydrophobicContact CB-CZ 4.49Å; R528-F540 HydrophobicContact CG-CD1 4.24Å; R528-F540 HydrophobicContact CG-CE1 3.72Å; R528-F540 HydrophobicContact CG-CZ 3.94Å; A538-F540 HydrophobicContact CB-CE2 3.73Å; A538-F540 HydrophobicContact CB-CZ 4.18Å; A538-F540 WeakPolarHBondContact O-CD2 3.28Å; A538-F540 WeakPolarHBondContact O-CE2 3.35Å |
| 541 | C | 92.1 | Very high | 80.8 | Confident | 35 Ų | 35 | 48.3 Ų | 48.3 | 24% | 0.236 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 151.2 | 173.6 | 73.6 | 0 | 0 | 0 | 0 | 113.2 | V496 K527 | V496-C541 CarbonylContact O-C 3.3Å; V496-C541 VanDerWaalsContact O-CA 3.29Å; V496-C541 WeakPolarHBondContact O-CA 3.37Å; K527-C541 PolarHBondContact N-O 2.84Å; K527-C541 PolarHBondContact O-N 2.8Å |
| 542 | Y | 92.2 | Very high | 82.2 | Confident | 8 Ų | 8 | 45.4 Ų | 45.4 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 171.4 | 179.7 | 65.8 | -88 | 0 | 0 | 0 | 111 | G483 V496 F498 L524 L526 P544 F552 I570 | G483-Y542 WeakPolarHBondContact O-CE1 3.42Å; G483-Y542 PolarHBondContact O-OH 2.86Å; V496-Y542 HydrophobicContact CB-CD2 4.47Å; V496-Y542 HydrophobicContact CB-CE1 4.46Å; V496-Y542 HydrophobicContact CB-CE2 4.22Å; V496-Y542 HydrophobicContact CG1-CE1 3.85Å; V496-Y542 HydrophobicContact CG1-CE2 3.91Å; V496-Y542 PolarHBondContact N-O 2.85Å; V496-Y542 PolarHBondContact O-N 3.18Å; F498-Y542 HydrophobicContact CD1-CE1 4.26Å; F498-Y542 HydrophobicContact CE1-CD1 4.4Å; F498-Y542 HydrophobicContact CE1-CE1 4.28Å; L524-Y542 HydrophobicContact CD2-CD2 3.76Å; L524-Y542 HydrophobicContact CD2-CE2 4.26Å; L524-Y542 HydrophobicContact CD2-CG 3.9Å; L526-Y542 HydrophobicContact CD2-CD1 4.09Å; L526-Y542 HydrophobicContact CD2-CG 4.26Å; Y542-P544 HydrophobicContact CD2-CG 4.33Å; Y542-P544 HydrophobicContact CE2-CG 4Å; Y542-F552 HydrophobicContact CD1-CE1 4.12Å; Y542-F552 HydrophobicContact CD1-CZ 4.17Å; Y542-F552 AromaticContact CE1-CE1 3.8Å; Y542-F552 HydrophobicContact CE1-CE1 3.8Å; Y542-F552 AromaticContact CE1-CZ 3.55Å; Y542-F552 HydrophobicContact CE1-CZ 3.55Å; Y542-F552 HydrophobicContact CE2-CZ 4.22Å; Y542-F552 AromaticContact CZ-CZ 3.58Å; Y542-I570 HydrophobicContact CE2-CD1 3.96Å |
| 543 | E | 86.7 | Confident | 83.9 | Confident | 81 Ų | 81 | 42.5 Ų | 42.5 | 38% | 0.379 | 24% | 0.238 | S | C | . | . | trans | -121.3 | 121.1 | 172.1 | -66.5 | 175.1 | 153.3 | 0 | 0 | 107.6 | R545 | E543-R545 PolarHBondContact O-N 3.04Å; E543-R545 IonicContact OE2-CZ 3.37Å; E543-R545 IonicContact OE2-NE 3.2Å; E543-R545 IonicContact OE2-NH2 2.72Å; E543-R545 PolarHBondContact OE2-NH2 2.96Å | ||
| 544 | P | 81.5 | Confident | 85.6 | Confident | 7 Ų | 7 | 39.3 Ų | 39.3 | 5% | 0.045 | 21% | 0.205 | C | C | . | . | trans | -61.1 | 118.9 | 173.4 | -24.1 | 35.6 | 0 | 0 | 0 | 111.7 | V489 D493 V496 Y542 I570 | V489-P544 HydrophobicContact CG1-CG 3.67Å; D493-P544 HydrophobicContact CB-CG 4.45Å; D493-P544 VanDerWaalsContact O-CD 3.25Å; D493-P544 WeakPolarHBondContact O-CD 3.42Å; V496-P544 HydrophobicContact CB-CG 4.46Å; V496-P544 HydrophobicContact CG2-CG 3.86Å; Y542-P544 HydrophobicContact CD2-CG 4.33Å; Y542-P544 HydrophobicContact CE2-CG 4Å; P544-I570 HydrophobicContact CB-CD1 3.85Å; P544-I570 HydrophobicContact CB-CG2 3.77Å; P544-I570 HydrophobicContact CG-CD1 4.04Å; P544-I570 HydrophobicContact CG-CG2 4.5Å | ||
| 545 | R | 80.4 | Confident | 86.8 | Confident | 181 Ų | 181 | 35.3 Ų | 35.3 | 68% | 0.683 | 18% | 0.178 | S | C | * | . | trans | -117 | -15.9 | 180 | -68.8 | 178.2 | -176.5 | -143.8 | -5.3 | 114.1 | E543 | E543-R545 PolarHBondContact O-N 3.04Å; E543-R545 IonicContact OE2-CZ 3.37Å; E543-R545 IonicContact OE2-NE 3.2Å; E543-R545 IonicContact OE2-NH2 2.72Å; E543-R545 PolarHBondContact OE2-NH2 2.96Å | ||
| 546 | I | 83.2 | Confident | 87.6 | Confident | 54 Ų | 54 | 34.6 Ų | 34.6 | 28% | 0.277 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -129.6 | 152.9 | 177.8 | -58 | -177.6 | 0 | 0 | 0 | 107.2 | Q518 P519 D520 H550 | Q518-I546 HydrophobicContact CB-CD1 4.43Å; P519-I546 HydrophobicContact CG-CG2 4.11Å; D520-I546 VanDerWaalsContact OD2-CD1 3.23Å; D520-I546 WeakPolarHBondContact OD2-CD1 3.45Å; I546-H550 PolarHBondContact O-CE1 3.29Å; I546-H550 VanDerWaalsContact O-CE1 3.25Å |
| 547 | V | 89.7 | Confident | 87.5 | Confident | 28 Ų | 28 | 38.5 Ų | 38.5 | 17% | 0.17 | 19% | 0.19 | C | C | . | . | trans | -103.9 | 139.2 | 179 | -93 | 0 | 0 | 0 | 0 | 110.4 | L491 G571 K1695 | L491-V547 HydrophobicContact CB-CG1 3.88Å; L491-V547 HydrophobicContact CD1-CG1 4.35Å; L491-V547 HydrophobicContact CD2-CG1 4.22Å; L491-V547 HydrophobicContact CG-CG1 4.38Å; V547-G571 VanDerWaalsContact CG1-C 3.46Å; V547-G571 VanDerWaalsContact CG1-O 3.31Å; V547-G571 WeakPolarHBondContact CG1-O 3.36Å; V547-K1695 HydrophobicContact CB-CB 4.21Å; V547-K1695 WeakPolarHBondContact CB-O 3.21Å; V547-K1695 WeakPolarHBondContact CG2-O 3.47Å | ||
| 548 | G | 87.9 | Confident | 86.9 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 7% | 0.072 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 123.7 | -177.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | H550 I570 | G548-H550 PolarHBondContact O-N 3.19Å; G548-H550 PolarHBondContact O-ND1 2.94Å; G548-I570 PolarHBondContact N-O 3.47Å; G548-I570 PolarHBondContact O-N 3.07Å; G548-I570 VanDerWaalsContact O-N 3.15Å |
| 549 | I | 91.1 | Very high | 86.2 | Confident | 84 Ų | 84 | 48.3 Ų | 48.3 | 43% | 0.431 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 115.7 | -175.4 | -57.9 | 174.1 | 0 | 0 | 0 | 110.9 | K551 E567 V568 A569 | I549-K551 HydrophobicContact CG2-CG 4.22Å; I549-E567 HydrophobicContact CG2-CB 3.87Å; I549-E567 HydrophobicContact CG2-CG 4.42Å; I549-V568 WeakPolarHBondContact CA-O 3.41Å; I549-A569 HydrophobicContact CG1-CB 4.48Å |
| 550 | H | 91.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 137.6 | 169.7 | -67.6 | 60.7 | 0 | 0 | 0 | 109.3 | R517 P519 I546 G548 F552 E567 V568 I570 | R517-H550 CarbonylContact O-C 3.55Å; R517-H550 VanDerWaalsContact O-CA 3.26Å; R517-H550 WeakPolarHBondContact O-CA 3.11Å; P519-H550 WeakPolarHBondContact CD-CE1 3.11Å; I546-H550 PolarHBondContact O-CE1 3.29Å; I546-H550 VanDerWaalsContact O-CE1 3.25Å; G548-H550 PolarHBondContact O-N 3.19Å; G548-H550 PolarHBondContact O-ND1 2.94Å; H550-F552 HydrophobicContact CB-CD2 4.45Å; H550-F552 HydrophobicContact CB-CE2 3.71Å; H550-F552 HydrophobicContact CB-CZ 4.43Å; H550-E567 WeakPolarHBondContact O-CA 3.24Å; H550-V568 HydrophobicContact CB-CB 4.49Å; H550-V568 PolarHBondContact N-O 2.73Å; H550-V568 PolarHBondContact O-N 3.15Å; H550-I570 HydrophobicContact CB-CD1 4.48Å; H550-I570 WeakPolarHBondContact ND1-CD1 3.48Å |
| 551 | K | 92.5 | Very high | 85.2 | Confident | 77 Ų | 77 | 50 Ų | 50 | 34% | 0.335 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 119.4 | -177.6 | -53.8 | -157 | -171.8 | -140.9 | 0 | 111 | A516 R517 I549 F566 E567 | A516-K551 CarbonylContact C-O 3.55Å; A516-K551 WeakPolarHBondContact CA-O 3.16Å; R517-K551 PolarHBondContact N-O 3.02Å; R517-K551 PolarHBondContact O-N 2.84Å; I549-K551 HydrophobicContact CG2-CG 4.22Å; K551-F566 WeakPolarHBondContact CA-O 3.37Å; K551-E567 HydrophobicContact CD-CG 4.17Å; K551-E567 WeakPolarHBondContact CD-OE1 3.48Å; K551-E567 WeakPolarHBondContact CE-OE1 3.25Å; K551-E567 WeakPolarHBondContact CE-OE2 3.15Å; K551-E567 HydrophobicContact CG-CG 4.2Å; K551-E567 IonicContact NZ-OE1 3.51Å; K551-E567 PolarHBondContact NZ-OE1 2.93Å; K551-E567 IonicContact NZ-OE2 3.9Å; K551-E567 PolarHBondContact NZ-OE2 2.81Å |
| 552 | F | 94.7 | Very high | 84.3 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 99.2 | -179.2 | -64.4 | -105.6 | 0 | 0 | 0 | 108.9 | F498 A516 L524 L526 Y542 H550 P565 F566 V568 | F498-F552 AromaticContact CE1-CD1 3.84Å; F498-F552 HydrophobicContact CE1-CD1 3.84Å; F498-F552 AromaticContact CE1-CE1 3.77Å; F498-F552 HydrophobicContact CE1-CE1 3.77Å; F498-F552 AromaticContact CZ-CD1 3.91Å; F498-F552 HydrophobicContact CZ-CD1 3.91Å; F498-F552 HydrophobicContact CZ-CE1 4.29Å; A516-F552 HydrophobicContact CB-CD1 3.54Å; A516-F552 HydrophobicContact CB-CE1 3.63Å; A516-F552 HydrophobicContact CB-CG 4.19Å; A516-F552 HydrophobicContact CB-CZ 4.33Å; L524-F552 HydrophobicContact CD2-CE1 4.17Å; L524-F552 HydrophobicContact CD2-CZ 3.87Å; L526-F552 HydrophobicContact CD1-CD1 4.4Å; L526-F552 HydrophobicContact CD1-CE1 4.44Å; L526-F552 HydrophobicContact CD2-CE1 3.85Å; Y542-F552 HydrophobicContact CD1-CE1 4.12Å; Y542-F552 HydrophobicContact CD1-CZ 4.17Å; Y542-F552 AromaticContact CE1-CE1 3.8Å; Y542-F552 HydrophobicContact CE1-CE1 3.8Å; Y542-F552 AromaticContact CE1-CZ 3.55Å; Y542-F552 HydrophobicContact CE1-CZ 3.55Å; Y542-F552 HydrophobicContact CE2-CZ 4.22Å; Y542-F552 AromaticContact CZ-CZ 3.58Å; H550-F552 HydrophobicContact CB-CD2 4.45Å; H550-F552 HydrophobicContact CB-CE2 3.71Å; H550-F552 HydrophobicContact CB-CZ 4.43Å; F552-P565 WeakPolarHBondContact O-CA 3.4Å; F552-F566 HydrophobicContact CB-CB 4.29Å; F552-F566 PolarHBondContact N-O 3.11Å; F552-F566 PolarHBondContact O-N 2.81Å; F552-V568 HydrophobicContact CD2-CB 4.46Å; F552-V568 HydrophobicContact CD2-CG2 3.79Å; F552-V568 HydrophobicContact CE2-CB 4.02Å; F552-V568 HydrophobicContact CE2-CG2 3.67Å |
| 553 | H | 91.9 | Very high | 83.7 | Confident | 28 Ų | 28 | 58.3 Ų | 58.3 | 13% | 0.13 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 122 | 173.6 | -63.7 | -91.4 | 0 | 0 | 0 | 109.7 | V514 K515 R517 F555 E560 S564 | V514-H553 CarbonylContact C-O 3.51Å; V514-H553 WeakPolarHBondContact CA-O 3.32Å; K515-H553 HydrophobicContact CB-CB 4.38Å; K515-H553 PolarHBondContact N-O 2.85Å; K515-H553 PolarHBondContact O-N 3.29Å; R517-H553 PolarHBondContact NH1-NE2 3.4Å; H553-F555 HydrophobicContact CB-CD2 4.42Å; H553-F555 HydrophobicContact CB-CE2 3.46Å; H553-F555 VanDerWaalsContact CB-CE2 3.46Å; H553-F555 HydrophobicContact CB-CZ 3.8Å; H553-E560 WeakPolarHBondContact CB-OE1 3.41Å; H553-E560 IonicContact CE1-OE1 3.45Å; H553-E560 IonicContact CG-OE1 3.34Å; H553-E560 IonicContact ND1-OE1 2.75Å; H553-E560 PolarHBondContact ND1-OE1 3.09Å; H553-E560 IonicContact ND1-OE2 3.63Å; H553-E560 PolarHBondContact ND1-OE2 3.26Å; H553-S564 WeakPolarHBondContact CA-OG 3.37Å |
| 554 | I | 91.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 119.5 | -178.9 | -53.7 | -174.5 | 0 | 0 | 0 | 108.9 | V479 F498 V500 L512 V514 L561 S564 F566 | V479-I554 HydrophobicContact CG1-CD1 3.81Å; V479-I554 HydrophobicContact CG2-CD1 4.07Å; F498-I554 HydrophobicContact CE2-CD1 4.32Å; V500-I554 HydrophobicContact CG2-CD1 4.28Å; L512-I554 HydrophobicContact CD1-CG2 3.67Å; V514-I554 HydrophobicContact CG1-CG1 4.24Å; V514-I554 HydrophobicContact CG2-CG1 4.21Å; V514-I554 HydrophobicContact CG2-CG2 4.24Å; I554-L561 HydrophobicContact CB-CD1 4.05Å; I554-L561 HydrophobicContact CB-CG 4.41Å; I554-L561 HydrophobicContact CG2-CD1 3.5Å; I554-L561 HydrophobicContact CG2-CG 4.08Å; I554-L561 PolarHBondContact O-N 3.28Å; I554-S564 PolarHBondContact N-OG 3.29Å; I554-F566 HydrophobicContact CD1-CD2 3.93Å; I554-F566 HydrophobicContact CD1-CE2 3.82Å; I554-F566 HydrophobicContact CG1-CD2 4.35Å; I554-F566 HydrophobicContact CG1-CE2 4.42Å |
| 555 | F | 84.1 | Confident | 84 | Confident | 29 Ų | 29 | 57.3 Ų | 57.3 | 13% | 0.127 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 145.9 | -178.5 | -54.1 | -94.7 | 0 | 0 | 0 | 111.1 | L513 K515 H553 Q559 E560 | L513-F555 HydrophobicContact CB-CB 4.36Å; L513-F555 PolarHBondContact N-O 2.87Å; L513-F555 PolarHBondContact O-N 2.82Å; K515-F555 HydrophobicContact CD-CD2 4.38Å; K515-F555 HydrophobicContact CD-CE2 3.77Å; K515-F555 HydrophobicContact CG-CE2 4.26Å; H553-F555 HydrophobicContact CB-CD2 4.42Å; H553-F555 HydrophobicContact CB-CE2 3.46Å; H553-F555 VanDerWaalsContact CB-CE2 3.46Å; H553-F555 HydrophobicContact CB-CZ 3.8Å; F555-Q559 CarbonylContact C-O 3.55Å; F555-Q559 WeakPolarHBondContact CA-O 3.31Å; F555-E560 HydrophobicContact CD1-CB 3.85Å; F555-E560 HydrophobicContact CD1-CG 4.46Å; F555-E560 HydrophobicContact CE1-CB 3.79Å; F555-E560 HydrophobicContact CE1-CG 4.21Å |
| 556 | Y | 80.8 | Confident | 84.5 | Confident | 8 Ų | 8 | 49.8 Ų | 49.8 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 126.7 | 167.6 | -174.5 | -94.5 | 0 | 0 | 0 | 109 | F472 I477 R511 D558 Q559 | F472-Y556 AromaticContact CD1-CD1 3.85Å; F472-Y556 HydrophobicContact CD1-CD1 3.85Å; F472-Y556 AromaticContact CD1-CE1 3.73Å; F472-Y556 HydrophobicContact CD1-CE1 3.73Å; F472-Y556 HydrophobicContact CD2-CE1 4.29Å; F472-Y556 AromaticContact CE1-CD1 3.37Å; F472-Y556 HydrophobicContact CE1-CD1 3.37Å; F472-Y556 AromaticContact CE1-CE1 3.27Å; F472-Y556 HydrophobicContact CE1-CE1 3.27Å; F472-Y556 HydrophobicContact CE1-CG 4.42Å; F472-Y556 AromaticContact CE2-CE1 3.91Å; F472-Y556 HydrophobicContact CE2-CE1 3.91Å; F472-Y556 HydrophobicContact CG-CE1 4.22Å; F472-Y556 AromaticContact CZ-CD1 3.92Å; F472-Y556 HydrophobicContact CZ-CD1 3.92Å; F472-Y556 AromaticContact CZ-CE1 3.38Å; F472-Y556 HydrophobicContact CZ-CE1 3.38Å; F472-Y556 AromaticContact CZ-CZ 3.98Å; I477-Y556 HydrophobicContact CD1-CD1 3.87Å; I477-Y556 HydrophobicContact CD1-CD2 3.83Å; I477-Y556 HydrophobicContact CD1-CE1 4.41Å; I477-Y556 HydrophobicContact CD1-CE2 4.38Å; I477-Y556 HydrophobicContact CD1-CG 3.54Å; R511-Y556 HydrophobicContact CB-CD2 3.78Å; R511-Y556 HydrophobicContact CB-CE2 3.53Å; R511-Y556 HydrophobicContact CB-CG 4.48Å; Y556-D558 VanDerWaalsContact C-N 3.28Å; Y556-D558 PolarHBondContact O-N 2.84Å; Y556-Q559 PolarHBondContact N-O 2.89Å; Y556-Q559 PolarHBondContact O-N 2.99Å |
| 557 | N | 73.8 | Confident | 84.9 | Confident | 87 Ų | 87 | 51 Ų | 51 | 47% | 0.465 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 42.2 | -169.1 | -77.2 | -34.8 | 0 | 0 | 0 | 113.3 | R511 Q559 | R511-N557 WeakPolarHBondContact CD-OD1 3.36Å; R511-N557 PolarHBondContact NE-OD1 2.9Å; N557-Q559 PolarHBondContact O-N 2.78Å |
| 558 | D | 69.6 | Low | 85.1 | Confident | 142 Ų | 142 | 49.7 Ų | 49.7 | 76% | 0.759 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | -4.2 | -173.9 | -65.7 | -51.8 | 0 | 0 | 0 | 116.3 | Y556 | Y556-D558 VanDerWaalsContact C-N 3.28Å; Y556-D558 PolarHBondContact O-N 2.84Å |
| 559 | Q | 71.5 | Confident | 85.2 | Confident | 124 Ų | 124 | 50.8 Ų | 50.8 | 58% | 0.579 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 129 | 168.5 | -173.9 | 176 | -23.1 | 0 | 0 | 109.6 | F555 Y556 N557 | F555-Q559 CarbonylContact C-O 3.55Å; F555-Q559 WeakPolarHBondContact CA-O 3.31Å; Y556-Q559 PolarHBondContact N-O 2.89Å; Y556-Q559 PolarHBondContact O-N 2.99Å; N557-Q559 PolarHBondContact O-N 2.78Å |
| 560 | E | 80.6 | Confident | 85.2 | Confident | 62 Ų | 62 | 46.8 Ų | 46.8 | 29% | 0.29 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 136.9 | 172.2 | -171.8 | 150.5 | -165.1 | 0 | 0 | 109.9 | H553 F555 S564 | H553-E560 WeakPolarHBondContact CB-OE1 3.41Å; H553-E560 IonicContact CE1-OE1 3.45Å; H553-E560 IonicContact CG-OE1 3.34Å; H553-E560 IonicContact ND1-OE1 2.75Å; H553-E560 PolarHBondContact ND1-OE1 3.09Å; H553-E560 IonicContact ND1-OE2 3.63Å; H553-E560 PolarHBondContact ND1-OE2 3.26Å; F555-E560 HydrophobicContact CD1-CB 3.85Å; F555-E560 HydrophobicContact CD1-CG 4.46Å; F555-E560 HydrophobicContact CE1-CB 3.79Å; F555-E560 HydrophobicContact CE1-CG 4.21Å; E560-S564 VanDerWaalsContact CG-CB 3.49Å; E560-S564 WeakPolarHBondContact CG-OG 3.22Å; E560-S564 PolarHBondContact OE1-OG 2.89Å |
| 561 | L | 81.5 | Confident | 85 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 150.1 | 179.6 | -62.2 | -177.2 | 0 | 0 | 0 | 110.8 | A474 I477 V479 I554 Q563 S564 | A474-L561 HydrophobicContact CB-CD2 4.33Å; I477-L561 HydrophobicContact CB-CD1 4.37Å; I477-L561 HydrophobicContact CB-CD2 4.24Å; I477-L561 HydrophobicContact CD1-CD2 3.91Å; I477-L561 HydrophobicContact CG2-CD1 3.72Å; I477-L561 HydrophobicContact CG2-CD2 4.32Å; V479-L561 HydrophobicContact CG2-CD1 4.04Å; I554-L561 HydrophobicContact CB-CD1 4.05Å; I554-L561 HydrophobicContact CB-CG 4.41Å; I554-L561 HydrophobicContact CG2-CD1 3.5Å; I554-L561 HydrophobicContact CG2-CG 4.08Å; I554-L561 PolarHBondContact O-N 3.28Å; L561-Q563 PolarHBondContact O-N 3.39Å; L561-Q563 VanDerWaalsContact O-N 3.07Å; L561-S564 VanDerWaalsContact O-CB 3.3Å; L561-S564 WeakPolarHBondContact O-CB 3.35Å; L561-S564 PolarHBondContact O-N 3.49Å |
| 562 | A | 74.5 | Confident | 84.8 | Confident | 96 Ų | 96 | 46.4 Ų | 46.4 | 79% | 0.793 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 563 | Q | 78.9 | Confident | 84.2 | Confident | 121 Ų | 121 | 51 Ų | 51 | 57% | 0.565 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -0.5 | 174.2 | -64.2 | 176.7 | -46.3 | 0 | 0 | 113.3 | L561 F566 | L561-Q563 PolarHBondContact O-N 3.39Å; L561-Q563 VanDerWaalsContact O-N 3.07Å; Q563-F566 HydrophobicContact CB-CE1 4Å; Q563-F566 HydrophobicContact CB-CE2 4.08Å; Q563-F566 HydrophobicContact CB-CZ 3.48Å; Q563-F566 VanDerWaalsContact CB-CZ 3.48Å |
| 564 | S | 85.3 | Confident | 83.6 | Confident | 19 Ų | 19 | 51.9 Ų | 51.9 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -102.6 | 144.4 | -175.1 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | H553 I554 E560 L561 | H553-S564 WeakPolarHBondContact CA-OG 3.37Å; I554-S564 PolarHBondContact N-OG 3.29Å; E560-S564 VanDerWaalsContact CG-CB 3.49Å; E560-S564 WeakPolarHBondContact CG-OG 3.22Å; E560-S564 PolarHBondContact OE1-OG 2.89Å; L561-S564 VanDerWaalsContact O-CB 3.3Å; L561-S564 WeakPolarHBondContact O-CB 3.35Å; L561-S564 PolarHBondContact O-N 3.49Å |
| 565 | P | 89.2 | Confident | 83.1 | Confident | 48 Ų | 48 | 61.4 Ų | 61.4 | 31% | 0.312 | 33% | 0.326 | S | S | . | . | S | Bend | cis | -73.5 | 140 | 0.4 | 28.6 | -34.5 | 0 | 0 | 0 | 113.9 | F552 | F552-P565 WeakPolarHBondContact O-CA 3.4Š|
| 566 | F | 91.3 | Very high | 83.2 | Confident | 24 Ų | 24 | 60.8 Ų | 60.8 | 11% | 0.105 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 128.2 | 166.3 | -63.1 | -101.5 | 0 | 0 | 0 | 108.7 | V479 I484 K551 F552 I554 Q563 | V479-F566 HydrophobicContact CB-CE1 4.26Å; V479-F566 HydrophobicContact CB-CE2 4.22Å; V479-F566 HydrophobicContact CB-CZ 3.67Å; V479-F566 HydrophobicContact CG1-CE1 4.36Å; V479-F566 HydrophobicContact CG1-CE2 4.19Å; V479-F566 HydrophobicContact CG1-CZ 3.96Å; V479-F566 HydrophobicContact CG2-CE2 4.12Å; V479-F566 HydrophobicContact CG2-CZ 3.9Å; I484-F566 HydrophobicContact CB-CB 4.36Å; I484-F566 HydrophobicContact CB-CD1 4.1Å; I484-F566 HydrophobicContact CB-CG 4.33Å; I484-F566 HydrophobicContact CD1-CD1 4.1Å; I484-F566 HydrophobicContact CD1-CE1 4.1Å; I484-F566 HydrophobicContact CG2-CB 4.47Å; K551-F566 WeakPolarHBondContact CA-O 3.37Å; F552-F566 HydrophobicContact CB-CB 4.29Å; F552-F566 PolarHBondContact N-O 3.11Å; F552-F566 PolarHBondContact O-N 2.81Å; I554-F566 HydrophobicContact CD1-CD2 3.93Å; I554-F566 HydrophobicContact CD1-CE2 3.82Å; I554-F566 HydrophobicContact CG1-CD2 4.35Å; I554-F566 HydrophobicContact CG1-CE2 4.42Å; Q563-F566 HydrophobicContact CB-CE1 4Å; Q563-F566 HydrophobicContact CB-CE2 4.08Å; Q563-F566 HydrophobicContact CB-CZ 3.48Å; Q563-F566 VanDerWaalsContact CB-CZ 3.48Å |
| 567 | E | 92.3 | Very high | 83.5 | Confident | 79 Ų | 79 | 62.4 Ų | 62.4 | 37% | 0.369 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 110.6 | -177.7 | -60.9 | -156 | -173.9 | 0 | 0 | 110.9 | I549 H550 K551 | I549-E567 HydrophobicContact CG2-CB 3.87Å; I549-E567 HydrophobicContact CG2-CG 4.42Å; H550-E567 WeakPolarHBondContact O-CA 3.24Å; K551-E567 HydrophobicContact CD-CG 4.17Å; K551-E567 WeakPolarHBondContact CD-OE1 3.48Å; K551-E567 WeakPolarHBondContact CE-OE1 3.25Å; K551-E567 WeakPolarHBondContact CE-OE2 3.15Å; K551-E567 HydrophobicContact CG-CG 4.2Å; K551-E567 IonicContact NZ-OE1 3.51Å; K551-E567 PolarHBondContact NZ-OE1 2.93Å; K551-E567 IonicContact NZ-OE2 3.9Å; K551-E567 PolarHBondContact NZ-OE2 2.81Å |
| 568 | V | 91.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 111.2 | -171 | 179.8 | 0 | 0 | 0 | 0 | 109.9 | Q485 V489 I549 H550 F552 I570 | Q485-V568 WeakPolarHBondContact O-CG1 3.31Å; V489-V568 HydrophobicContact CB-CG1 4.23Å; V489-V568 HydrophobicContact CG2-CG1 4.12Å; I549-V568 WeakPolarHBondContact CA-O 3.41Å; H550-V568 HydrophobicContact CB-CB 4.49Å; H550-V568 PolarHBondContact N-O 2.73Å; H550-V568 PolarHBondContact O-N 3.15Å; F552-V568 HydrophobicContact CD2-CB 4.46Å; F552-V568 HydrophobicContact CD2-CG2 3.79Å; F552-V568 HydrophobicContact CE2-CB 4.02Å; F552-V568 HydrophobicContact CE2-CG2 3.67Å; V568-I570 HydrophobicContact CG1-CD1 4.5Å; V568-I570 HydrophobicContact CG1-CG1 3.91Å; V568-I570 PolarHBondContact O-N 3.5Å |
| 569 | A | 91.6 | Very high | 85.6 | Confident | 31 Ų | 31 | 54.5 Ų | 54.5 | 26% | 0.256 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 64.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A486 I549 G571 K1695 | A486-A569 VanDerWaalsContact O-CB 3.25Å; A486-A569 WeakPolarHBondContact O-CB 3.45Å; A486-A569 PolarHBondContact O-N 2.56Å; I549-A569 HydrophobicContact CG1-CB 4.48Å; A569-G571 PolarHBondContact O-N 3.24Å; A569-G571 VanDerWaalsContact O-N 3.13Å; A569-K1695 PolarHBondContact O-NZ 2.84Å |
| 570 | I | 91.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.5 | 115.5 | -173.1 | -57.4 | -163.7 | 0 | 0 | 0 | 112.4 | V489 Y542 P544 G548 H550 V568 | V489-I570 HydrophobicContact CB-CG1 4.38Å; V489-I570 HydrophobicContact CG1-CD1 4.03Å; V489-I570 HydrophobicContact CG1-CG1 4Å; V489-I570 HydrophobicContact CG1-CG2 4.44Å; V489-I570 CarbonylContact O-C 3.54Å; V489-I570 VanDerWaalsContact O-CA 3.32Å; V489-I570 WeakPolarHBondContact O-CA 3.48Å; Y542-I570 HydrophobicContact CE2-CD1 3.96Å; P544-I570 HydrophobicContact CB-CD1 3.85Å; P544-I570 HydrophobicContact CB-CG2 3.77Å; P544-I570 HydrophobicContact CG-CD1 4.04Å; P544-I570 HydrophobicContact CG-CG2 4.5Å; G548-I570 PolarHBondContact N-O 3.47Å; G548-I570 PolarHBondContact O-N 3.07Å; G548-I570 VanDerWaalsContact O-N 3.15Å; H550-I570 HydrophobicContact CB-CD1 4.48Å; H550-I570 WeakPolarHBondContact ND1-CD1 3.48Å; V568-I570 HydrophobicContact CG1-CD1 4.5Å; V568-I570 HydrophobicContact CG1-CG1 3.91Å; V568-I570 PolarHBondContact O-N 3.5Å |
| 571 | G | 86.2 | Confident | 87.3 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -88.8 | 167.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | V489 R490 L491 V547 A569 K1695 | V489-G571 PolarHBondContact O-N 3.3Å; R490-G571 CarbonylContact C-O 3.32Å; R490-G571 WeakPolarHBondContact CA-O 3.38Å; L491-G571 WeakPolarHBondContact CB-O 3.24Å; L491-G571 PolarHBondContact N-O 3.48Å; V547-G571 VanDerWaalsContact CG1-C 3.46Å; V547-G571 VanDerWaalsContact CG1-O 3.31Å; V547-G571 WeakPolarHBondContact CG1-O 3.36Å; A569-G571 PolarHBondContact O-N 3.24Å; A569-G571 VanDerWaalsContact O-N 3.13Å; G571-K1695 VanDerWaalsContact CA-CE 3.44Å |
| 572 | P | 87.5 | Confident | 87.8 | Confident | 69 Ų | 69 | 46.8 Ų | 46.8 | 45% | 0.448 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 160.1 | 169.3 | 30.5 | -37.3 | 0 | 0 | 0 | 110.7 | M574 | P572-M574 PolarHBondContact O-N 3.47Š|
| 573 | T | 82.5 | Confident | 88.6 | Confident | 95 Ų | 95 | 43.1 Ų | 43.1 | 58% | 0.583 | 23% | 0.23 | S | C | * | . | P | Polyproline II helix | trans | -56.8 | 121.6 | 172.8 | -43.7 | 0 | 0 | 0 | 0 | 109.6 | L491 | L491-T573 WeakPolarHBondContact O-CB 3.25Å; L491-T573 PolarHBondContact O-OG1 3.14Å |
| 574 | M | 79.2 | Confident | 89.2 | Confident | 47 Ų | 47 | 37.4 Ų | 37.4 | 23% | 0.232 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -102.3 | 144 | 179.6 | -176.3 | 170.4 | 171.6 | 0 | 0 | 109.8 | P572 D651 P653 | P572-M574 PolarHBondContact O-N 3.47Å; M574-D651 VanDerWaalsContact SD-O 3.32Å; M574-P653 HydrophobicContact CB-CG 4.45Å; M574-P653 HydrophobicContact CG-CG 4.35Å |
| 575 | R | 81 | Confident | 89.6 | Confident | 200 Ų | 200 | 37 Ų | 37 | 76% | 0.755 | 20% | 0.2 | S | C | * | . | trans | -122.9 | 141.9 | 162.9 | -54.8 | -171.2 | -160.9 | -160.6 | 9.5 | 107.6 | E1600 | R575-E1600 IonicContact CZ-OE1 3.15Å; R575-E1600 IonicContact NH2-OE1 3.57Å; R575-E1600 PolarHBondContact NH2-OE1 2.94Å | ||
| 576 | S | 86.5 | Confident | 89.6 | Confident | 16 Ų | 16 | 40.1 Ų | 40.1 | 11% | 0.112 | 21% | 0.209 | C | C | . | . | trans | -147.9 | 147.6 | 173.9 | 169.1 | 0 | 0 | 0 | 0 | 107.4 | I578 K579 E603 | S576-I578 VanDerWaalsContact OG-CB 3.26Å; S576-I578 WeakPolarHBondContact OG-CB 3.42Å; S576-I578 WeakPolarHBondContact OG-CD1 3.47Å; S576-I578 VanDerWaalsContact OG-CG1 3.29Å; S576-I578 WeakPolarHBondContact OG-CG1 3.49Å; S576-I578 PolarHBondContact OG-N 3.19Å; S576-K579 PolarHBondContact O-NZ 3.17Å; S576-E603 WeakPolarHBondContact CA-OE2 3.33Å; S576-E603 WeakPolarHBondContact CB-OE1 3.36Å; S576-E603 PolarHBondContact OG-OE1 3.23Å; S576-E603 PolarHBondContact OG-OE2 3.32Å | ||
| 577 | A | 88 | Confident | 89.6 | Confident | 42 Ų | 42 | 44.6 Ų | 44.6 | 35% | 0.347 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -74.6 | -19 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K579 N601 E603 | A577-K579 PolarHBondContact O-N 2.98Å; A577-K579 PolarHBondContact O-NZ 3.07Å; A577-N601 HydrophobicContact CB-CB 4.06Å; A577-N601 PolarHBondContact O-ND2 3.41Å; A577-E603 HydrophobicContact CB-CB 4.26Å; A577-E603 PolarHBondContact N-OE2 3.1Å |
| 578 | I | 93.2 | Very high | 89.5 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | trans | -60.9 | 133.1 | 175.7 | -53.2 | 163.4 | 0 | 0 | 0 | 110.1 | S576 V598 E599 E603 C605 L607 A647 I652 | S576-I578 VanDerWaalsContact OG-CB 3.26Å; S576-I578 WeakPolarHBondContact OG-CB 3.42Å; S576-I578 WeakPolarHBondContact OG-CD1 3.47Å; S576-I578 VanDerWaalsContact OG-CG1 3.29Å; S576-I578 WeakPolarHBondContact OG-CG1 3.49Å; S576-I578 PolarHBondContact OG-N 3.19Å; I578-V598 HydrophobicContact CG2-CG1 3.77Å; I578-E599 CarbonylContact C-O 3.58Å; I578-E599 WeakPolarHBondContact CA-O 3.3Å; I578-E599 WeakPolarHBondContact CG2-O 3.29Å; I578-E603 HydrophobicContact CD1-CB 4.44Å; I578-E603 HydrophobicContact CD1-CG 4.28Å; I578-E603 WeakPolarHBondContact CD1-OE1 3.44Å; I578-E603 HydrophobicContact CG1-CB 3.91Å; I578-E603 HydrophobicContact CG1-CG 4.22Å; I578-C605 WeakPolarHBondContact CD1-SG 3.44Å; I578-L607 HydrophobicContact CD1-CD2 4.2Å; I578-L607 HydrophobicContact CG2-CD2 4.34Å; I578-A647 HydrophobicContact CD1-CB 3.52Å; I578-I652 HydrophobicContact CB-CG2 4.47Å; I578-I652 HydrophobicContact CD1-CG2 4.36Å; I578-I652 HydrophobicContact CG2-CD1 4.17Å; I578-I652 HydrophobicContact CG2-CG2 4.37Å | ||
| 579 | K | 92.9 | Very high | 89.3 | Confident | 62 Ų | 62 | 41 Ų | 41 | 27% | 0.27 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 141.9 | -179.7 | -64.7 | -71.2 | 155.6 | -69.2 | 0 | 109.9 | S576 A577 F581 V598 E599 D713 | S576-K579 PolarHBondContact O-NZ 3.17Å; A577-K579 PolarHBondContact O-N 2.98Å; A577-K579 PolarHBondContact O-NZ 3.07Å; K579-F581 HydrophobicContact CB-CD1 4.2Å; K579-F581 HydrophobicContact CB-CE1 4.21Å; K579-V598 CarbonylContact O-C 3.57Å; K579-V598 VanDerWaalsContact O-CA 3.29Å; K579-V598 WeakPolarHBondContact O-CA 3.33Å; K579-E599 PolarHBondContact N-O 2.93Å; K579-E599 PolarHBondContact O-N 2.9Å; K579-D713 VanDerWaalsContact CD-O 3.28Å; K579-D713 WeakPolarHBondContact CD-O 3.29Å; K579-D713 WeakPolarHBondContact CG-O 3.26Å |
| 580 | A | 93.8 | Very high | 89.2 | Confident | 18 Ų | 18 | 40.4 Ų | 40.4 | 15% | 0.149 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129.1 | 176 | 0 | 0 | 0 | 0 | 0 | 109.7 | L585 T597 V598 I645 I652 F657 | A580-L585 HydrophobicContact CB-CD1 3.84Å; A580-T597 WeakPolarHBondContact CA-O 3.3Å; A580-V598 HydrophobicContact CB-CG2 3.98Å; A580-I645 HydrophobicContact CB-CD1 3.28Å; A580-I652 HydrophobicContact CB-CD1 4.05Å; A580-F657 HydrophobicContact CB-CE2 4.24Å; A580-F657 HydrophobicContact CB-CZ 4.25Å |
| 581 | F | 94 | Very high | 89 | Confident | 13 Ų | 13 | 44.6 Ų | 44.6 | 6% | 0.057 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 150.5 | -173.7 | 48.2 | -107.9 | 0 | 0 | 0 | 112.3 | K579 F596 T597 E599 Y710 D711 F744 | K579-F581 HydrophobicContact CB-CD1 4.2Å; K579-F581 HydrophobicContact CB-CE1 4.21Å; F581-F596 WeakPolarHBondContact O-CA 3.4Å; F581-F596 WeakPolarHBondContact O-CB 3.35Å; F581-T597 HydrophobicContact CE2-CG2 3.89Å; F581-T597 HydrophobicContact CZ-CG2 4.15Å; F581-T597 PolarHBondContact N-O 3.18Å; F581-T597 PolarHBondContact O-N 3.23Å; F581-E599 HydrophobicContact CE1-CB 4.33Å; F581-E599 HydrophobicContact CE1-CG 3.7Å; F581-E599 HydrophobicContact CZ-CG 3.48Å; F581-E599 VanDerWaalsContact CZ-CG 3.48Å; F581-Y710 HydrophobicContact CB-CD1 4.29Å; F581-Y710 HydrophobicContact CB-CD2 3.9Å; F581-Y710 HydrophobicContact CB-CE2 4.39Å; F581-Y710 HydrophobicContact CB-CG 3.87Å; F581-Y710 AromaticContact CD2-CD2 3.73Å; F581-Y710 HydrophobicContact CD2-CD2 3.73Å; F581-Y710 AromaticContact CD2-CG 3.87Å; F581-Y710 HydrophobicContact CD2-CG 3.87Å; F581-Y710 HydrophobicContact CG-CD2 4.05Å; F581-Y710 AromaticContact CG-CG 3.88Å; F581-Y710 HydrophobicContact CG-CG 3.88Å; F581-D711 WeakPolarHBondContact CE1-O 3.48Å; F581-F744 AromaticContact CD2-CE2 3.9Å; F581-F744 HydrophobicContact CD2-CE2 3.9Å; F581-F744 HydrophobicContact CD2-CZ 4.22Å; F581-F744 HydrophobicContact CE2-CE2 4.25Å; F581-F744 WeakPolarHBondContact O-CZ 3.47Å |
| 582 | G | 92.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 144.7 | 170.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | G584 L585 | G582-G584 VanDerWaalsContact C-N 3.33Å; G582-G584 PolarHBondContact O-N 2.84Å; G582-L585 PolarHBondContact O-N 3.47Å |
| 583 | P | 91.9 | Very high | 89.1 | Confident | 18 Ų | 18 | 47.1 Ų | 47.1 | 12% | 0.117 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -66.7 | -33.5 | -179.7 | 27.5 | -34.5 | 0 | 0 | 0 | 112.5 | L585 K586 R587 K595 F744 T746 | P583-L585 PolarHBondContact O-N 3.13Å; P583-L585 VanDerWaalsContact O-N 3.14Å; P583-K586 PolarHBondContact O-N 3.16Å; P583-R587 PolarHBondContact O-N 3.34Å; P583-K595 VanDerWaalsContact CD-O 3.31Å; P583-K595 WeakPolarHBondContact CD-O 3.05Å; P583-F744 HydrophobicContact CG-CB 4.22Å; P583-F744 HydrophobicContact CG-CD1 3.99Å; P583-F744 HydrophobicContact CG-CG 4.38Å; P583-T746 HydrophobicContact CB-CG2 3.67Å; P583-T746 HydrophobicContact CG-CG2 3.52Å |
| 584 | G | 91.7 | Very high | 89.5 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -66 | -11.1 | 180 | 0 | 0 | 0 | 0 | 0 | 115.1 | G582 K595 Y633 | G582-G584 VanDerWaalsContact C-N 3.33Å; G582-G584 PolarHBondContact O-N 2.84Å; G584-K595 WeakPolarHBondContact CA-O 3.44Å; G584-K595 PolarHBondContact N-O 2.85Å; G584-Y633 WeakPolarHBondContact O-CE1 3.45Å; G584-Y633 PolarHBondContact O-OH 2.99Å |
| 585 | L | 93.2 | Very high | 90.2 | Very high | 12 Ų | 12 | 42.5 Ų | 42.5 | 6% | 0.063 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -94.3 | 7.7 | 170.9 | -60.3 | 175.9 | 0 | 0 | 0 | 112.8 | A580 G582 P583 F596 V643 I645 F657 | A580-L585 HydrophobicContact CB-CD1 3.84Å; G582-L585 PolarHBondContact O-N 3.47Å; P583-L585 PolarHBondContact O-N 3.13Å; P583-L585 VanDerWaalsContact O-N 3.14Å; L585-F596 HydrophobicContact CD1-CB 4.03Å; L585-F596 HydrophobicContact CD1-CD2 3.9Å; L585-F596 HydrophobicContact CD1-CE2 4.5Å; L585-F596 HydrophobicContact CD1-CG 4Å; L585-F596 HydrophobicContact CD2-CB 4.39Å; L585-F596 HydrophobicContact CD2-CD1 3.62Å; L585-F596 HydrophobicContact CD2-CD2 3.93Å; L585-F596 HydrophobicContact CD2-CE1 3.66Å; L585-F596 HydrophobicContact CD2-CE2 3.98Å; L585-F596 HydrophobicContact CD2-CG 3.75Å; L585-F596 HydrophobicContact CD2-CZ 3.84Å; L585-F596 HydrophobicContact CG-CB 3.74Å; L585-F596 HydrophobicContact CG-CD1 3.9Å; L585-F596 HydrophobicContact CG-CD2 3.99Å; L585-F596 HydrophobicContact CG-CE1 4.44Å; L585-F596 HydrophobicContact CG-CG 3.63Å; L585-V643 HydrophobicContact CD2-CB 4.14Å; L585-V643 HydrophobicContact CD2-CG1 3.73Å; L585-I645 HydrophobicContact CD1-CD1 4.37Å; L585-I645 HydrophobicContact CD2-CD1 4.22Å; L585-F657 HydrophobicContact CB-CB 4.11Å; L585-F657 HydrophobicContact CB-CD1 4.15Å; L585-F657 HydrophobicContact CB-CG 4.15Å; L585-F657 HydrophobicContact CD1-CD1 4.28Å; L585-F657 HydrophobicContact CD1-CD2 4.35Å; L585-F657 HydrophobicContact CD1-CE1 4.4Å; L585-F657 HydrophobicContact CD1-CE2 4.48Å; L585-F657 HydrophobicContact CD1-CG 4.27Å; L585-F657 HydrophobicContact CD2-CB 3.94Å; L585-F657 HydrophobicContact CD2-CD2 4.04Å; L585-F657 HydrophobicContact CD2-CG 3.97Å; L585-F657 HydrophobicContact CG-CG 4.35Å |
| 586 | K | 89.4 | Confident | 90.9 | Very high | 113 Ų | 113 | 33.1 Ų | 33.1 | 49% | 0.491 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.6 | -52 | -174.3 | -61.7 | 175.9 | -180 | 174.3 | 0 | 112.6 | P583 Y710 | P583-K586 PolarHBondContact O-N 3.16Å; K586-Y710 PolarHBondContact NZ-OH 2.8Å |
| 587 | R | 90.4 | Very high | 91.2 | Very high | 118 Ų | 118 | 32.4 Ų | 32.4 | 45% | 0.445 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 157 | 178.7 | -67.9 | -168.1 | 173.8 | -67.8 | -18 | 111.7 | P583 D660 N749 | P583-R587 PolarHBondContact O-N 3.34Å; R587-D660 WeakPolarHBondContact CA-O 3.3Å; R587-D660 IonicContact CZ-OD2 2.82Å; R587-D660 VanDerWaalsContact CZ-OD2 3.26Å; R587-D660 VanDerWaalsContact NH1-CB 3.27Å; R587-D660 IonicContact NH1-OD2 3.19Å; R587-D660 PolarHBondContact NH1-OD2 3.42Å; R587-D660 IonicContact NH2-OD2 2.8Å; R587-D660 PolarHBondContact NH2-OD2 3.22Å; R587-N749 HydrophobicContact CB-CB 4.39Å; R587-N749 WeakPolarHBondContact CB-OD1 3.38Å |
| 588 | G | 90.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | -179.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | C594 D660 V662 | G588-C594 VanDerWaalsContact CA-SG 3.59Å; G588-D660 PolarHBondContact N-O 3.19Å; G588-V662 PolarHBondContact O-N 2.83Å; G588-V662 VanDerWaalsContact O-N 3.11Å |
| 589 | V | 88.5 | Confident | 91.6 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.018 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 138.9 | -177.9 | 180 | 0 | 0 | 0 | 0 | 109.3 | D591 K592 V662 D748 N749 Q750 | V589-D591 PolarHBondContact O-N 3.1Å; V589-K592 HydrophobicContact CB-CB 4.08Å; V589-K592 HydrophobicContact CB-CG 3.96Å; V589-K592 HydrophobicContact CG1-CG 3.87Å; V589-K592 WeakPolarHBondContact O-CB 3.4Å; V589-K592 PolarHBondContact O-N 2.91Å; V589-K592 VanDerWaalsContact O-N 3.13Å; V589-V662 VanDerWaalsContact CA-O 3.29Å; V589-V662 WeakPolarHBondContact CA-O 3.43Å; V589-V662 HydrophobicContact CG2-CG2 4.45Å; V589-D748 WeakPolarHBondContact CG2-O 3.23Å; V589-N749 HydrophobicContact CG2-CB 4.2Å; V589-Q750 HydrophobicContact CB-CG 4.07Å; V589-Q750 HydrophobicContact CG1-CG 4.42Å; V589-Q750 HydrophobicContact CG2-CG 3.88Å |
| 590 | V | 88.8 | Confident | 91.5 | Very high | 19 Ų | 19 | 29 Ų | 29 | 12% | 0.115 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 136.4 | 178 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | K592 K636 V638 I661 V662 | V590-K592 PolarHBondContact O-N 2.75Å; V590-K636 WeakPolarHBondContact CG1-O 3.5Å; V590-V638 HydrophobicContact CG2-CB 4.43Å; V590-V638 HydrophobicContact CG2-CG2 3.65Å; V590-I661 HydrophobicContact CG2-CG2 3.78Å; V590-V662 PolarHBondContact N-O 3.43Å |
| 591 | D | 87.5 | Confident | 91.2 | Very high | 88 Ų | 88 | 30.7 Ų | 30.7 | 47% | 0.471 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 31 | -175.7 | -67.9 | -49 | 0 | 0 | 0 | 114.4 | V589 P635 K636 | V589-D591 PolarHBondContact O-N 3.1Å; D591-P635 PolarHBondContact N-O 2.87Å; D591-K636 WeakPolarHBondContact OD1-CD 3.38Å; D591-K636 IonicContact OD1-NZ 2.86Å |
| 592 | K | 87.5 | Confident | 90.5 | Very high | 73 Ų | 73 | 33.1 Ų | 33.1 | 32% | 0.317 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -132.6 | 144.1 | 175.9 | -55.7 | -68.6 | 162.8 | -112.5 | 0 | 112.1 | V589 V590 C594 Q750 | V589-K592 HydrophobicContact CB-CB 4.08Å; V589-K592 HydrophobicContact CB-CG 3.96Å; V589-K592 HydrophobicContact CG1-CG 3.87Å; V589-K592 WeakPolarHBondContact O-CB 3.4Å; V589-K592 PolarHBondContact O-N 2.91Å; V589-K592 VanDerWaalsContact O-N 3.13Å; V590-K592 PolarHBondContact O-N 2.75Å; K592-C594 PolarHBondContact O-N 3.46Å; K592-Q750 HydrophobicContact CB-CG 4.2Å; K592-Q750 HydrophobicContact CD-CG 4.38Å; K592-Q750 HydrophobicContact CG-CG 3.93Å |
| 593 | P | 88.1 | Confident | 90 | Very high | 49 Ų | 49 | 36.1 Ų | 36.1 | 32% | 0.318 | 19% | 0.192 | S | C | . | . | trans | -71.6 | 111.9 | -178.2 | 28.5 | -34.4 | 0 | 0 | 0 | 111.9 | Y633 V634 S751 | P593-Y633 WeakPolarHBondContact CA-O 3.49Å; P593-V634 HydrophobicContact CB-CG2 4.41Å; P593-S751 PolarHBondContact O-OG 2.88Å | ||
| 594 | C | 91.2 | Very high | 89.3 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.02 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 109.9 | 169 | -57.5 | 0 | 0 | 0 | 0 | 107.5 | G588 K592 S632 Y633 | G588-C594 VanDerWaalsContact CA-SG 3.59Å; K592-C594 PolarHBondContact O-N 3.46Å; C594-S632 WeakPolarHBondContact O-CA 3.49Å; C594-Y633 HydrophobicContact CB-CD1 3.88Å; C594-Y633 HydrophobicContact CB-CD2 4.22Å; C594-Y633 HydrophobicContact CB-CE1 3.56Å; C594-Y633 HydrophobicContact CB-CE2 3.95Å; C594-Y633 HydrophobicContact CB-CG 4.21Å; C594-Y633 PolarHBondContact N-O 2.81Å; C594-Y633 PolarHBondContact O-N 2.82Å |
| 595 | K | 93.3 | Very high | 88.3 | Confident | 42 Ų | 42 | 43.9 Ų | 43.9 | 18% | 0.183 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 141.5 | -173.2 | -63.2 | -174.2 | -177.3 | 171.6 | 0 | 112.7 | P583 G584 I631 S751 I752 S755 | P583-K595 VanDerWaalsContact CD-O 3.31Å; P583-K595 WeakPolarHBondContact CD-O 3.05Å; G584-K595 WeakPolarHBondContact CA-O 3.44Å; G584-K595 PolarHBondContact N-O 2.85Å; K595-I631 CarbonylContact C-O 3.59Å; K595-I631 WeakPolarHBondContact CA-O 3.27Å; K595-S751 WeakPolarHBondContact CG-OG 3.32Å; K595-I752 PolarHBondContact NZ-O 3.26Å; K595-S755 WeakPolarHBondContact CD-O 3.34Å; K595-S755 WeakPolarHBondContact CE-O 3.45Å; K595-S755 PolarHBondContact NZ-O 2.85Å |
| 596 | F | 95.1 | Very high | 87.5 | Confident | 3 Ų | 3 | 47 Ų | 47 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 169 | 170.6 | 66.3 | -92.8 | 0 | 0 | 0 | 110.8 | F581 L585 V598 I631 Y633 V643 I645 | F581-F596 WeakPolarHBondContact O-CA 3.4Å; F581-F596 WeakPolarHBondContact O-CB 3.35Å; L585-F596 HydrophobicContact CD1-CB 4.03Å; L585-F596 HydrophobicContact CD1-CD2 3.9Å; L585-F596 HydrophobicContact CD1-CE2 4.5Å; L585-F596 HydrophobicContact CD1-CG 4Å; L585-F596 HydrophobicContact CD2-CB 4.39Å; L585-F596 HydrophobicContact CD2-CD1 3.62Å; L585-F596 HydrophobicContact CD2-CD2 3.93Å; L585-F596 HydrophobicContact CD2-CE1 3.66Å; L585-F596 HydrophobicContact CD2-CE2 3.98Å; L585-F596 HydrophobicContact CD2-CG 3.75Å; L585-F596 HydrophobicContact CD2-CZ 3.84Å; L585-F596 HydrophobicContact CG-CB 3.74Å; L585-F596 HydrophobicContact CG-CD1 3.9Å; L585-F596 HydrophobicContact CG-CD2 3.99Å; L585-F596 HydrophobicContact CG-CE1 4.44Å; L585-F596 HydrophobicContact CG-CG 3.63Å; F596-V598 HydrophobicContact CD2-CG2 3.89Å; F596-V598 HydrophobicContact CE2-CG2 3.61Å; F596-I631 HydrophobicContact CD1-CB 4.13Å; F596-I631 HydrophobicContact CD1-CG2 4.31Å; F596-I631 HydrophobicContact CD2-CB 3.98Å; F596-I631 HydrophobicContact CD2-CG1 4.2Å; F596-I631 HydrophobicContact CE1-CB 3.77Å; F596-I631 HydrophobicContact CE1-CG2 3.55Å; F596-I631 HydrophobicContact CE2-CB 3.59Å; F596-I631 HydrophobicContact CE2-CG1 3.59Å; F596-I631 HydrophobicContact CE2-CG2 4.07Å; F596-I631 HydrophobicContact CG-CB 4.24Å; F596-I631 HydrophobicContact CZ-CB 3.49Å; F596-I631 VanDerWaalsContact CZ-CB 3.49Å; F596-I631 HydrophobicContact CZ-CG1 3.84Å; F596-I631 HydrophobicContact CZ-CG2 3.42Å; F596-I631 VanDerWaalsContact CZ-CG2 3.42Å; F596-I631 PolarHBondContact N-O 2.75Å; F596-I631 PolarHBondContact O-N 2.81Å; F596-Y633 HydrophobicContact CD1-CD1 4.47Å; F596-Y633 HydrophobicContact CD1-CE1 4.45Å; F596-Y633 HydrophobicContact CE1-CD1 4Å; F596-Y633 HydrophobicContact CE1-CE1 4.15Å; F596-V643 HydrophobicContact CE1-CG1 3.83Å; F596-V643 HydrophobicContact CZ-CG1 3.75Å; F596-I645 HydrophobicContact CD2-CD1 4.25Å; F596-I645 HydrophobicContact CE2-CD1 3.48Å; F596-I645 VanDerWaalsContact CE2-CD1 3.48Å; F596-I645 HydrophobicContact CE2-CG1 4.23Å; F596-I645 HydrophobicContact CZ-CD1 4.02Å; F596-I645 HydrophobicContact CZ-CG1 4.41Å |
| 597 | T | 94.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 147 | 178.3 | -62.8 | 0 | 0 | 0 | 0 | 109.4 | A580 F581 E599 V629 D630 F744 | A580-T597 WeakPolarHBondContact CA-O 3.3Å; F581-T597 HydrophobicContact CE2-CG2 3.89Å; F581-T597 HydrophobicContact CZ-CG2 4.15Å; F581-T597 PolarHBondContact N-O 3.18Å; F581-T597 PolarHBondContact O-N 3.23Å; T597-E599 HydrophobicContact CG2-CG 4.37Å; T597-V629 WeakPolarHBondContact CA-O 3.42Å; T597-D630 WeakPolarHBondContact CB-OD1 3.42Å; T597-D630 WeakPolarHBondContact CG2-OD1 3.41Å; T597-D630 PolarHBondContact OG1-OD1 2.91Å; T597-F744 WeakPolarHBondContact OG1-CZ 3.48Å |
| 598 | V | 95.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 119.2 | 172.2 | -175.2 | 0 | 0 | 0 | 0 | 109.5 | I578 K579 A580 F596 F609 S628 V629 I631 I645 | I578-V598 HydrophobicContact CG2-CG1 3.77Å; K579-V598 CarbonylContact O-C 3.57Å; K579-V598 VanDerWaalsContact O-CA 3.29Å; K579-V598 WeakPolarHBondContact O-CA 3.33Å; A580-V598 HydrophobicContact CB-CG2 3.98Å; F596-V598 HydrophobicContact CD2-CG2 3.89Å; F596-V598 HydrophobicContact CE2-CG2 3.61Å; V598-F609 HydrophobicContact CG2-CE1 4.03Å; V598-S628 CarbonylContact O-C 3.54Å; V598-S628 WeakPolarHBondContact O-CA 3.31Å; V598-S628 VanDerWaalsContact O-CB 3.28Å; V598-S628 WeakPolarHBondContact O-CB 3.42Å; V598-V629 PolarHBondContact N-O 2.86Å; V598-V629 PolarHBondContact O-N 3.43Å; V598-I631 HydrophobicContact CG2-CG1 4.24Å; V598-I645 HydrophobicContact CG1-CG2 4.23Å; V598-I645 HydrophobicContact CG2-CD1 4.03Å; V598-I645 HydrophobicContact CG2-CG2 4.31Å |
| 599 | E | 93.5 | Very high | 87.3 | Confident | 12 Ų | 12 | 41.9 Ų | 41.9 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 130.1 | 177.8 | -70.5 | -75.6 | 166.8 | 0 | 0 | 109.3 | I578 K579 F581 T597 S628 | I578-E599 CarbonylContact C-O 3.58Å; I578-E599 WeakPolarHBondContact CA-O 3.3Å; I578-E599 WeakPolarHBondContact CG2-O 3.29Å; K579-E599 PolarHBondContact N-O 2.93Å; K579-E599 PolarHBondContact O-N 2.9Å; F581-E599 HydrophobicContact CE1-CB 4.33Å; F581-E599 HydrophobicContact CE1-CG 3.7Å; F581-E599 HydrophobicContact CZ-CG 3.48Å; F581-E599 VanDerWaalsContact CZ-CG 3.48Å; T597-E599 HydrophobicContact CG2-CG 4.37Å; E599-S628 VanDerWaalsContact CD-CB 3.4Å; E599-S628 VanDerWaalsContact OE2-CB 3.32Å; E599-S628 WeakPolarHBondContact OE2-CB 3.41Å |
| 600 | T | 90.8 | Very high | 87.4 | Confident | 24 Ų | 24 | 43.4 Ų | 43.4 | 15% | 0.147 | 26% | 0.261 | C | S | . | . | trans | -77.8 | -25.7 | 174.2 | 59.2 | 0 | 0 | 0 | 0 | 113 | G602 E603 L607 G627 | T600-G602 PolarHBondContact O-N 2.93Å; T600-G602 VanDerWaalsContact O-N 3.12Å; T600-G602 PolarHBondContact OG1-N 3.07Å; T600-E603 WeakPolarHBondContact O-CB 3.47Å; T600-E603 PolarHBondContact O-N 3.1Å; T600-L607 HydrophobicContact CG2-CD1 3.99Å; T600-G627 WeakPolarHBondContact CB-O 3.45Å; T600-G627 VanDerWaalsContact CG2-O 3.32Å; T600-G627 WeakPolarHBondContact CG2-O 3.39Å; T600-G627 PolarHBondContact N-O 2.81Å; T600-G627 PolarHBondContact OG1-O 2.94Å | ||
| 601 | N | 87.1 | Confident | 87.5 | Confident | 53 Ų | 53 | 43.5 Ų | 43.5 | 28% | 0.283 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 31.4 | -166.3 | -65.4 | -68.2 | 0 | 0 | 0 | 113.7 | A577 S712 | A577-N601 HydrophobicContact CB-CB 4.06Å; A577-N601 PolarHBondContact O-ND2 3.41Å; N601-S712 PolarHBondContact ND2-O 2.86Å; N601-S712 VanDerWaalsContact OD1-CB 3.31Å; N601-S712 WeakPolarHBondContact OD1-CB 3.35Å; N601-S712 PolarHBondContact OD1-O 2.95Å; N601-S712 PolarHBondContact OD1-OG 2.86Å |
| 602 | G | 79.8 | Confident | 87.4 | Confident | 63 Ų | 63 | 44.5 Ų | 44.5 | 65% | 0.649 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | 4.1 | 180 | 0 | 0 | 0 | 0 | 0 | 115.7 | T600 V604 | T600-G602 PolarHBondContact O-N 2.93Å; T600-G602 VanDerWaalsContact O-N 3.12Å; T600-G602 PolarHBondContact OG1-N 3.07Å; G602-V604 PolarHBondContact O-N 2.91Å |
| 603 | E | 81.8 | Confident | 87.4 | Confident | 65 Ų | 65 | 43.1 Ų | 43.1 | 30% | 0.304 | 27% | 0.27 | S | S | . | . | trans | -73.7 | 112.4 | 171.3 | -168.6 | 164.4 | 119.5 | 0 | 0 | 110.4 | S576 A577 I578 T600 C605 | S576-E603 WeakPolarHBondContact CA-OE2 3.33Å; S576-E603 WeakPolarHBondContact CB-OE1 3.36Å; S576-E603 PolarHBondContact OG-OE1 3.23Å; S576-E603 PolarHBondContact OG-OE2 3.32Å; A577-E603 HydrophobicContact CB-CB 4.26Å; A577-E603 PolarHBondContact N-OE2 3.1Å; I578-E603 HydrophobicContact CD1-CB 4.44Å; I578-E603 HydrophobicContact CD1-CG 4.28Å; I578-E603 WeakPolarHBondContact CD1-OE1 3.44Å; I578-E603 HydrophobicContact CG1-CB 3.91Å; I578-E603 HydrophobicContact CG1-CG 4.22Å; T600-E603 WeakPolarHBondContact O-CB 3.47Å; T600-E603 PolarHBondContact O-N 3.1Å; E603-C605 PolarHBondContact O-N 2.74Å | ||
| 604 | V | 76.7 | Confident | 87 | Confident | 148 Ų | 148 | 44.6 Ų | 44.6 | 90% | 0.897 | 28% | 0.28 | S | S | * | . | trans | -86.4 | 107.2 | -179 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | G602 | G602-V604 PolarHBondContact O-N 2.91Š| ||
| 605 | C | 72 | Confident | 86.7 | Confident | 34 Ų | 34 | 48.3 Ų | 48.3 | 23% | 0.23 | 30% | 0.299 | C | S | . | . | trans | -147.6 | 171.4 | 177.9 | 72.1 | 0 | 0 | 0 | 0 | 111.4 | I578 E603 A647 N648 | I578-C605 WeakPolarHBondContact CD1-SG 3.44Å; E603-C605 PolarHBondContact O-N 2.74Å; C605-A647 HydrophobicContact CB-CB 4.48Å; C605-N648 WeakPolarHBondContact CB-OD1 3.49Å | ||
| 606 | S | 76.7 | Confident | 86 | Confident | 76 Ų | 76 | 53.2 Ų | 53.2 | 53% | 0.531 | 32% | 0.321 | S | S | . | . | trans | -77.4 | 123 | 162.9 | -172.1 | 0 | 0 | 0 | 0 | 109.6 | A647 N648 | S606-A647 WeakPolarHBondContact O-CA 3.42Å; S606-N648 PolarHBondContact N-OD1 2.57Å; S606-N648 PolarHBondContact O-N 3.21Å | ||
| 607 | L | 83.6 | Confident | 85.4 | Confident | 48 Ų | 48 | 53.8 Ų | 53.8 | 25% | 0.251 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 133.1 | 175.1 | -77.5 | 175.9 | 0 | 0 | 0 | 111 | I578 T600 F609 V629 L646 | I578-L607 HydrophobicContact CD1-CD2 4.2Å; I578-L607 HydrophobicContact CG2-CD2 4.34Å; T600-L607 HydrophobicContact CG2-CD1 3.99Å; L607-F609 HydrophobicContact CB-CE2 4.49Å; L607-F609 HydrophobicContact CB-CZ 4.17Å; L607-F609 HydrophobicContact CD1-CZ 4.48Å; L607-V629 HydrophobicContact CD1-CG2 4.42Å; L607-L646 WeakPolarHBondContact CA-O 3.4Å |
| 608 | G | 89.7 | Confident | 84.8 | Confident | 20 Ų | 20 | 58.6 Ų | 58.6 | 21% | 0.206 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 153.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L646 | G608-L646 PolarHBondContact N-O 3.42Å; G608-L646 PolarHBondContact O-N 3.29Å |
| 609 | F | 91.3 | Very high | 84.4 | Confident | 57 Ų | 57 | 61.8 Ų | 61.8 | 25% | 0.25 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 133.8 | -178.4 | -48.2 | -75.1 | 0 | 0 | 0 | 110.5 | V598 L607 I631 H644 I645 | V598-F609 HydrophobicContact CG2-CE1 4.03Å; L607-F609 HydrophobicContact CB-CE2 4.49Å; L607-F609 HydrophobicContact CB-CZ 4.17Å; L607-F609 HydrophobicContact CD1-CZ 4.48Å; F609-I631 HydrophobicContact CD1-CD1 4.09Å; F609-I631 HydrophobicContact CD1-CG1 4.26Å; F609-I631 HydrophobicContact CD2-CD1 3.94Å; F609-I631 HydrophobicContact CE1-CD1 3.91Å; F609-I631 HydrophobicContact CE1-CG1 4.1Å; F609-I631 HydrophobicContact CE2-CD1 3.74Å; F609-I631 HydrophobicContact CG-CD1 4.11Å; F609-I631 HydrophobicContact CZ-CD1 3.73Å; F609-I631 HydrophobicContact CZ-CG1 4.36Å; F609-H644 WeakPolarHBondContact CA-O 3.29Å; F609-I645 HydrophobicContact CD1-CG1 4.35Å; F609-I645 HydrophobicContact CD1-CG2 4.25Å; F609-I645 HydrophobicContact CE1-CG2 4.03Å |
| 610 | S | 90.6 | Very high | 84.1 | Confident | 35 Ų | 35 | 66.1 Ų | 66.1 | 25% | 0.245 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 157.1 | 167 | 81.1 | 0 | 0 | 0 | 0 | 111.1 | H644 | S610-H644 PolarHBondContact N-O 3.02Å; S610-H644 VanDerWaalsContact N-O 3.15Å; S610-H644 PolarHBondContact O-N 3.36Å; S610-H644 WeakPolarHBondContact OG-CB 3.45Å |
| 611 | V | 91 | Very high | 83.7 | Confident | 20 Ų | 20 | 68.6 Ų | 68.6 | 12% | 0.121 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 107.6 | 178.9 | 177 | 0 | 0 | 0 | 0 | 108.2 | A617 I619 Y633 Y641 A642 V643 | V611-A617 HydrophobicContact CB-CB 4.04Å; V611-A617 HydrophobicContact CG1-CB 3.54Å; V611-I619 HydrophobicContact CB-CD1 4.02Å; V611-I619 HydrophobicContact CB-CG1 4.25Å; V611-I619 HydrophobicContact CG2-CD1 3.68Å; V611-I619 HydrophobicContact CG2-CG1 3.85Å; V611-Y633 HydrophobicContact CG1-CD2 3.95Å; V611-Y633 HydrophobicContact CG1-CE2 3.98Å; V611-Y633 HydrophobicContact CG1-CG 4.49Å; V611-Y633 HydrophobicContact CG2-CD1 4.34Å; V611-Y633 HydrophobicContact CG2-CD2 4.41Å; V611-Y633 HydrophobicContact CG2-CG 4.14Å; V611-Y641 HydrophobicContact CG1-CD1 3.57Å; V611-Y641 HydrophobicContact CG1-CE1 4.16Å; V611-Y641 HydrophobicContact CG1-CG 4.46Å; V611-A642 WeakPolarHBondContact CA-O 3.02Å; V611-V643 HydrophobicContact CG1-CG2 4.39Å; V611-V643 HydrophobicContact CG2-CB 4.49Å; V611-V643 HydrophobicContact CG2-CG1 4.16Å; V611-V643 HydrophobicContact CG2-CG2 4.15Å |
| 612 | E | 86.3 | Confident | 83.6 | Confident | 109 Ų | 109 | 70.2 Ų | 70.2 | 51% | 0.509 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 143 | -176.9 | -54.4 | -165 | -178.4 | 0 | 0 | 110.4 | Y641 A642 | E612-Y641 CarbonylContact O-C 3.58Å; E612-Y641 VanDerWaalsContact O-CA 3.29Å; E612-Y641 WeakPolarHBondContact O-CA 3.38Å; E612-Y641 WeakPolarHBondContact O-CD1 3.46Å; E612-A642 HydrophobicContact CB-CB 4.46Å; E612-A642 PolarHBondContact N-O 2.91Å; E612-A642 PolarHBondContact O-N 2.62Å |
| 613 | G | 86.2 | Confident | 83.8 | Confident | 44 Ų | 44 | 72.1 Ų | 72.1 | 45% | 0.454 | 41% | 0.41 | S | S | . | . | S | Bend | trans | 170.7 | -165.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D615 | G613-D615 VanDerWaalsContact C-N 3.26Å; G613-D615 PolarHBondContact O-N 3.31Å |
| 614 | P | 81.4 | Confident | 84 | Confident | 81 Ų | 81 | 70.1 Ų | 70.1 | 53% | 0.526 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -61.8 | -26 | -173.7 | -24.4 | 33.8 | 0 | 0 | 0 | 115.5 | A637 | P614-A637 HydrophobicContact CB-CB 4.01Š|
| 615 | D | 84.2 | Confident | 84.1 | Confident | 80 Ų | 80 | 69.2 Ų | 69.2 | 43% | 0.428 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -147.2 | 159.3 | 169.3 | -170.1 | 12.7 | 0 | 0 | 0 | 109.3 | G613 A617 K636 A637 Y641 | G613-D615 VanDerWaalsContact C-N 3.26Å; G613-D615 PolarHBondContact O-N 3.31Å; D615-A617 PolarHBondContact O-N 2.61Å; D615-K636 HydrophobicContact CB-CB 4.36Å; D615-K636 WeakPolarHBondContact OD2-CB 3.38Å; D615-A637 HydrophobicContact CB-CB 3.74Å; D615-Y641 WeakPolarHBondContact O-CE1 3.47Å; D615-Y641 VanDerWaalsContact O-CZ 3.28Å; D615-Y641 PolarHBondContact O-OH 2.81Å |
| 616 | K | 78.8 | Confident | 84.4 | Confident | 145 Ų | 145 | 70.4 Ų | 70.4 | 63% | 0.63 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 133.9 | 178.7 | -67.1 | -177.9 | -179.1 | 178.5 | 0 | 111 | K636 | K616-K636 WeakPolarHBondContact O-CG 3.48Š|
| 617 | A | 81.7 | Confident | 84.7 | Confident | 15 Ų | 15 | 68.5 Ų | 68.5 | 12% | 0.124 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -91.8 | 141 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V611 D615 Y633 V634 Y641 | V611-A617 HydrophobicContact CB-CB 4.04Å; V611-A617 HydrophobicContact CG1-CB 3.54Å; D615-A617 PolarHBondContact O-N 2.61Å; A617-Y633 HydrophobicContact CB-CD2 3.76Å; A617-V634 WeakPolarHBondContact CA-O 3.38Å; A617-Y641 HydrophobicContact CB-CE1 4.29Å |
| 618 | E | 81.7 | Confident | 85 | Confident | 102 Ų | 102 | 66.2 Ų | 66.2 | 48% | 0.477 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 119.4 | 167.1 | -68.9 | 161.1 | 168.6 | 0 | 0 | 108 | Y633 V634 K636 | E618-Y633 CarbonylContact O-C 3.38Å; E618-Y633 WeakPolarHBondContact O-CA 3.43Å; E618-Y633 WeakPolarHBondContact O-CB 3.39Å; E618-V634 PolarHBondContact N-O 2.95Å; E618-V634 PolarHBondContact O-N 2.89Å; E618-K636 VanDerWaalsContact CD-CE 3.41Å; E618-K636 VanDerWaalsContact CD-NZ 3.26Å; E618-K636 IonicContact OE1-NZ 2.81Å; E618-K636 PolarHBondContact OE1-NZ 3.42Å; E618-K636 WeakPolarHBondContact OE2-CE 3.26Å; E618-K636 IonicContact OE2-NZ 2.71Å; E618-K636 PolarHBondContact OE2-NZ 2.94Å |
| 619 | I | 88.5 | Confident | 85 | Confident | 67 Ų | 67 | 66.1 Ų | 66.1 | 34% | 0.344 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 132.5 | 177.1 | -50.2 | 171 | 0 | 0 | 0 | 108.8 | V611 I631 | V611-I619 HydrophobicContact CB-CD1 4.02Å; V611-I619 HydrophobicContact CB-CG1 4.25Å; V611-I619 HydrophobicContact CG2-CD1 3.68Å; V611-I619 HydrophobicContact CG2-CG1 3.85Å; I619-I631 HydrophobicContact CG2-CG2 3.96Å |
| 620 | N | 86.5 | Confident | 85.1 | Confident | 102 Ų | 102 | 64.5 Ų | 64.5 | 55% | 0.545 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 119 | 174.4 | 170.5 | 55.7 | 0 | 0 | 0 | 109.2 | S632 | N620-S632 PolarHBondContact N-O 2.78Å; N620-S632 PolarHBondContact ND2-OG 2.9Å; N620-S632 PolarHBondContact O-N 2.67Å; N620-S632 PolarHBondContact O-OG 2.88Å |
| 621 | C | 82.9 | Confident | 85.2 | Confident | 76 Ų | 76 | 63 Ų | 63 | 51% | 0.514 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 133.5 | -180 | 51.3 | 0 | 0 | 0 | 0 | 111 | V629 I631 | C621-V629 HydrophobicContact CB-CG1 3.98Å; C621-I631 HydrophobicContact CB-CD1 3.52Å |
| 622 | N | 85.1 | Confident | 85.2 | Confident | 88 Ų | 88 | 63.2 Ų | 63.2 | 47% | 0.471 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 101.2 | 175.3 | -175.8 | 88.8 | 0 | 0 | 0 | 108.5 | N624 V629 D630 | N622-N624 PolarHBondContact ND2-OD1 2.85Å; N622-N624 PolarHBondContact O-N 3.07Å; N622-N624 PolarHBondContact O-ND2 3.1Å; N622-V629 WeakPolarHBondContact O-CA 3.46Å; N622-D630 HydrophobicContact CB-CB 4.47Å; N622-D630 PolarHBondContact N-O 2.83Å; N622-D630 PolarHBondContact O-N 3.37Å |
| 623 | D | 83.9 | Confident | 85.6 | Confident | 103 Ų | 103 | 58 Ų | 58 | 55% | 0.551 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 128.4 | 168 | 179.8 | 7.5 | 0 | 0 | 0 | 109 | T625 | D623-T625 PolarHBondContact OD1-N 2.89Å |
| 624 | N | 85.2 | Confident | 85.8 | Confident | 22 Ų | 22 | 57.4 Ų | 57.4 | 12% | 0.118 | 32% | 0.324 | C | S | . | . | trans | -95.6 | 0.9 | -177.2 | -56 | -82.3 | 0 | 0 | 0 | 112.2 | N622 D626 S628 D630 R758 | N622-N624 PolarHBondContact ND2-OD1 2.85Å; N622-N624 PolarHBondContact O-N 3.07Å; N622-N624 PolarHBondContact O-ND2 3.1Å; N624-D626 WeakPolarHBondContact CB-OD1 3.45Å; N624-D626 PolarHBondContact O-N 3.4Å; N624-D626 VanDerWaalsContact O-N 3.16Å; N624-S628 WeakPolarHBondContact CB-O 3.44Å; N624-S628 PolarHBondContact N-O 2.77Å; N624-S628 PolarHBondContact ND2-O 2.63Å; N624-D630 PolarHBondContact ND2-N 3.35Å; N624-D630 VanDerWaalsContact ND2-N 3.19Å; N624-R758 VanDerWaalsContact CG-CZ 3.41Å; N624-R758 PolarHBondContact ND2-NH2 2.69Å; N624-R758 PolarHBondContact OD1-NE 2.89Å | ||
| 625 | T | 77.9 | Confident | 86.2 | Confident | 129 Ų | 129 | 53.5 Ų | 53.5 | 79% | 0.791 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 61.4 | 14.3 | 179 | 65.9 | 0 | 0 | 0 | 0 | 115 | D623 | D623-T625 PolarHBondContact OD1-N 2.89Š|
| 626 | D | 80.3 | Confident | 86.4 | Confident | 59 Ų | 59 | 52.9 Ų | 52.9 | 32% | 0.316 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -110.8 | 8.8 | -179.5 | 60.6 | 8.8 | 0 | 0 | 0 | 113.2 | N624 S628 R758 Y760 | N624-D626 WeakPolarHBondContact CB-OD1 3.45Å; N624-D626 PolarHBondContact O-N 3.4Å; N624-D626 VanDerWaalsContact O-N 3.16Å; D626-S628 WeakPolarHBondContact OD1-CB 3.5Å; D626-S628 PolarHBondContact OD1-N 2.99Å; D626-S628 VanDerWaalsContact OD1-N 3.13Å; D626-S628 PolarHBondContact OD1-OG 3.19Å; D626-R758 IonicContact OD1-NH1 2.74Å; D626-R758 IonicContact OD2-NH1 2.81Å; D626-R758 PolarHBondContact OD2-NH1 2.82Å; D626-Y760 HydrophobicContact CB-CE1 4.34Å; D626-Y760 WeakPolarHBondContact OD2-CE1 3.49Å; D626-Y760 PolarHBondContact OD2-OH 3.24Å |
| 627 | G | 82.2 | Confident | 86.7 | Confident | 36 Ų | 36 | 47.1 Ų | 47.1 | 37% | 0.371 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 94.2 | 12.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.2 | T600 | T600-G627 WeakPolarHBondContact CB-O 3.45Å; T600-G627 VanDerWaalsContact CG2-O 3.32Å; T600-G627 WeakPolarHBondContact CG2-O 3.39Å; T600-G627 PolarHBondContact N-O 2.81Å; T600-G627 PolarHBondContact OG1-O 2.94Å |
| 628 | S | 89.7 | Confident | 86.8 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 153.3 | -177.5 | 75.6 | 0 | 0 | 0 | 0 | 114 | V598 E599 N624 D626 R758 | V598-S628 CarbonylContact O-C 3.54Å; V598-S628 WeakPolarHBondContact O-CA 3.31Å; V598-S628 VanDerWaalsContact O-CB 3.28Å; V598-S628 WeakPolarHBondContact O-CB 3.42Å; E599-S628 VanDerWaalsContact CD-CB 3.4Å; E599-S628 VanDerWaalsContact OE2-CB 3.32Å; E599-S628 WeakPolarHBondContact OE2-CB 3.41Å; N624-S628 WeakPolarHBondContact CB-O 3.44Å; N624-S628 PolarHBondContact N-O 2.77Å; N624-S628 PolarHBondContact ND2-O 2.63Å; D626-S628 WeakPolarHBondContact OD1-CB 3.5Å; D626-S628 PolarHBondContact OD1-N 2.99Å; D626-S628 VanDerWaalsContact OD1-N 3.13Å; D626-S628 PolarHBondContact OD1-OG 3.19Å; S628-R758 VanDerWaalsContact OG-CZ 3.23Å; S628-R758 PolarHBondContact OG-NH1 2.82Å; S628-R758 PolarHBondContact OG-NH2 2.75Å |
| 629 | V | 90.6 | Very high | 86.9 | Confident | 19 Ų | 19 | 46.3 Ų | 46.3 | 12% | 0.115 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 131.4 | -174.1 | -169.9 | 0 | 0 | 0 | 0 | 109.8 | T597 V598 L607 C621 N622 I631 | T597-V629 WeakPolarHBondContact CA-O 3.42Å; V598-V629 PolarHBondContact N-O 2.86Å; V598-V629 PolarHBondContact O-N 3.43Å; L607-V629 HydrophobicContact CD1-CG2 4.42Å; C621-V629 HydrophobicContact CB-CG1 3.98Å; N622-V629 WeakPolarHBondContact O-CA 3.46Å; V629-I631 HydrophobicContact CB-CD1 4.36Å; V629-I631 HydrophobicContact CG1-CD1 3.57Å; V629-I631 HydrophobicContact CG1-CG1 4.47Å |
| 630 | D | 92.4 | Very high | 86.9 | Confident | 23 Ų | 23 | 44.3 Ų | 44.3 | 12% | 0.123 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 120.7 | 169.7 | -75.2 | -13.9 | 0 | 0 | 0 | 109.4 | T597 N622 N624 P756 R758 | T597-D630 WeakPolarHBondContact CB-OD1 3.42Å; T597-D630 WeakPolarHBondContact CG2-OD1 3.41Å; T597-D630 PolarHBondContact OG1-OD1 2.91Å; N622-D630 HydrophobicContact CB-CB 4.47Å; N622-D630 PolarHBondContact N-O 2.83Å; N622-D630 PolarHBondContact O-N 3.37Å; N624-D630 PolarHBondContact ND2-N 3.35Å; N624-D630 VanDerWaalsContact ND2-N 3.19Å; D630-P756 WeakPolarHBondContact OD2-CG 3.49Å; D630-R758 VanDerWaalsContact CG-NE 3.31Å; D630-R758 IonicContact OD1-CZ 3.83Å; D630-R758 IonicContact OD1-NE 2.79Å; D630-R758 PolarHBondContact OD1-NE 3.01Å; D630-R758 IonicContact OD1-NH2 3.79Å; D630-R758 PolarHBondContact OD1-NH2 2.84Å; D630-R758 IonicContact OD2-CZ 2.86Å; D630-R758 IonicContact OD2-NE 3.29Å; D630-R758 PolarHBondContact OD2-NE 3.1Å; D630-R758 IonicContact OD2-NH2 3.13Å |
| 631 | I | 93.1 | Very high | 87.1 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 134.9 | 179.6 | -50.9 | -62.7 | 0 | 0 | 0 | 109 | K595 F596 V598 F609 I619 C621 V629 | K595-I631 CarbonylContact C-O 3.59Å; K595-I631 WeakPolarHBondContact CA-O 3.27Å; F596-I631 HydrophobicContact CD1-CB 4.13Å; F596-I631 HydrophobicContact CD1-CG2 4.31Å; F596-I631 HydrophobicContact CD2-CB 3.98Å; F596-I631 HydrophobicContact CD2-CG1 4.2Å; F596-I631 HydrophobicContact CE1-CB 3.77Å; F596-I631 HydrophobicContact CE1-CG2 3.55Å; F596-I631 HydrophobicContact CE2-CB 3.59Å; F596-I631 HydrophobicContact CE2-CG1 3.59Å; F596-I631 HydrophobicContact CE2-CG2 4.07Å; F596-I631 HydrophobicContact CG-CB 4.24Å; F596-I631 HydrophobicContact CZ-CB 3.49Å; F596-I631 VanDerWaalsContact CZ-CB 3.49Å; F596-I631 HydrophobicContact CZ-CG1 3.84Å; F596-I631 HydrophobicContact CZ-CG2 3.42Å; F596-I631 VanDerWaalsContact CZ-CG2 3.42Å; F596-I631 PolarHBondContact N-O 2.75Å; F596-I631 PolarHBondContact O-N 2.81Å; V598-I631 HydrophobicContact CG2-CG1 4.24Å; F609-I631 HydrophobicContact CD1-CD1 4.09Å; F609-I631 HydrophobicContact CD1-CG1 4.26Å; F609-I631 HydrophobicContact CD2-CD1 3.94Å; F609-I631 HydrophobicContact CE1-CD1 3.91Å; F609-I631 HydrophobicContact CE1-CG1 4.1Å; F609-I631 HydrophobicContact CE2-CD1 3.74Å; F609-I631 HydrophobicContact CG-CD1 4.11Å; F609-I631 HydrophobicContact CZ-CD1 3.73Å; F609-I631 HydrophobicContact CZ-CG1 4.36Å; I619-I631 HydrophobicContact CG2-CG2 3.96Å; C621-I631 HydrophobicContact CB-CD1 3.52Å; V629-I631 HydrophobicContact CB-CD1 4.36Å; V629-I631 HydrophobicContact CG1-CD1 3.57Å; V629-I631 HydrophobicContact CG1-CG1 4.47Å |
| 632 | S | 91.5 | Very high | 87.6 | Confident | 23 Ų | 23 | 35.9 Ų | 35.9 | 16% | 0.161 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 134.6 | 168.9 | 57.2 | 0 | 0 | 0 | 0 | 108.8 | C594 N620 | C594-S632 WeakPolarHBondContact O-CA 3.49Å; N620-S632 PolarHBondContact N-O 2.78Å; N620-S632 PolarHBondContact ND2-OG 2.9Å; N620-S632 PolarHBondContact O-N 2.67Å; N620-S632 PolarHBondContact O-OG 2.88Å |
| 633 | Y | 93.2 | Very high | 88 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 149.5 | 172.4 | 75.1 | -90.3 | 0 | 0 | 0 | 112.6 | G584 P593 C594 F596 V611 A617 E618 P635 V643 V659 | G584-Y633 WeakPolarHBondContact O-CE1 3.45Å; G584-Y633 PolarHBondContact O-OH 2.99Å; P593-Y633 WeakPolarHBondContact CA-O 3.49Å; C594-Y633 HydrophobicContact CB-CD1 3.88Å; C594-Y633 HydrophobicContact CB-CD2 4.22Å; C594-Y633 HydrophobicContact CB-CE1 3.56Å; C594-Y633 HydrophobicContact CB-CE2 3.95Å; C594-Y633 HydrophobicContact CB-CG 4.21Å; C594-Y633 PolarHBondContact N-O 2.81Å; C594-Y633 PolarHBondContact O-N 2.82Å; F596-Y633 HydrophobicContact CD1-CD1 4.47Å; F596-Y633 HydrophobicContact CD1-CE1 4.45Å; F596-Y633 HydrophobicContact CE1-CD1 4Å; F596-Y633 HydrophobicContact CE1-CE1 4.15Å; V611-Y633 HydrophobicContact CG1-CD2 3.95Å; V611-Y633 HydrophobicContact CG1-CE2 3.98Å; V611-Y633 HydrophobicContact CG1-CG 4.49Å; V611-Y633 HydrophobicContact CG2-CD1 4.34Å; V611-Y633 HydrophobicContact CG2-CD2 4.41Å; V611-Y633 HydrophobicContact CG2-CG 4.14Å; A617-Y633 HydrophobicContact CB-CD2 3.76Å; E618-Y633 CarbonylContact O-C 3.38Å; E618-Y633 WeakPolarHBondContact O-CA 3.43Å; E618-Y633 WeakPolarHBondContact O-CB 3.39Å; Y633-P635 HydrophobicContact CD2-CB 4.5Å; Y633-P635 HydrophobicContact CD2-CG 4.39Å; Y633-P635 HydrophobicContact CE2-CB 4.25Å; Y633-P635 HydrophobicContact CE2-CG 4.09Å; Y633-V643 HydrophobicContact CE1-CG2 3.74Å; Y633-V659 WeakPolarHBondContact OH-CB 3.45Å; Y633-V659 WeakPolarHBondContact OH-CG1 3.37Å; Y633-V659 WeakPolarHBondContact OH-CG2 3.43Å |
| 634 | V | 91.1 | Very high | 88.5 | Confident | 31 Ų | 31 | 27.3 Ų | 27.3 | 19% | 0.188 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 99.1 | -178.1 | -174.4 | 0 | 0 | 0 | 0 | 109.5 | P593 A617 E618 K636 | P593-V634 HydrophobicContact CB-CG2 4.41Å; A617-V634 WeakPolarHBondContact CA-O 3.38Å; E618-V634 PolarHBondContact N-O 2.95Å; E618-V634 PolarHBondContact O-N 2.89Å; V634-K636 HydrophobicContact CG1-CD 4.49Å |
| 635 | P | 89.8 | Confident | 89 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -75.9 | 137.5 | 175.4 | 31.2 | -31.9 | 0 | 0 | 0 | 110.7 | D591 Y633 Y641 I661 | D591-P635 PolarHBondContact N-O 2.87Å; Y633-P635 HydrophobicContact CD2-CB 4.5Å; Y633-P635 HydrophobicContact CD2-CG 4.39Å; Y633-P635 HydrophobicContact CE2-CB 4.25Å; Y633-P635 HydrophobicContact CE2-CG 4.09Å; P635-Y641 HydrophobicContact CB-CD2 4.27Å; P635-Y641 HydrophobicContact CB-CE1 4.22Å; P635-Y641 HydrophobicContact CB-CE2 3.66Å; P635-I661 HydrophobicContact CB-CD1 4.4Å; P635-I661 HydrophobicContact CB-CG1 3.98Å; P635-I661 HydrophobicContact CB-CG2 3.98Å; P635-I661 HydrophobicContact CG-CB 4.38Å; P635-I661 HydrophobicContact CG-CD1 3.75Å; P635-I661 HydrophobicContact CG-CG1 3.83Å; P635-I661 HydrophobicContact CG-CG2 3.64Å | ||
| 636 | K | 88 | Confident | 89.7 | Confident | 66 Ų | 66 | 21.8 Ų | 21.8 | 29% | 0.287 | 14% | 0.136 | S | C | . | . | trans | -100 | -12.5 | -172.7 | -55.8 | -62.5 | 177 | 172.1 | 0 | 114 | V590 D591 D615 K616 E618 V634 | V590-K636 WeakPolarHBondContact CG1-O 3.5Å; D591-K636 WeakPolarHBondContact OD1-CD 3.38Å; D591-K636 IonicContact OD1-NZ 2.86Å; D615-K636 HydrophobicContact CB-CB 4.36Å; D615-K636 WeakPolarHBondContact OD2-CB 3.38Å; K616-K636 WeakPolarHBondContact O-CG 3.48Å; E618-K636 VanDerWaalsContact CD-CE 3.41Å; E618-K636 VanDerWaalsContact CD-NZ 3.26Å; E618-K636 IonicContact OE1-NZ 2.81Å; E618-K636 PolarHBondContact OE1-NZ 3.42Å; E618-K636 WeakPolarHBondContact OE2-CE 3.26Å; E618-K636 IonicContact OE2-NZ 2.71Å; E618-K636 PolarHBondContact OE2-NZ 2.94Å; V634-K636 HydrophobicContact CG1-CD 4.49Å | ||
| 637 | A | 85.3 | Confident | 89.8 | Confident | 25 Ų | 25 | 19.3 Ų | 19.3 | 21% | 0.207 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -128.7 | 156.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P614 D615 | P614-A637 HydrophobicContact CB-CB 4.01Å; D615-A637 HydrophobicContact CB-CB 3.74Å |
| 638 | V | 83.7 | Confident | 89.9 | Confident | 74 Ų | 74 | 22.6 Ų | 22.6 | 45% | 0.448 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -73.7 | 138.2 | 170.3 | 178 | 0 | 0 | 0 | 0 | 109.3 | V590 N663 | V590-V638 HydrophobicContact CG2-CB 4.43Å; V590-V638 HydrophobicContact CG2-CG2 3.65Å; V638-N663 HydrophobicContact CG2-CB 4.39Å; V638-N663 VanDerWaalsContact CG2-CG 3.49Å; V638-N663 VanDerWaalsContact CG2-OD1 3.23Å; V638-N663 WeakPolarHBondContact CG2-OD1 3.26Å |
| 639 | G | 85.2 | Confident | 89.5 | Confident | 25 Ų | 25 | 29.1 Ų | 29.1 | 26% | 0.258 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 145.9 | -170.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | I661 | G639-I661 PolarHBondContact N-O 3.15Å; G639-I661 WeakPolarHBondContact O-CA 3.4Å; G639-I661 WeakPolarHBondContact O-CB 3.42Å; G639-I661 PolarHBondContact O-N 3.02Å |
| 640 | E | 87.4 | Confident | 89.4 | Confident | 25 Ų | 25 | 30.8 Ų | 30.8 | 12% | 0.117 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 131.1 | 179.6 | -154.1 | -166.6 | 79.1 | 0 | 0 | 110.1 | V480 G481 R499 M658 V659 | V480-E640 HydrophobicContact CB-CB 4.15Å; V480-E640 HydrophobicContact CG1-CB 4.43Å; V480-E640 HydrophobicContact CG2-CB 4.37Å; G481-E640 WeakPolarHBondContact CA-OE1 3.34Å; G481-E640 PolarHBondContact N-OE1 2.84Å; R499-E640 IonicContact CZ-OE2 3.97Å; R499-E640 IonicContact NE-OE2 2.71Å; R499-E640 IonicContact NH2-OE2 2.65Å; R499-E640 PolarHBondContact NH2-OE2 2.79Å; E640-M658 HydrophobicContact CG-CB 4.41Å; E640-M658 HydrophobicContact CG-CE 4.25Å; E640-M658 WeakPolarHBondContact OE1-CE 3.44Å; E640-V659 WeakPolarHBondContact CA-O 3.26Å |
| 641 | Y | 90.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 140.1 | -178.8 | -85.5 | -99.5 | 0 | 0 | 0 | 111.4 | V611 E612 D615 A617 P635 M658 V659 I661 | V611-Y641 HydrophobicContact CG1-CD1 3.57Å; V611-Y641 HydrophobicContact CG1-CE1 4.16Å; V611-Y641 HydrophobicContact CG1-CG 4.46Å; E612-Y641 CarbonylContact O-C 3.58Å; E612-Y641 VanDerWaalsContact O-CA 3.29Å; E612-Y641 WeakPolarHBondContact O-CA 3.38Å; E612-Y641 WeakPolarHBondContact O-CD1 3.46Å; D615-Y641 WeakPolarHBondContact O-CE1 3.47Å; D615-Y641 VanDerWaalsContact O-CZ 3.28Å; D615-Y641 PolarHBondContact O-OH 2.81Å; A617-Y641 HydrophobicContact CB-CE1 4.29Å; P635-Y641 HydrophobicContact CB-CD2 4.27Å; P635-Y641 HydrophobicContact CB-CE1 4.22Å; P635-Y641 HydrophobicContact CB-CE2 3.66Å; Y641-M658 CarbonylContact O-C 3.43Å; Y641-M658 VanDerWaalsContact O-CA 3.3Å; Y641-M658 WeakPolarHBondContact O-CA 3.48Å; Y641-V659 PolarHBondContact N-O 2.99Å; Y641-V659 PolarHBondContact O-N 2.85Å; Y641-I661 HydrophobicContact CD2-CB 4.11Å; Y641-I661 HydrophobicContact CD2-CG1 3.39Å; Y641-I661 HydrophobicContact CE2-CB 4.25Å; Y641-I661 HydrophobicContact CE2-CG1 3.87Å; Y641-I661 HydrophobicContact CG-CG1 4.23Å |
| 642 | A | 92.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 114.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110 | V611 E612 P656 M658 | V611-A642 WeakPolarHBondContact CA-O 3.02Å; E612-A642 HydrophobicContact CB-CB 4.46Å; E612-A642 PolarHBondContact N-O 2.91Å; E612-A642 PolarHBondContact O-N 2.62Å; A642-P656 HydrophobicContact CB-CB 4.05Å; A642-P656 HydrophobicContact CB-CG 4.49Å; A642-M658 HydrophobicContact CB-CE 3.87Å; A642-M658 HydrophobicContact CB-SD 3.76Å |
| 643 | V | 94.6 | Very high | 89 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 107 | 174.1 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | L585 F596 V611 Y633 P656 F657 V659 | L585-V643 HydrophobicContact CD2-CB 4.14Å; L585-V643 HydrophobicContact CD2-CG1 3.73Å; F596-V643 HydrophobicContact CE1-CG1 3.83Å; F596-V643 HydrophobicContact CZ-CG1 3.75Å; V611-V643 HydrophobicContact CG1-CG2 4.39Å; V611-V643 HydrophobicContact CG2-CB 4.49Å; V611-V643 HydrophobicContact CG2-CG1 4.16Å; V611-V643 HydrophobicContact CG2-CG2 4.15Å; Y633-V643 HydrophobicContact CE1-CG2 3.74Å; V643-P656 CarbonylContact O-C 3.5Å; V643-P656 VanDerWaalsContact O-CA 3.28Å; V643-P656 WeakPolarHBondContact O-CA 3.37Å; V643-F657 HydrophobicContact CB-CB 4.4Å; V643-F657 PolarHBondContact N-O 3.13Å; V643-F657 PolarHBondContact O-N 2.58Å; V643-V659 HydrophobicContact CG2-CG2 3.76Å |
| 644 | H | 94.3 | Very high | 88.7 | Confident | 10 Ų | 10 | 35.6 Ų | 35.6 | 5% | 0.046 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 136.4 | 176.2 | -68.1 | -96 | 0 | 0 | 0 | 111 | S487 F609 S610 L646 D651 S655 | S487-H644 PolarHBondContact OG-CE1 3.01Å; F609-H644 WeakPolarHBondContact CA-O 3.29Å; S610-H644 PolarHBondContact N-O 3.02Å; S610-H644 VanDerWaalsContact N-O 3.15Å; S610-H644 PolarHBondContact O-N 3.36Å; S610-H644 WeakPolarHBondContact OG-CB 3.45Å; H644-L646 HydrophobicContact CB-CD2 4.2Å; H644-D651 IonicContact CE1-OD1 3.15Å; H644-D651 IonicContact CE1-OD2 2.69Å; H644-D651 IonicContact CG-OD1 2.65Å; H644-D651 IonicContact ND1-OD1 3.74Å; H644-D651 PolarHBondContact ND1-OD1 3.1Å; H644-D651 IonicContact ND1-OD2 2.88Å; H644-D651 PolarHBondContact ND1-OD2 3.44Å; H644-S655 WeakPolarHBondContact CA-OG 3.26Å |
| 645 | I | 94.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 113.2 | 173.2 | -56.6 | 176.1 | 0 | 0 | 0 | 106.4 | A580 L585 F596 V598 F609 I652 S655 F657 | A580-I645 HydrophobicContact CB-CD1 3.28Å; L585-I645 HydrophobicContact CD1-CD1 4.37Å; L585-I645 HydrophobicContact CD2-CD1 4.22Å; F596-I645 HydrophobicContact CD2-CD1 4.25Å; F596-I645 HydrophobicContact CE2-CD1 3.48Å; F596-I645 VanDerWaalsContact CE2-CD1 3.48Å; F596-I645 HydrophobicContact CE2-CG1 4.23Å; F596-I645 HydrophobicContact CZ-CD1 4.02Å; F596-I645 HydrophobicContact CZ-CG1 4.41Å; V598-I645 HydrophobicContact CG1-CG2 4.23Å; V598-I645 HydrophobicContact CG2-CD1 4.03Å; V598-I645 HydrophobicContact CG2-CG2 4.31Å; F609-I645 HydrophobicContact CD1-CG1 4.35Å; F609-I645 HydrophobicContact CD1-CG2 4.25Å; F609-I645 HydrophobicContact CE1-CG2 4.03Å; I645-I652 HydrophobicContact CB-CD1 3.95Å; I645-I652 HydrophobicContact CB-CG1 4.02Å; I645-I652 HydrophobicContact CG2-CD1 3.6Å; I645-I652 HydrophobicContact CG2-CG1 4.06Å; I645-I652 PolarHBondContact O-N 2.74Å; I645-S655 PolarHBondContact N-OG 3.49Å; I645-S655 PolarHBondContact O-OG 3.44Å; I645-F657 HydrophobicContact CD1-CD2 4.04Å; I645-F657 HydrophobicContact CD1-CE2 3.83Å; I645-F657 HydrophobicContact CG1-CE2 4.43Å |
| 646 | L | 92.4 | Very high | 88.9 | Confident | 36 Ų | 36 | 34.1 Ų | 34.1 | 19% | 0.188 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 137.2 | -167.2 | -53.5 | 178.3 | 0 | 0 | 0 | 110.3 | L607 G608 H644 E650 D651 | L607-L646 WeakPolarHBondContact CA-O 3.4Å; G608-L646 PolarHBondContact N-O 3.42Å; G608-L646 PolarHBondContact O-N 3.29Å; H644-L646 HydrophobicContact CB-CD2 4.2Å; L646-E650 WeakPolarHBondContact CA-O 3.45Å; L646-D651 HydrophobicContact CD2-CB 4.5Å |
| 647 | A | 84.4 | Confident | 89.2 | Confident | 7 Ų | 7 | 32.6 Ų | 32.6 | 6% | 0.058 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 113.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | I578 C605 S606 D649 E650 I652 | I578-A647 HydrophobicContact CD1-CB 3.52Å; C605-A647 HydrophobicContact CB-CB 4.48Å; S606-A647 WeakPolarHBondContact O-CA 3.42Å; A647-D649 VanDerWaalsContact C-N 3.34Å; A647-D649 PolarHBondContact O-N 3.19Å; A647-E650 PolarHBondContact N-O 2.93Å; A647-E650 PolarHBondContact O-N 2.82Å; A647-I652 HydrophobicContact CB-CG2 3.72Å |
| 648 | N | 83.5 | Confident | 89.5 | Confident | 104 Ų | 104 | 33.4 Ų | 33.4 | 56% | 0.556 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 51.4 | -170.5 | -54.8 | -36.7 | 0 | 0 | 0 | 112.1 | C605 S606 E650 | C605-N648 WeakPolarHBondContact CB-OD1 3.49Å; S606-N648 PolarHBondContact N-OD1 2.57Å; S606-N648 PolarHBondContact O-N 3.21Å; N648-E650 PolarHBondContact O-N 2.84Å; N648-E650 VanDerWaalsContact O-N 3.1Å |
| 649 | D | 82.1 | Confident | 89.9 | Confident | 138 Ų | 138 | 29.9 Ų | 29.9 | 74% | 0.738 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 10.2 | -179.1 | -53.8 | -36.3 | 0 | 0 | 0 | 116.5 | A647 | A647-D649 VanDerWaalsContact C-N 3.34Å; A647-D649 PolarHBondContact O-N 3.19Å |
| 650 | E | 87.2 | Confident | 90 | Very high | 53 Ų | 53 | 30.7 Ų | 30.7 | 25% | 0.248 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134 | 169.6 | -76.9 | -141.5 | -167.2 | 0 | 0 | 112.3 | R490 L646 A647 N648 I652 R1692 | R490-E650 IonicContact CZ-OE2 2.75Å; R490-E650 VanDerWaalsContact CZ-OE2 3.25Å; R490-E650 IonicContact NH1-OE2 2.66Å; R490-E650 PolarHBondContact NH1-OE2 3.47Å; R490-E650 IonicContact NH2-OE2 2.63Å; R490-E650 PolarHBondContact NH2-OE2 3.42Å; L646-E650 WeakPolarHBondContact CA-O 3.45Å; A647-E650 PolarHBondContact N-O 2.93Å; A647-E650 PolarHBondContact O-N 2.82Å; N648-E650 PolarHBondContact O-N 2.84Å; N648-E650 VanDerWaalsContact O-N 3.1Å; E650-I652 PolarHBondContact O-N 2.85Å; E650-R1692 IonicContact OE1-NH2 2.8Å; E650-R1692 PolarHBondContact OE1-NH2 3.14Å |
| 651 | D | 90.4 | Very high | 90.2 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 3% | 0.027 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -48.9 | 123.1 | 172.2 | -80.6 | -72.7 | 0 | 0 | 0 | 112.3 | S487 G488 R490 M574 H644 L646 S655 | S487-D651 WeakPolarHBondContact CB-OD2 3.45Å; S487-D651 PolarHBondContact OG-OD2 3.45Å; G488-D651 VanDerWaalsContact CA-OD2 3.29Å; G488-D651 WeakPolarHBondContact CA-OD2 3.46Å; G488-D651 PolarHBondContact N-OD2 3.43Å; R490-D651 PolarHBondContact NH2-O 3.24Å; M574-D651 VanDerWaalsContact SD-O 3.32Å; H644-D651 IonicContact CE1-OD1 3.15Å; H644-D651 IonicContact CE1-OD2 2.69Å; H644-D651 IonicContact CG-OD1 2.65Å; H644-D651 IonicContact ND1-OD1 3.74Å; H644-D651 PolarHBondContact ND1-OD1 3.1Å; H644-D651 IonicContact ND1-OD2 2.88Å; H644-D651 PolarHBondContact ND1-OD2 3.44Å; L646-D651 HydrophobicContact CD2-CB 4.5Å; D651-S655 WeakPolarHBondContact OD1-CB 3.47Å; D651-S655 PolarHBondContact OD1-OG 3.48Å |
| 652 | I | 91.4 | Very high | 90 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -62.8 | 166.9 | 172 | 68.2 | 168.3 | 0 | 0 | 0 | 111.3 | I578 A580 I645 A647 E650 D654 S655 | I578-I652 HydrophobicContact CB-CG2 4.47Å; I578-I652 HydrophobicContact CD1-CG2 4.36Å; I578-I652 HydrophobicContact CG2-CD1 4.17Å; I578-I652 HydrophobicContact CG2-CG2 4.37Å; A580-I652 HydrophobicContact CB-CD1 4.05Å; I645-I652 HydrophobicContact CB-CD1 3.95Å; I645-I652 HydrophobicContact CB-CG1 4.02Å; I645-I652 HydrophobicContact CG2-CD1 3.6Å; I645-I652 HydrophobicContact CG2-CG1 4.06Å; I645-I652 PolarHBondContact O-N 2.74Å; A647-I652 HydrophobicContact CB-CG2 3.72Å; E650-I652 PolarHBondContact O-N 2.85Å; I652-D654 PolarHBondContact O-N 3.42Å; I652-S655 WeakPolarHBondContact O-CB 3.38Å; I652-S655 PolarHBondContact O-N 3.21Å |
| 653 | P | 87.9 | Confident | 89.5 | Confident | 36 Ų | 36 | 38 Ų | 38 | 23% | 0.234 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 142.8 | 172.8 | -29.1 | 37.8 | 0 | 0 | 0 | 112.9 | M574 S655 | M574-P653 HydrophobicContact CB-CG 4.45Å; M574-P653 HydrophobicContact CG-CG 4.35Å; P653-S655 PolarHBondContact O-N 2.91Å |
| 654 | D | 86.1 | Confident | 88.7 | Confident | 109 Ų | 109 | 40.8 Ų | 40.8 | 58% | 0.583 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | -18.2 | -170.4 | -58 | -54.2 | 0 | 0 | 0 | 116.8 | R482 I652 P656 F657 | R482-D654 PolarHBondContact NE-O 2.98Å; R482-D654 PolarHBondContact NH2-O 3.03Å; I652-D654 PolarHBondContact O-N 3.42Å; D654-P656 CarbonylContact O-C 3.55Å; D654-F657 HydrophobicContact CB-CE1 3.69Å; D654-F657 HydrophobicContact CB-CZ 3.85Å |
| 655 | S | 92.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 146 | 173 | -171.5 | 0 | 0 | 0 | 0 | 112.5 | R482 G488 H644 I645 D651 I652 P653 | R482-S655 PolarHBondContact NH2-O 3.31Å; G488-S655 CarbonylContact C-O 3.59Å; G488-S655 VanDerWaalsContact CA-O 3.3Å; G488-S655 WeakPolarHBondContact CA-O 3.22Å; H644-S655 WeakPolarHBondContact CA-OG 3.26Å; I645-S655 PolarHBondContact N-OG 3.49Å; I645-S655 PolarHBondContact O-OG 3.44Å; D651-S655 WeakPolarHBondContact OD1-CB 3.47Å; D651-S655 PolarHBondContact OD1-OG 3.48Å; I652-S655 WeakPolarHBondContact O-CB 3.38Å; I652-S655 PolarHBondContact O-N 3.21Å; P653-S655 PolarHBondContact O-N 2.91Å |
| 656 | P | 93.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.276 | C | S | . | . | S | Bend | cis | -70.1 | 144.2 | -11.3 | 28.7 | -34.3 | 0 | 0 | 0 | 112.3 | R482 Q485 A642 V643 D654 M658 | R482-P656 VanDerWaalsContact CD-O 3.23Å; R482-P656 WeakPolarHBondContact CD-O 3.27Å; R482-P656 HydrophobicContact CG-CG 4.45Å; R482-P656 PolarHBondContact NE-O 3.05Å; Q485-P656 HydrophobicContact CB-CG 4.18Å; Q485-P656 HydrophobicContact CG-CG 3.93Å; A642-P656 HydrophobicContact CB-CB 4.05Å; A642-P656 HydrophobicContact CB-CG 4.49Å; V643-P656 CarbonylContact O-C 3.5Å; V643-P656 VanDerWaalsContact O-CA 3.28Å; V643-P656 WeakPolarHBondContact O-CA 3.37Å; D654-P656 CarbonylContact O-C 3.55Å; P656-M658 HydrophobicContact CG-SD 4.48Å |
| 657 | F | 92.9 | Very high | 85.4 | Confident | 33 Ų | 33 | 51 Ų | 51 | 15% | 0.145 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 126.4 | 174 | -61.5 | -92.6 | 0 | 0 | 0 | 109.2 | A580 L585 V643 I645 D654 | A580-F657 HydrophobicContact CB-CE2 4.24Å; A580-F657 HydrophobicContact CB-CZ 4.25Å; L585-F657 HydrophobicContact CB-CB 4.11Å; L585-F657 HydrophobicContact CB-CD1 4.15Å; L585-F657 HydrophobicContact CB-CG 4.15Å; L585-F657 HydrophobicContact CD1-CD1 4.28Å; L585-F657 HydrophobicContact CD1-CD2 4.35Å; L585-F657 HydrophobicContact CD1-CE1 4.4Å; L585-F657 HydrophobicContact CD1-CE2 4.48Å; L585-F657 HydrophobicContact CD1-CG 4.27Å; L585-F657 HydrophobicContact CD2-CB 3.94Å; L585-F657 HydrophobicContact CD2-CD2 4.04Å; L585-F657 HydrophobicContact CD2-CG 3.97Å; L585-F657 HydrophobicContact CG-CG 4.35Å; V643-F657 HydrophobicContact CB-CB 4.4Å; V643-F657 PolarHBondContact N-O 3.13Å; V643-F657 PolarHBondContact O-N 2.58Å; I645-F657 HydrophobicContact CD1-CD2 4.04Å; I645-F657 HydrophobicContact CD1-CE2 3.83Å; I645-F657 HydrophobicContact CG1-CE2 4.43Å; D654-F657 HydrophobicContact CB-CE1 3.69Å; D654-F657 HydrophobicContact CB-CZ 3.85Å |
| 658 | M | 91.8 | Very high | 85 | Confident | 42 Ų | 42 | 51.4 Ų | 51.4 | 21% | 0.207 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 123.3 | -179 | -55.6 | -52.8 | -56.7 | 0 | 0 | 110.8 | R482 Q485 E640 Y641 A642 P656 | R482-M658 HydrophobicContact CB-CG 3.65Å; R482-M658 HydrophobicContact CB-SD 4.26Å; R482-M658 HydrophobicContact CG-CG 4.39Å; Q485-M658 HydrophobicContact CG-SD 4.15Å; E640-M658 HydrophobicContact CG-CB 4.41Å; E640-M658 HydrophobicContact CG-CE 4.25Å; E640-M658 WeakPolarHBondContact OE1-CE 3.44Å; Y641-M658 CarbonylContact O-C 3.43Å; Y641-M658 VanDerWaalsContact O-CA 3.3Å; Y641-M658 WeakPolarHBondContact O-CA 3.48Å; A642-M658 HydrophobicContact CB-CE 3.87Å; A642-M658 HydrophobicContact CB-SD 3.76Å; P656-M658 HydrophobicContact CG-SD 4.48Å |
| 659 | V | 91.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 117.3 | -168.7 | -166.5 | 0 | 0 | 0 | 0 | 110.7 | Y633 E640 Y641 V643 I661 | Y633-V659 WeakPolarHBondContact OH-CB 3.45Å; Y633-V659 WeakPolarHBondContact OH-CG1 3.37Å; Y633-V659 WeakPolarHBondContact OH-CG2 3.43Å; E640-V659 WeakPolarHBondContact CA-O 3.26Å; Y641-V659 PolarHBondContact N-O 2.99Å; Y641-V659 PolarHBondContact O-N 2.85Å; V643-V659 HydrophobicContact CG2-CG2 3.76Å; V659-I661 HydrophobicContact CB-CD1 4.43Å; V659-I661 HydrophobicContact CG1-CD1 3.76Å; V659-I661 PolarHBondContact O-N 2.79Å |
| 660 | D | 87.9 | Confident | 85.1 | Confident | 42 Ų | 42 | 46.7 Ų | 46.7 | 23% | 0.225 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 113.4 | 171.5 | -75 | -28 | 0 | 0 | 0 | 109.3 | R499 R587 G588 | R499-D660 IonicContact NH2-OD1 3.13Å; R499-D660 PolarHBondContact NH2-OD1 3.04Å; R499-D660 VanDerWaalsContact NH2-OD1 3.12Å; R587-D660 WeakPolarHBondContact CA-O 3.3Å; R587-D660 IonicContact CZ-OD2 2.82Å; R587-D660 VanDerWaalsContact CZ-OD2 3.26Å; R587-D660 VanDerWaalsContact NH1-CB 3.27Å; R587-D660 IonicContact NH1-OD2 3.19Å; R587-D660 PolarHBondContact NH1-OD2 3.42Å; R587-D660 IonicContact NH2-OD2 2.8Å; R587-D660 PolarHBondContact NH2-OD2 3.22Å; G588-D660 PolarHBondContact N-O 3.19Å |
| 661 | I | 91.4 | Very high | 84.8 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 125.7 | 172.7 | -54.2 | -54 | 0 | 0 | 0 | 110.3 | V590 P635 G639 Y641 V659 | V590-I661 HydrophobicContact CG2-CG2 3.78Å; P635-I661 HydrophobicContact CB-CD1 4.4Å; P635-I661 HydrophobicContact CB-CG1 3.98Å; P635-I661 HydrophobicContact CB-CG2 3.98Å; P635-I661 HydrophobicContact CG-CB 4.38Å; P635-I661 HydrophobicContact CG-CD1 3.75Å; P635-I661 HydrophobicContact CG-CG1 3.83Å; P635-I661 HydrophobicContact CG-CG2 3.64Å; G639-I661 PolarHBondContact N-O 3.15Å; G639-I661 WeakPolarHBondContact O-CA 3.4Å; G639-I661 WeakPolarHBondContact O-CB 3.42Å; G639-I661 PolarHBondContact O-N 3.02Å; Y641-I661 HydrophobicContact CD2-CB 4.11Å; Y641-I661 HydrophobicContact CD2-CG1 3.39Å; Y641-I661 HydrophobicContact CE2-CB 4.25Å; Y641-I661 HydrophobicContact CE2-CG1 3.87Å; Y641-I661 HydrophobicContact CG-CG1 4.23Å; V659-I661 HydrophobicContact CB-CD1 4.43Å; V659-I661 HydrophobicContact CG1-CD1 3.76Å; V659-I661 PolarHBondContact O-N 2.79Å |
| 662 | V | 87.9 | Confident | 84.7 | Confident | 65 Ų | 65 | 52.4 Ų | 52.4 | 39% | 0.394 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 160.3 | -175.8 | -61.2 | 0 | 0 | 0 | 0 | 113.1 | G588 V589 V590 | G588-V662 PolarHBondContact O-N 2.83Å; G588-V662 VanDerWaalsContact O-N 3.11Å; V589-V662 VanDerWaalsContact CA-O 3.29Å; V589-V662 WeakPolarHBondContact CA-O 3.43Å; V589-V662 HydrophobicContact CG2-CG2 4.45Å; V590-V662 PolarHBondContact N-O 3.43Å |
| 663 | N | 82.1 | Confident | 84.7 | Confident | 112 Ų | 112 | 52.6 Ų | 52.6 | 60% | 0.599 | 31% | 0.312 | S | S | * | . | trans | -64.7 | 145.6 | 169.4 | -84.1 | -28.7 | 0 | 0 | 0 | 111.3 | V638 | V638-N663 HydrophobicContact CG2-CB 4.39Å; V638-N663 VanDerWaalsContact CG2-CG 3.49Å; V638-N663 VanDerWaalsContact CG2-OD1 3.23Å; V638-N663 WeakPolarHBondContact CG2-OD1 3.26Å | ||
| 664 | S | 77.3 | Confident | 84.7 | Confident | 59 Ų | 59 | 57.3 Ų | 57.3 | 41% | 0.413 | 33% | 0.331 | S | S | . | . | trans | -66 | 137.3 | 174.4 | -171.3 | 0 | 0 | 0 | 0 | 111 | G666 | S664-G666 PolarHBondContact O-N 3Å; S664-G666 PolarHBondContact OG-N 2.89Å | ||
| 665 | K | 71.5 | Confident | 85 | Confident | 159 Ų | 159 | 53.5 Ų | 53.5 | 69% | 0.691 | 31% | 0.312 | S | S | * | . | trans | -71.4 | -19.3 | 175.3 | -59.8 | 174.1 | -167.5 | 157.6 | 0 | 113.1 | D748 | K665-D748 IonicContact NZ-OD1 2.68Å; K665-D748 PolarHBondContact NZ-OD1 2.84Å | ||
| 666 | G | 69.9 | Low | 84.6 | Confident | 45 Ų | 45 | 58.1 Ų | 58.1 | 46% | 0.464 | 33% | 0.334 | S | S | . | . | S | Bend | trans | 71.5 | 173.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S664 C668 | S664-G666 PolarHBondContact O-N 3Å; S664-G666 PolarHBondContact OG-N 2.89Å; G666-C668 VanDerWaalsContact C-N 3.3Å; G666-C668 PolarHBondContact O-N 2.83Å |
| 667 | G | 70.6 | Confident | 84.3 | Confident | 57 Ų | 57 | 60.1 Ų | 60.1 | 59% | 0.588 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 78.5 | 4.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | R702 | G667-R702 PolarHBondContact O-N 2.7Š|
| 668 | C | 75.3 | Confident | 83.9 | Confident | 16 Ų | 16 | 63.1 Ų | 63.1 | 11% | 0.108 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -129.2 | 145 | 179.9 | -173 | 0 | 0 | 0 | 0 | 112.1 | G666 A700 R702 M747 | G666-C668 VanDerWaalsContact C-N 3.3Å; G666-C668 PolarHBondContact O-N 2.83Å; C668-A700 CarbonylContact C-O 3.51Å; C668-A700 WeakPolarHBondContact CA-O 3.43Å; C668-A700 PolarHBondContact SG-O 2.86Å; C668-A700 VanDerWaalsContact SG-O 3.34Å; C668-R702 WeakPolarHBondContact CB-O 3.38Å; C668-M747 WeakPolarHBondContact SG-CG 3.34Å |
| 669 | F | 82.3 | Confident | 83.8 | Confident | 128 Ų | 128 | 61.1 Ų | 61.1 | 56% | 0.561 | 37% | 0.366 | S | S | * | . | trans | -128.1 | 80.2 | -175.9 | -56.9 | -81 | 0 | 0 | 0 | 111.2 | A671 L672 A700 | F669-A671 PolarHBondContact O-N 3.14Å; F669-L672 HydrophobicContact CB-CD1 3.9Å; F669-L672 HydrophobicContact CB-CG 4.11Å; F669-L672 HydrophobicContact CG-CD1 4.42Å; F669-L672 PolarHBondContact O-N 3.01Å; F669-A700 PolarHBondContact N-O 3.49Å; F669-A700 WeakPolarHBondContact O-CB 3.24Å | ||
| 670 | P | 85.1 | Confident | 83.9 | Confident | 15 Ų | 15 | 62.2 Ų | 62.2 | 10% | 0.097 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -56.6 | -21.1 | -178.3 | -25 | 32.3 | 0 | 0 | 0 | 115.4 | L672 V673 M747 Q750 I752 | P670-L672 PolarHBondContact O-N 3.13Å; P670-V673 PolarHBondContact O-N 3.32Å; P670-M747 HydrophobicContact CB-CB 4.11Å; P670-M747 HydrophobicContact CG-CB 4.18Å; P670-M747 HydrophobicContact CG-CG 4.49Å; P670-Q750 HydrophobicContact CB-CB 4.23Å; P670-Q750 HydrophobicContact CG-CB 3.63Å; P670-Q750 HydrophobicContact CG-CG 4.27Å; P670-I752 HydrophobicContact CB-CG2 4.22Å; P670-I752 WeakPolarHBondContact O-CG2 3.41Å |
| 671 | A | 82 | Confident | 83.8 | Confident | 86 Ų | 86 | 62.2 Ų | 62.2 | 71% | 0.711 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -74.9 | -9.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | F669 | F669-A671 PolarHBondContact O-N 3.14Š|
| 672 | L | 87.6 | Confident | 83.3 | Confident | 91 Ų | 91 | 68.9 Ų | 68.9 | 48% | 0.476 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -101 | 17.5 | 172.9 | -57.5 | 178.6 | 0 | 0 | 0 | 112.2 | F669 P670 H699 A700 | F669-L672 HydrophobicContact CB-CD1 3.9Å; F669-L672 HydrophobicContact CB-CG 4.11Å; F669-L672 HydrophobicContact CG-CD1 4.42Å; F669-L672 PolarHBondContact O-N 3.01Å; P670-L672 PolarHBondContact O-N 3.13Å; L672-H699 HydrophobicContact CB-CB 4.46Å; L672-H699 WeakPolarHBondContact CD1-O 3.47Å; L672-A700 HydrophobicContact CB-CB 4.43Å |
| 673 | V | 90.9 | Very high | 83.1 | Confident | 6 Ų | 6 | 69.9 Ų | 69.9 | 4% | 0.036 | 41% | 0.409 | C | S | . | . | trans | -95.5 | 119.9 | 169.4 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | P670 V695 D696 A697 A700 L705 V745 M747 I752 | P670-V673 PolarHBondContact O-N 3.32Å; V673-V695 HydrophobicContact CG1-CG1 3.56Å; V673-D696 CarbonylContact C-O 3.49Å; V673-D696 VanDerWaalsContact CA-O 3.3Å; V673-D696 WeakPolarHBondContact CA-O 3.01Å; V673-A697 HydrophobicContact CG1-CB 4.12Å; V673-A697 HydrophobicContact CG2-CB 3.87Å; V673-A700 HydrophobicContact CG2-CB 3.54Å; V673-L705 HydrophobicContact CG1-CD1 4.37Å; V673-V745 HydrophobicContact CG1-CG1 4.43Å; V673-M747 HydrophobicContact CG2-CB 4.38Å; V673-M747 HydrophobicContact CG2-CE 3.99Å; V673-I752 HydrophobicContact CB-CB 4.33Å; V673-I752 HydrophobicContact CB-CD1 4.23Å; V673-I752 HydrophobicContact CB-CG2 3.81Å; V673-I752 HydrophobicContact CG1-CD1 3.93Å; V673-I752 HydrophobicContact CG1-CG2 4.16Å; V673-I752 HydrophobicContact CG2-CG2 4.03Å | ||
| 674 | E | 87.4 | Confident | 82.9 | Confident | 136 Ų | 136 | 66.8 Ų | 66.8 | 64% | 0.636 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 134.7 | 179 | -65.4 | -169.2 | 178.9 | 0 | 0 | 111.2 | V695 D696 | E674-V695 WeakPolarHBondContact O-CA 3Å; E674-D696 PolarHBondContact N-O 2.92Å; E674-D696 PolarHBondContact O-N 2.84Å |
| 675 | C | 92.9 | Very high | 83.4 | Confident | 29 Ų | 29 | 64.4 Ų | 64.4 | 20% | 0.196 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 125.9 | 175.8 | -65.2 | 0 | 0 | 0 | 0 | 110.2 | L680 V694 I752 F757 | C675-L680 HydrophobicContact CB-CD1 3.67Å; C675-V694 WeakPolarHBondContact CA-O 3.32Å; C675-I752 WeakPolarHBondContact SG-CD1 3.46Å; C675-F757 HydrophobicContact CB-CE1 4.07Å; C675-F757 HydrophobicContact CB-CE2 3.98Å; C675-F757 HydrophobicContact CB-CZ 3.57Å |
| 676 | H | 85.1 | Confident | 83.9 | Confident | 96 Ų | 96 | 59.7 Ų | 59.7 | 44% | 0.444 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 148.7 | -177.7 | 57.3 | -100.5 | 0 | 0 | 0 | 112.8 | V694 | H676-V694 PolarHBondContact N-O 3.18Å; H676-V694 PolarHBondContact O-N 3.32Å |
| 677 | G | 86.5 | Confident | 84.5 | Confident | 43 Ų | 43 | 59 Ų | 59 | 44% | 0.443 | 36% | 0.355 | S | S | . | . | S | Bend | trans | 132.2 | 162.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G679 L680 | G677-G679 VanDerWaalsContact C-N 3.25Å; G677-G679 PolarHBondContact O-N 2.67Å; G677-L680 PolarHBondContact O-N 2.65Å; G677-L680 VanDerWaalsContact O-N 3.15Å |
| 678 | T | 85.7 | Confident | 85.1 | Confident | 95 Ų | 95 | 58.8 Ų | 58.8 | 58% | 0.583 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -61.5 | -31.3 | -174.3 | 45.7 | 0 | 0 | 0 | 0 | 113.1 | L680 A681 N685 T692 | T678-L680 PolarHBondContact O-N 3.15Å; T678-L680 VanDerWaalsContact O-N 3.11Å; T678-A681 VanDerWaalsContact O-CB 3.23Å; T678-A681 WeakPolarHBondContact O-CB 3.35Å; T678-A681 PolarHBondContact O-N 3.33Å; T678-N685 PolarHBondContact O-ND2 2.78Å; T678-N685 PolarHBondContact O-OD1 3.25Å; T678-T692 PolarHBondContact N-O 2.93Å |
| 679 | G | 89.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -65.8 | -7.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | G677 T692 Y733 | G677-G679 VanDerWaalsContact C-N 3.25Å; G677-G679 PolarHBondContact O-N 2.67Å; G679-T692 WeakPolarHBondContact CA-O 3.2Å; G679-T692 PolarHBondContact N-O 3.08Å; G679-Y733 WeakPolarHBondContact O-CE1 3.48Å; G679-Y733 PolarHBondContact O-OH 3.13Å; G679-Y733 VanDerWaalsContact O-OH 3.1Å |
| 680 | L | 92.5 | Very high | 85.8 | Confident | 23 Ų | 23 | 61.2 Ų | 61.2 | 12% | 0.12 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -114.8 | 8.3 | 169.3 | -61.7 | 178.8 | 0 | 0 | 0 | 112.8 | C675 G677 T678 R682 F693 F743 F757 | C675-L680 HydrophobicContact CB-CD1 3.67Å; G677-L680 PolarHBondContact O-N 2.65Å; G677-L680 VanDerWaalsContact O-N 3.15Å; T678-L680 PolarHBondContact O-N 3.15Å; T678-L680 VanDerWaalsContact O-N 3.11Å; L680-R682 PolarHBondContact O-N 2.8Å; L680-F693 HydrophobicContact CD1-CB 4.03Å; L680-F693 HydrophobicContact CD1-CD1 4.44Å; L680-F693 HydrophobicContact CD1-CD2 3.56Å; L680-F693 HydrophobicContact CD1-CE2 4.02Å; L680-F693 HydrophobicContact CD1-CG 3.79Å; L680-F693 HydrophobicContact CD2-CD1 3.79Å; L680-F693 HydrophobicContact CD2-CD2 4.22Å; L680-F693 HydrophobicContact CD2-CE1 3.79Å; L680-F693 HydrophobicContact CD2-CE2 4.21Å; L680-F693 HydrophobicContact CD2-CG 4.01Å; L680-F693 HydrophobicContact CD2-CZ 4.01Å; L680-F693 HydrophobicContact CG-CB 3.73Å; L680-F693 HydrophobicContact CG-CD1 3.78Å; L680-F693 HydrophobicContact CG-CD2 3.84Å; L680-F693 HydrophobicContact CG-CE1 4.27Å; L680-F693 HydrophobicContact CG-CE2 4.31Å; L680-F693 HydrophobicContact CG-CG 3.54Å; L680-F743 HydrophobicContact CD2-CB 3.94Å; L680-F743 HydrophobicContact CD2-CD2 3.96Å; L680-F743 HydrophobicContact CD2-CG 4.01Å; L680-F757 HydrophobicContact CB-CB 4.47Å; L680-F757 HydrophobicContact CD1-CB 4.45Å; L680-F757 HydrophobicContact CD1-CD1 4.26Å; L680-F757 HydrophobicContact CD1-CD2 4.22Å; L680-F757 HydrophobicContact CD1-CG 4.06Å; L680-F757 HydrophobicContact CD2-CB 3.86Å; L680-F757 HydrophobicContact CD2-CG 4.32Å; L680-F757 HydrophobicContact CG-CB 4.48Å |
| 681 | A | 85.8 | Confident | 86.1 | Confident | 43 Ų | 43 | 60.6 Ų | 60.6 | 36% | 0.355 | 36% | 0.363 | S | S | . | . | trans | -66.4 | 127.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | T678 T683 N685 V759 | T678-A681 VanDerWaalsContact O-CB 3.23Å; T678-A681 WeakPolarHBondContact O-CB 3.35Å; T678-A681 PolarHBondContact O-N 3.33Å; A681-T683 PolarHBondContact O-N 2.86Å; A681-N685 PolarHBondContact O-ND2 2.81Å; A681-N685 VanDerWaalsContact O-ND2 3.15Å; A681-V759 WeakPolarHBondContact O-CG1 3.44Å | ||
| 682 | R | 82.7 | Confident | 86.5 | Confident | 143 Ų | 143 | 58.5 Ų | 58.5 | 54% | 0.54 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -55.1 | -25.7 | -173.7 | -170.1 | 174.8 | -177.7 | -150.8 | -4.1 | 113.7 | L680 R758 Y760 | L680-R682 PolarHBondContact O-N 2.8Å; R682-R758 WeakPolarHBondContact CA-O 3.39Å; R682-Y760 HydrophobicContact CG-CD2 4Å; R682-Y760 HydrophobicContact CG-CE2 3.75Å; R682-Y760 PolarHBondContact NH2-OH 2.81Å; R682-Y760 VanDerWaalsContact O-CD2 3.31Å; R682-Y760 WeakPolarHBondContact O-CD2 3.5Å; R682-Y760 PolarHBondContact O-N 2.63Å |
| 683 | T | 82.6 | Confident | 87 | Confident | 85 Ų | 85 | 54.3 Ų | 54.3 | 52% | 0.521 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -140 | 167.5 | 172.3 | 53.7 | 0 | 0 | 0 | 0 | 110.4 | A681 Y760 | A681-T683 PolarHBondContact O-N 2.86Å; T683-Y760 HydrophobicContact CG2-CD2 4.13Å |
| 684 | G | 78.9 | Confident | 87.1 | Confident | 47 Ų | 47 | 55.3 Ų | 55.3 | 49% | 0.485 | 33% | 0.326 | S | S | . | . | trans | 95.2 | -7.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 685 | N | 87.5 | Confident | 87.4 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.053 | 30% | 0.296 | C | S | . | . | trans | -82.2 | 129 | 167.8 | -69.7 | -71.9 | 0 | 0 | 0 | 109.4 | T678 A681 S691 V759 I761 Q762 | T678-N685 PolarHBondContact O-ND2 2.78Å; T678-N685 PolarHBondContact O-OD1 3.25Å; A681-N685 PolarHBondContact O-ND2 2.81Å; A681-N685 VanDerWaalsContact O-ND2 3.15Å; N685-S691 PolarHBondContact OD1-OG 3.18Å; N685-S691 VanDerWaalsContact OD1-OG 3.13Å; N685-V759 HydrophobicContact CB-CG1 3.92Å; N685-I761 HydrophobicContact CB-CD1 3.83Å; N685-I761 WeakPolarHBondContact O-CA 3.45Å; N685-Q762 PolarHBondContact O-N 2.95Å | ||
| 686 | I | 82 | Confident | 87.4 | Confident | 60 Ų | 60 | 49.5 Ų | 49.5 | 31% | 0.308 | 30% | 0.297 | S | S | . | . | B | Isolated β-bridge | trans | -111.6 | 137.2 | -170.2 | -57.5 | 173.3 | 0 | 0 | 0 | 110.5 | G688 T689 Q762 P764 | I686-G688 PolarHBondContact O-N 2.75Å; I686-T689 HydrophobicContact CB-CG2 3.89Å; I686-T689 HydrophobicContact CG2-CG2 4.12Å; I686-T689 PolarHBondContact N-OG1 2.95Å; I686-T689 WeakPolarHBondContact O-CB 3.29Å; I686-T689 PolarHBondContact O-N 3.13Å; I686-T689 PolarHBondContact O-OG1 3.36Å; I686-Q762 WeakPolarHBondContact CA-O 3.44Å; I686-P764 HydrophobicContact CG2-CB 3.94Å |
| 687 | C | 82.1 | Confident | 87.7 | Confident | 30 Ų | 30 | 45.2 Ų | 45.2 | 20% | 0.203 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 130.9 | 177.6 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | T689 N737 A738 I761 Q762 | C687-T689 VanDerWaalsContact C-N 3.28Å; C687-T689 PolarHBondContact O-N 3.13Å; C687-N737 VanDerWaalsContact SG-C 3.6Å; C687-A738 HydrophobicContact CB-CB 4.28Å; C687-I761 HydrophobicContact CB-CG2 3.86Å; C687-I761 VanDerWaalsContact N-CG2 3.32Å; C687-Q762 PolarHBondContact N-O 3.48Å |
| 688 | G | 82.5 | Confident | 87.7 | Confident | 53 Ų | 53 | 45.6 Ų | 45.6 | 55% | 0.546 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | -5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116 | I686 P735 | I686-G688 PolarHBondContact O-N 2.75Å; G688-P735 PolarHBondContact N-O 3.26Å |
| 689 | T | 84.2 | Confident | 87.8 | Confident | 63 Ų | 63 | 48 Ų | 48 | 39% | 0.387 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -95.2 | 146.5 | 176.5 | 70.1 | 0 | 0 | 0 | 0 | 112 | I686 C687 S691 P735 | I686-T689 HydrophobicContact CB-CG2 3.89Å; I686-T689 HydrophobicContact CG2-CG2 4.12Å; I686-T689 PolarHBondContact N-OG1 2.95Å; I686-T689 WeakPolarHBondContact O-CB 3.29Å; I686-T689 PolarHBondContact O-N 3.13Å; I686-T689 PolarHBondContact O-OG1 3.36Å; C687-T689 VanDerWaalsContact C-N 3.28Å; C687-T689 PolarHBondContact O-N 3.13Å; T689-S691 PolarHBondContact O-N 3Å; T689-P735 VanDerWaalsContact O-CD 3.26Å; T689-P735 WeakPolarHBondContact O-CD 3.33Å |
| 690 | K | 88.7 | Confident | 87.6 | Confident | 131 Ų | 131 | 48 Ų | 48 | 57% | 0.57 | 28% | 0.279 | S | S | * | . | trans | -71.3 | 118.3 | 179.8 | -176 | -172.6 | 177.1 | -177.5 | 0 | 110.5 | T692 | K690-T692 HydrophobicContact CD-CG2 4.34Å; K690-T692 HydrophobicContact CG-CG2 4.26Å | ||
| 691 | S | 90.4 | Very high | 86.9 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.014 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 139.1 | 177.1 | -58 | 0 | 0 | 0 | 0 | 110 | N685 T689 Q732 Y733 | N685-S691 PolarHBondContact OD1-OG 3.18Å; N685-S691 VanDerWaalsContact OD1-OG 3.13Å; T689-S691 PolarHBondContact O-N 3Å; S691-Q732 WeakPolarHBondContact O-CA 3.34Å; S691-Y733 PolarHBondContact N-O 3.26Å; S691-Y733 PolarHBondContact O-N 2.8Å |
| 692 | T | 92 | Very high | 86.5 | Confident | 43 Ų | 43 | 58.2 Ų | 58.2 | 26% | 0.264 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 135.8 | -172.1 | 52.7 | 0 | 0 | 0 | 0 | 112.9 | T678 G679 K690 C731 Q732 | T678-T692 PolarHBondContact N-O 2.93Å; G679-T692 WeakPolarHBondContact CA-O 3.2Å; G679-T692 PolarHBondContact N-O 3.08Å; K690-T692 HydrophobicContact CD-CG2 4.34Å; K690-T692 HydrophobicContact CG-CG2 4.26Å; T692-C731 WeakPolarHBondContact CA-O 3.48Å; T692-Q732 HydrophobicContact CG2-CB 3.97Å |
| 693 | F | 96.4 | Very high | 86.3 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.009 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 169.6 | 172.9 | 64 | -90.6 | 0 | 0 | 0 | 111.2 | L680 V695 V707 C731 Y733 F743 | L680-F693 HydrophobicContact CD1-CB 4.03Å; L680-F693 HydrophobicContact CD1-CD1 4.44Å; L680-F693 HydrophobicContact CD1-CD2 3.56Å; L680-F693 HydrophobicContact CD1-CE2 4.02Å; L680-F693 HydrophobicContact CD1-CG 3.79Å; L680-F693 HydrophobicContact CD2-CD1 3.79Å; L680-F693 HydrophobicContact CD2-CD2 4.22Å; L680-F693 HydrophobicContact CD2-CE1 3.79Å; L680-F693 HydrophobicContact CD2-CE2 4.21Å; L680-F693 HydrophobicContact CD2-CG 4.01Å; L680-F693 HydrophobicContact CD2-CZ 4.01Å; L680-F693 HydrophobicContact CG-CB 3.73Å; L680-F693 HydrophobicContact CG-CD1 3.78Å; L680-F693 HydrophobicContact CG-CD2 3.84Å; L680-F693 HydrophobicContact CG-CE1 4.27Å; L680-F693 HydrophobicContact CG-CE2 4.31Å; L680-F693 HydrophobicContact CG-CG 3.54Å; F693-V695 HydrophobicContact CD2-CG2 3.93Å; F693-V695 HydrophobicContact CE2-CG2 3.7Å; F693-V707 HydrophobicContact CE2-CG1 4.2Å; F693-V707 HydrophobicContact CZ-CG1 4.01Å; F693-C731 HydrophobicContact CD1-CB 4.02Å; F693-C731 HydrophobicContact CD2-CB 3.74Å; F693-C731 HydrophobicContact CE1-CB 3.69Å; F693-C731 HydrophobicContact CE2-CB 3.38Å; F693-C731 HydrophobicContact CG-CB 4.05Å; F693-C731 HydrophobicContact CZ-CB 3.36Å; F693-C731 PolarHBondContact N-O 3.2Å; F693-C731 PolarHBondContact O-N 3.01Å; F693-C731 VanDerWaalsContact O-O 3.05Å; F693-Y733 HydrophobicContact CD1-CD1 4.46Å; F693-Y733 HydrophobicContact CD1-CE1 4.32Å; F693-Y733 HydrophobicContact CE1-CD1 4.13Å; F693-Y733 HydrophobicContact CE1-CE1 4.21Å; F693-F743 HydrophobicContact CE1-CD1 4.41Å; F693-F743 HydrophobicContact CZ-CD1 4.47Å |
| 694 | V | 93.3 | Very high | 86.3 | Confident | 28 Ų | 28 | 54.1 Ų | 54.1 | 17% | 0.17 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 140.3 | 177.8 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | C675 H676 V728 V729 Q730 | C675-V694 WeakPolarHBondContact CA-O 3.32Å; H676-V694 PolarHBondContact N-O 3.18Å; H676-V694 PolarHBondContact O-N 3.32Å; V694-V728 HydrophobicContact CG1-CG1 3.52Å; V694-V729 WeakPolarHBondContact CA-O 3.39Å; V694-Q730 HydrophobicContact CG2-CB 4.38Å; V694-Q730 HydrophobicContact CG2-CG 4.4Å |
| 695 | V | 94.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 105.7 | 171.2 | -175.6 | 0 | 0 | 0 | 0 | 107 | V673 E674 F693 L705 V707 V729 V745 | V673-V695 HydrophobicContact CG1-CG1 3.56Å; E674-V695 WeakPolarHBondContact O-CA 3Å; F693-V695 HydrophobicContact CD2-CG2 3.93Å; F693-V695 HydrophobicContact CE2-CG2 3.7Å; V695-L705 HydrophobicContact CG1-CD1 4.03Å; V695-L705 HydrophobicContact CG1-CD2 4.04Å; V695-V707 HydrophobicContact CG2-CG2 4.1Å; V695-V729 PolarHBondContact N-O 2.64Å; V695-V729 PolarHBondContact O-N 2.82Å; V695-V745 HydrophobicContact CG1-CG1 4.01Å; V695-V745 HydrophobicContact CG2-CG2 4.46Å |
| 696 | D | 92.9 | Very high | 86.9 | Confident | 43 Ų | 43 | 57.7 Ų | 57.7 | 23% | 0.23 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 111.7 | 173.9 | -165.7 | -34.5 | 0 | 0 | 0 | 109.2 | V673 E674 S698 V728 | V673-D696 CarbonylContact C-O 3.49Å; V673-D696 VanDerWaalsContact CA-O 3.3Å; V673-D696 WeakPolarHBondContact CA-O 3.01Å; E674-D696 PolarHBondContact N-O 2.92Å; E674-D696 PolarHBondContact O-N 2.84Å; D696-S698 WeakPolarHBondContact OD1-CB 3.42Å; D696-S698 PolarHBondContact OD1-N 2.89Å; D696-S698 PolarHBondContact OD1-OG 3.45Å; D696-V728 HydrophobicContact CB-CG1 4.3Å; D696-V728 HydrophobicContact CB-CG2 4.32Å; D696-V728 WeakPolarHBondContact OD2-CG2 3.37Å |
| 697 | A | 90.8 | Very high | 87.4 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 5% | 0.05 | 31% | 0.307 | C | S | . | . | trans | -115.8 | 14.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | V673 H699 A700 L705 G727 M747 | V673-A697 HydrophobicContact CG1-CB 4.12Å; V673-A697 HydrophobicContact CG2-CB 3.87Å; A697-H699 PolarHBondContact O-N 2.85Å; A697-H699 VanDerWaalsContact O-N 3.1Å; A697-A700 HydrophobicContact CB-CB 4.19Å; A697-A700 WeakPolarHBondContact O-CB 3.24Å; A697-A700 PolarHBondContact O-N 3.22Å; A697-L705 HydrophobicContact CB-CD1 4.47Å; A697-L705 HydrophobicContact CB-CD2 4.22Å; A697-G727 CarbonylContact C-O 3.57Å; A697-G727 WeakPolarHBondContact CA-O 3.13Å; A697-G727 WeakPolarHBondContact CB-O 3.18Å; A697-G727 PolarHBondContact N-O 2.81Å; A697-M747 HydrophobicContact CB-CE 3.43Å; A697-M747 VanDerWaalsContact CB-CE 3.43Å | ||
| 698 | S | 87.4 | Confident | 87.9 | Confident | 51 Ų | 51 | 54.2 Ų | 54.2 | 36% | 0.357 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23.6 | -175.3 | 66.6 | 0 | 0 | 0 | 0 | 113.4 | D696 G727 | D696-S698 WeakPolarHBondContact OD1-CB 3.42Å; D696-S698 PolarHBondContact OD1-N 2.89Å; D696-S698 PolarHBondContact OD1-OG 3.45Å; S698-G727 PolarHBondContact N-O 2.9Å |
| 699 | H | 86.9 | Confident | 88.4 | Confident | 146 Ų | 146 | 51.7 Ų | 51.7 | 68% | 0.676 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -4.9 | 176.3 | -61.6 | -30.5 | 0 | 0 | 0 | 114.3 | L672 A697 G701 | L672-H699 HydrophobicContact CB-CB 4.46Å; L672-H699 WeakPolarHBondContact CD1-O 3.47Å; A697-H699 PolarHBondContact O-N 2.85Å; A697-H699 VanDerWaalsContact O-N 3.1Å; H699-G701 VanDerWaalsContact C-N 3.29Å; H699-G701 PolarHBondContact O-N 3.12Å |
| 700 | A | 85.1 | Confident | 88.9 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -80.5 | -0 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | C668 F669 L672 V673 A697 M747 | C668-A700 CarbonylContact C-O 3.51Å; C668-A700 WeakPolarHBondContact CA-O 3.43Å; C668-A700 PolarHBondContact SG-O 2.86Å; C668-A700 VanDerWaalsContact SG-O 3.34Å; F669-A700 PolarHBondContact N-O 3.49Å; F669-A700 WeakPolarHBondContact O-CB 3.24Å; L672-A700 HydrophobicContact CB-CB 4.43Å; V673-A700 HydrophobicContact CG2-CB 3.54Å; A697-A700 HydrophobicContact CB-CB 4.19Å; A697-A700 WeakPolarHBondContact O-CB 3.24Å; A697-A700 PolarHBondContact O-N 3.22Å; A700-M747 HydrophobicContact CB-CE 4.11Å |
| 701 | G | 78.8 | Confident | 89.1 | Confident | 48 Ų | 48 | 43.5 Ų | 43.5 | 50% | 0.495 | 23% | 0.234 | S | C | . | . | B | Isolated β-bridge | trans | 80.2 | -157.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | H699 | H699-G701 VanDerWaalsContact C-N 3.29Å; H699-G701 PolarHBondContact O-N 3.12Å |
| 702 | R | 77.3 | Confident | 89.1 | Confident | 231 Ų | 231 | 43.9 Ų | 43.9 | 87% | 0.872 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -94.3 | 111.3 | 178.6 | -74.1 | -171.9 | 176.9 | -160.6 | -0.6 | 110.1 | G667 C668 | G667-R702 PolarHBondContact O-N 2.7Å; C668-R702 WeakPolarHBondContact CB-O 3.38Å |
| 703 | G | 77.3 | Confident | 88.9 | Confident | 33 Ų | 33 | 44.8 Ų | 44.8 | 34% | 0.34 | 24% | 0.239 | S | C | . | . | trans | -153.3 | 171.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 704 | D | 83.8 | Confident | 88.4 | Confident | 109 Ų | 109 | 46 Ų | 46 | 58% | 0.583 | 25% | 0.253 | S | S | * | . | trans | -89.2 | 111 | 177.1 | -169.1 | 27.6 | 0 | 0 | 0 | 110.8 | M747 D748 | D704-M747 VanDerWaalsContact C-SD 3.59Å; D704-M747 CarbonylContact O-C 3.58Å; D704-M747 WeakPolarHBondContact O-CA 3.43Å; D704-D748 PolarHBondContact O-N 2.8Å | ||
| 705 | L | 88.2 | Confident | 88.2 | Confident | 39 Ų | 39 | 50.9 Ų | 50.9 | 20% | 0.204 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 121.3 | -177.4 | 179.6 | 68.2 | 0 | 0 | 0 | 110.4 | V673 V695 A697 V729 V745 M747 | V673-L705 HydrophobicContact CG1-CD1 4.37Å; V695-L705 HydrophobicContact CG1-CD1 4.03Å; V695-L705 HydrophobicContact CG1-CD2 4.04Å; A697-L705 HydrophobicContact CB-CD1 4.47Å; A697-L705 HydrophobicContact CB-CD2 4.22Å; L705-V729 HydrophobicContact CD2-CB 4.49Å; L705-V729 HydrophobicContact CD2-CG2 3.95Å; L705-V745 HydrophobicContact CD1-CG1 3.98Å; L705-M747 HydrophobicContact CB-CE 3.86Å; L705-M747 HydrophobicContact CB-SD 4Å; L705-M747 HydrophobicContact CD1-CE 3.89Å; L705-M747 HydrophobicContact CG-CE 4.38Å |
| 706 | H | 89.1 | Confident | 87.9 | Confident | 94 Ų | 94 | 56.9 Ų | 56.9 | 44% | 0.435 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 125.1 | 179.8 | -179 | -76.8 | 0 | 0 | 0 | 111.4 | V745 T746 | H706-V745 WeakPolarHBondContact O-CA 3.26Å; H706-T746 PolarHBondContact N-O 3Å; H706-T746 PolarHBondContact O-N 2.79Å |
| 707 | V | 92.6 | Very high | 87.8 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 124.6 | 176.4 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | F693 V695 I719 Q721 F744 V745 | F693-V707 HydrophobicContact CE2-CG1 4.2Å; F693-V707 HydrophobicContact CZ-CG1 4.01Å; V695-V707 HydrophobicContact CG2-CG2 4.1Å; V707-I719 HydrophobicContact CG1-CD1 4.08Å; V707-Q721 PolarHBondContact O-NE2 3.49Å; V707-Q721 VanDerWaalsContact O-NE2 3.09Å; V707-F744 WeakPolarHBondContact CA-O 3.49Å; V707-V745 HydrophobicContact CG1-CG2 4.18Å; V707-V745 HydrophobicContact CG2-CG1 4.27Å; V707-V745 HydrophobicContact CG2-CG2 4.12Å |
| 708 | C | 92.4 | Very high | 87.8 | Confident | 10 Ų | 10 | 60.7 Ų | 60.7 | 7% | 0.068 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 174.2 | 169.5 | 64.9 | 0 | 0 | 0 | 0 | 110.9 | F743 F744 | C708-F743 CarbonylContact O-C 3.55Å; C708-F743 WeakPolarHBondContact O-CA 3.4Å; C708-F744 PolarHBondContact N-O 3.04Å; C708-F744 PolarHBondContact O-N 2.89Å |
| 709 | G | 93.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 157.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V717 S742 | G709-V717 PolarHBondContact O-N 2.83Å; G709-S742 VanDerWaalsContact CA-O 3.27Å; G709-S742 WeakPolarHBondContact CA-O 3.3Å |
| 710 | Y | 95.5 | Very high | 88.2 | Confident | 10 Ų | 10 | 54.9 Ų | 54.9 | 4% | 0.039 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 144.5 | -179.2 | -56.2 | -79.6 | 0 | 0 | 0 | 109.7 | F581 K586 M715 E716 H741 S742 F744 | F581-Y710 HydrophobicContact CB-CD1 4.29Å; F581-Y710 HydrophobicContact CB-CD2 3.9Å; F581-Y710 HydrophobicContact CB-CE2 4.39Å; F581-Y710 HydrophobicContact CB-CG 3.87Å; F581-Y710 AromaticContact CD2-CD2 3.73Å; F581-Y710 HydrophobicContact CD2-CD2 3.73Å; F581-Y710 AromaticContact CD2-CG 3.87Å; F581-Y710 HydrophobicContact CD2-CG 3.87Å; F581-Y710 HydrophobicContact CG-CD2 4.05Å; F581-Y710 AromaticContact CG-CG 3.88Å; F581-Y710 HydrophobicContact CG-CG 3.88Å; K586-Y710 PolarHBondContact NZ-OH 2.8Å; Y710-M715 VanDerWaalsContact CA-O 3.27Å; Y710-M715 WeakPolarHBondContact CA-O 3.42Å; Y710-E716 HydrophobicContact CD1-CB 4Å; Y710-E716 HydrophobicContact CD1-CG 4.19Å; Y710-E716 HydrophobicContact CE1-CB 3.74Å; Y710-E716 HydrophobicContact CE1-CG 3.59Å; Y710-E716 WeakPolarHBondContact CE1-OE1 3.5Å; Y710-E716 PolarHBondContact OH-OE1 3.15Å; Y710-H741 CarbonylContact O-C 3.52Å; Y710-H741 WeakPolarHBondContact O-CA 3.2Å; Y710-S742 PolarHBondContact N-O 2.84Å; Y710-S742 PolarHBondContact O-N 3.45Å; Y710-F744 AromaticContact CD2-CD2 3.97Å; Y710-F744 HydrophobicContact CD2-CD2 3.97Å; Y710-F744 AromaticContact CD2-CE2 3.89Å; Y710-F744 HydrophobicContact CD2-CE2 3.89Å; Y710-F744 HydrophobicContact CE2-CD2 4.16Å; Y710-F744 HydrophobicContact CE2-CE2 4.4Å |
| 711 | D | 92.9 | Very high | 88.6 | Confident | 11 Ų | 11 | 59.3 Ų | 59.3 | 6% | 0.059 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 174 | 163.2 | 75 | 8.5 | 0 | 0 | 0 | 110.9 | F581 D713 G714 M715 N737 A740 | F581-D711 WeakPolarHBondContact CE1-O 3.48Å; D711-D713 PolarHBondContact O-N 3.2Å; D711-D713 WeakPolarHBondContact OD1-CB 3.34Å; D711-D713 PolarHBondContact OD1-N 2.99Å; D711-D713 VanDerWaalsContact OD1-N 3.07Å; D711-G714 WeakPolarHBondContact O-CA 3.24Å; D711-G714 PolarHBondContact O-N 3.3Å; D711-G714 PolarHBondContact OD1-N 2.78Å; D711-M715 PolarHBondContact N-O 3.09Å; D711-M715 WeakPolarHBondContact OD1-CB 3.41Å; D711-M715 PolarHBondContact OD1-N 2.84Å; D711-N737 PolarHBondContact OD2-ND2 3.13Å; D711-A740 CarbonylContact C-O 3.58Å; D711-A740 WeakPolarHBondContact CA-O 3.43Å |
| 712 | S | 90.7 | Very high | 89 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 7% | 0.07 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -21.7 | -176.4 | 78.4 | 0 | 0 | 0 | 0 | 114 | N601 G714 A740 | N601-S712 PolarHBondContact ND2-O 2.86Å; N601-S712 VanDerWaalsContact OD1-CB 3.31Å; N601-S712 WeakPolarHBondContact OD1-CB 3.35Å; N601-S712 PolarHBondContact OD1-O 2.95Å; N601-S712 PolarHBondContact OD1-OG 2.86Å; S712-G714 PolarHBondContact O-N 3.27Å; S712-A740 PolarHBondContact N-O 2.99Å |
| 713 | D | 87.6 | Confident | 89.5 | Confident | 62 Ų | 62 | 55.9 Ų | 55.9 | 33% | 0.332 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -4.7 | 172.5 | -64.3 | -25 | 0 | 0 | 0 | 112.3 | K579 D711 M715 K739 | K579-D713 VanDerWaalsContact CD-O 3.28Å; K579-D713 WeakPolarHBondContact CD-O 3.29Å; K579-D713 WeakPolarHBondContact CG-O 3.26Å; D711-D713 PolarHBondContact O-N 3.2Å; D711-D713 WeakPolarHBondContact OD1-CB 3.34Å; D711-D713 PolarHBondContact OD1-N 2.99Å; D711-D713 VanDerWaalsContact OD1-N 3.07Å; D713-M715 VanDerWaalsContact C-N 3.34Å; D713-M715 HydrophobicContact CB-CG 4.39Å; D713-K739 IonicContact OD1-NZ 3.22Å; D713-K739 PolarHBondContact OD1-NZ 3.13Å; D713-K739 IonicContact OD2-NZ 3.56Å; D713-K739 PolarHBondContact OD2-NZ 2.78Å |
| 714 | G | 85.2 | Confident | 89.9 | Confident | 29 Ų | 29 | 58.6 Ų | 58.6 | 30% | 0.299 | 33% | 0.328 | S | S | . | . | trans | 79.4 | 12.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D711 S712 | D711-G714 WeakPolarHBondContact O-CA 3.24Å; D711-G714 PolarHBondContact O-N 3.3Å; D711-G714 PolarHBondContact OD1-N 2.78Å; S712-G714 PolarHBondContact O-N 3.27Å | ||
| 715 | M | 89.4 | Confident | 89.8 | Confident | 130 Ų | 130 | 56 Ų | 56 | 64% | 0.64 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 132.9 | 174.1 | -66.8 | -80.5 | -170.6 | 0 | 0 | 109.8 | Y710 D711 D713 V717 | Y710-M715 VanDerWaalsContact CA-O 3.27Å; Y710-M715 WeakPolarHBondContact CA-O 3.42Å; D711-M715 PolarHBondContact N-O 3.09Å; D711-M715 WeakPolarHBondContact OD1-CB 3.41Å; D711-M715 PolarHBondContact OD1-N 2.84Å; D713-M715 VanDerWaalsContact C-N 3.34Å; D713-M715 HydrophobicContact CB-CG 4.39Å; M715-V717 PolarHBondContact O-N 3.35Å |
| 716 | E | 89.8 | Confident | 89.4 | Confident | 125 Ų | 125 | 59.9 Ų | 59.9 | 58% | 0.584 | 35% | 0.345 | S | S | * | . | B | Isolated β-bridge | trans | -73.2 | 120.6 | -179.8 | -164.5 | 157.5 | -114.2 | 0 | 0 | 111 | Y710 S718 | Y710-E716 HydrophobicContact CD1-CB 4Å; Y710-E716 HydrophobicContact CD1-CG 4.19Å; Y710-E716 HydrophobicContact CE1-CB 3.74Å; Y710-E716 HydrophobicContact CE1-CG 3.59Å; Y710-E716 WeakPolarHBondContact CE1-OE1 3.5Å; Y710-E716 PolarHBondContact OH-OE1 3.15Å; E716-S718 PolarHBondContact O-N 3.1Å |
| 717 | V | 90.2 | Very high | 88.9 | Confident | 20 Ų | 20 | 57 Ų | 57 | 12% | 0.121 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 124.3 | -179.6 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | G709 M715 I719 Y733 F743 | G709-V717 PolarHBondContact O-N 2.83Å; M715-V717 PolarHBondContact O-N 3.35Å; V717-I719 HydrophobicContact CG1-CG1 4.32Å; V717-I719 PolarHBondContact O-N 3.23Å; V717-Y733 HydrophobicContact CG1-CD2 4.04Å; V717-Y733 HydrophobicContact CG1-CG 4.23Å; V717-F743 HydrophobicContact CB-CE1 4.33Å; V717-F743 HydrophobicContact CG1-CE1 4Å; V717-F743 HydrophobicContact CG1-CZ 4.2Å |
| 718 | S | 90.7 | Very high | 88.8 | Confident | 110 Ų | 110 | 57.3 Ų | 57.3 | 77% | 0.769 | 34% | 0.344 | S | S | * | . | trans | -71.4 | 103.2 | 176 | -169.1 | 0 | 0 | 0 | 0 | 110.7 | E716 | E716-S718 PolarHBondContact O-N 3.1Š| ||
| 719 | I | 92.8 | Very high | 88.7 | Confident | 23 Ų | 23 | 57.7 Ų | 57.7 | 12% | 0.118 | 35% | 0.345 | C | S | . | . | trans | -102.7 | 111.1 | 176.6 | -56.4 | 167.3 | 0 | 0 | 0 | 108.1 | V707 V717 Q721 C731 F743 | V707-I719 HydrophobicContact CG1-CD1 4.08Å; V717-I719 HydrophobicContact CG1-CG1 4.32Å; V717-I719 PolarHBondContact O-N 3.23Å; I719-Q721 HydrophobicContact CG2-CG 4.07Å; I719-C731 HydrophobicContact CG2-CB 3.73Å; I719-F743 HydrophobicContact CD1-CD1 3.59Å; I719-F743 HydrophobicContact CD1-CE1 3.71Å; I719-F743 HydrophobicContact CG1-CD1 4.39Å; I719-F743 HydrophobicContact CG1-CE1 4.01Å | ||
| 720 | A | 90.5 | Very high | 88.7 | Confident | 51 Ų | 51 | 60.8 Ų | 60.8 | 42% | 0.421 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 137.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | C731 Q732 | A720-C731 WeakPolarHBondContact O-CA 3.41Å; A720-Q732 HydrophobicContact CB-CG 3.77Å; A720-Q732 PolarHBondContact N-O 2.68Å; A720-Q732 PolarHBondContact O-N 2.74Å |
| 721 | Q | 91.9 | Very high | 88.7 | Confident | 94 Ų | 94 | 60.3 Ų | 60.3 | 44% | 0.439 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 132.7 | -173.8 | -59.9 | -179 | 30 | 0 | 0 | 109.6 | V707 I719 V729 Q730 | V707-Q721 PolarHBondContact O-NE2 3.49Å; V707-Q721 VanDerWaalsContact O-NE2 3.09Å; I719-Q721 HydrophobicContact CG2-CG 4.07Å; Q721-V729 HydrophobicContact CB-CG1 3.85Å; Q721-V729 HydrophobicContact CG-CG1 4.44Å; Q721-Q730 WeakPolarHBondContact CA-O 3.31Å |
| 722 | E | 88.3 | Confident | 88.7 | Confident | 106 Ų | 106 | 61.8 Ų | 61.8 | 50% | 0.495 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 120.5 | -176.9 | -175.2 | 172.6 | -164 | 0 | 0 | 109.8 | V724 Q730 | E722-V724 PolarHBondContact O-N 3.34Å; E722-Q730 PolarHBondContact N-O 3.5Å; E722-Q730 PolarHBondContact O-N 3.33Å |
| 723 | T | 87.6 | Confident | 88.9 | Confident | 101 Ų | 101 | 61.5 Ų | 61.5 | 62% | 0.62 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 106.6 | 179.8 | -53.2 | 0 | 0 | 0 | 0 | 110.1 | S725 V728 | T723-S725 WeakPolarHBondContact CG2-O 3.44Å; T723-V728 CarbonylContact C-O 3.6Å |
| 724 | V | 85.4 | Confident | 89 | Confident | 90 Ų | 90 | 61.6 Ų | 61.6 | 55% | 0.545 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | -36.6 | -179.1 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | E722 V728 Q730 | E722-V724 PolarHBondContact O-N 3.34Å; V724-V728 PolarHBondContact N-O 3.41Å; V724-Q730 HydrophobicContact CG2-CB 3.49Å; V724-Q730 VanDerWaalsContact CG2-CB 3.49Å |
| 725 | S | 81.7 | Confident | 89 | Confident | 53 Ų | 53 | 60.3 Ų | 60.3 | 37% | 0.371 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 170.7 | 173.3 | 80.7 | 0 | 0 | 0 | 0 | 110.2 | T723 G727 V728 | T723-S725 WeakPolarHBondContact CG2-O 3.44Å; S725-G727 PolarHBondContact O-N 2.76Å; S725-V728 PolarHBondContact N-O 2.84Å; S725-V728 PolarHBondContact O-N 2.99Å; S725-V728 WeakPolarHBondContact OG-CB 3.49Å; S725-V728 WeakPolarHBondContact OG-CG2 3.29Å |
| 726 | P | 79.2 | Confident | 88.8 | Confident | 121 Ų | 121 | 61.4 Ų | 61.4 | 79% | 0.786 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 109.9 | -178 | -26.3 | 36.5 | 0 | 0 | 0 | 112.9 | ||
| 727 | G | 79.4 | Confident | 88.5 | Confident | 35 Ų | 35 | 57.6 Ų | 57.6 | 36% | 0.361 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | -1.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | A697 S698 S725 | A697-G727 CarbonylContact C-O 3.57Å; A697-G727 WeakPolarHBondContact CA-O 3.13Å; A697-G727 WeakPolarHBondContact CB-O 3.18Å; A697-G727 PolarHBondContact N-O 2.81Å; S698-G727 PolarHBondContact N-O 2.9Å; S725-G727 PolarHBondContact O-N 2.76Å |
| 728 | V | 90 | Very high | 88.2 | Confident | 13 Ų | 13 | 58.5 Ų | 58.5 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 117.9 | -179.5 | -170.3 | 0 | 0 | 0 | 0 | 110.5 | V694 D696 T723 V724 S725 | V694-V728 HydrophobicContact CG1-CG1 3.52Å; D696-V728 HydrophobicContact CB-CG1 4.3Å; D696-V728 HydrophobicContact CB-CG2 4.32Å; D696-V728 WeakPolarHBondContact OD2-CG2 3.37Å; T723-V728 CarbonylContact C-O 3.6Å; V724-V728 PolarHBondContact N-O 3.41Å; S725-V728 PolarHBondContact N-O 2.84Å; S725-V728 PolarHBondContact O-N 2.99Å; S725-V728 WeakPolarHBondContact OG-CB 3.49Å; S725-V728 WeakPolarHBondContact OG-CG2 3.29Å |
| 729 | V | 91.4 | Very high | 87.9 | Confident | 17 Ų | 17 | 56.8 Ų | 56.8 | 10% | 0.103 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 123.5 | -176.5 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | V694 V695 L705 Q721 | V694-V729 WeakPolarHBondContact CA-O 3.39Å; V695-V729 PolarHBondContact N-O 2.64Å; V695-V729 PolarHBondContact O-N 2.82Å; L705-V729 HydrophobicContact CD2-CB 4.49Å; L705-V729 HydrophobicContact CD2-CG2 3.95Å; Q721-V729 HydrophobicContact CB-CG1 3.85Å; Q721-V729 HydrophobicContact CG-CG1 4.44Å |
| 730 | Q | 93.2 | Very high | 87.7 | Confident | 65 Ų | 65 | 56.6 Ų | 56.6 | 30% | 0.304 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 125.5 | 167.2 | 179.8 | 176.1 | -105.5 | 0 | 0 | 109.2 | V694 Q721 E722 V724 | V694-Q730 HydrophobicContact CG2-CB 4.38Å; V694-Q730 HydrophobicContact CG2-CG 4.4Å; Q721-Q730 WeakPolarHBondContact CA-O 3.31Å; E722-Q730 PolarHBondContact N-O 3.5Å; E722-Q730 PolarHBondContact O-N 3.33Å; V724-Q730 HydrophobicContact CG2-CB 3.49Å; V724-Q730 VanDerWaalsContact CG2-CB 3.49Å |
| 731 | C | 95.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 136.2 | 178.3 | -61.9 | 0 | 0 | 0 | 0 | 109.7 | T692 F693 I719 A720 | T692-C731 WeakPolarHBondContact CA-O 3.48Å; F693-C731 HydrophobicContact CD1-CB 4.02Å; F693-C731 HydrophobicContact CD2-CB 3.74Å; F693-C731 HydrophobicContact CE1-CB 3.69Å; F693-C731 HydrophobicContact CE2-CB 3.38Å; F693-C731 HydrophobicContact CG-CB 4.05Å; F693-C731 HydrophobicContact CZ-CB 3.36Å; F693-C731 PolarHBondContact N-O 3.2Å; F693-C731 PolarHBondContact O-N 3.01Å; F693-C731 VanDerWaalsContact O-O 3.05Å; I719-C731 HydrophobicContact CG2-CB 3.73Å; A720-C731 WeakPolarHBondContact O-CA 3.41Å |
| 732 | Q | 92.1 | Very high | 87.9 | Confident | 43 Ų | 43 | 49.9 Ų | 49.9 | 20% | 0.201 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 135.1 | 179.9 | 64.4 | -163.4 | -36.6 | 0 | 0 | 110.7 | S691 T692 A720 | S691-Q732 WeakPolarHBondContact O-CA 3.34Å; T692-Q732 HydrophobicContact CG2-CB 3.97Å; A720-Q732 HydrophobicContact CB-CG 3.77Å; A720-Q732 PolarHBondContact N-O 2.68Å; A720-Q732 PolarHBondContact O-N 2.74Å |
| 733 | Y | 94.7 | Very high | 88.2 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 164.2 | 177.9 | 72.2 | -84.6 | 0 | 0 | 0 | 110.8 | G679 S691 F693 V717 P735 F743 I761 | G679-Y733 WeakPolarHBondContact O-CE1 3.48Å; G679-Y733 PolarHBondContact O-OH 3.13Å; G679-Y733 VanDerWaalsContact O-OH 3.1Å; S691-Y733 PolarHBondContact N-O 3.26Å; S691-Y733 PolarHBondContact O-N 2.8Å; F693-Y733 HydrophobicContact CD1-CD1 4.46Å; F693-Y733 HydrophobicContact CD1-CE1 4.32Å; F693-Y733 HydrophobicContact CE1-CD1 4.13Å; F693-Y733 HydrophobicContact CE1-CE1 4.21Å; V717-Y733 HydrophobicContact CG1-CD2 4.04Å; V717-Y733 HydrophobicContact CG1-CG 4.23Å; Y733-P735 HydrophobicContact CD2-CB 4.32Å; Y733-P735 HydrophobicContact CD2-CG 4.45Å; Y733-P735 HydrophobicContact CE2-CB 3.99Å; Y733-P735 HydrophobicContact CE2-CG 4.02Å; Y733-F743 HydrophobicContact CD1-CE1 4.03Å; Y733-F743 AromaticContact CD1-CZ 3.78Å; Y733-F743 HydrophobicContact CD1-CZ 3.78Å; Y733-F743 AromaticContact CD2-CZ 3.89Å; Y733-F743 HydrophobicContact CD2-CZ 3.89Å; Y733-F743 HydrophobicContact CE1-CE1 4.11Å; Y733-F743 AromaticContact CE1-CE2 3.9Å; Y733-F743 HydrophobicContact CE1-CE2 3.9Å; Y733-F743 AromaticContact CE1-CZ 3.48Å; Y733-F743 HydrophobicContact CE1-CZ 3.48Å; Y733-F743 VanDerWaalsContact CE1-CZ 3.48Å; Y733-F743 HydrophobicContact CE2-CE2 4.2Å; Y733-F743 AromaticContact CE2-CZ 3.62Å; Y733-F743 HydrophobicContact CE2-CZ 3.62Å; Y733-F743 HydrophobicContact CG-CE1 4.26Å; Y733-F743 AromaticContact CG-CZ 3.98Å; Y733-F743 HydrophobicContact CG-CZ 3.98Å; Y733-F743 AromaticContact CZ-CE2 3.68Å; Y733-F743 AromaticContact CZ-CZ 3.41Å; Y733-F743 VanDerWaalsContact CZ-CZ 3.41Å; Y733-I761 HydrophobicContact CE2-CD1 4.27Å |
| 734 | V | 90 | Very high | 88.5 | Confident | 64 Ų | 64 | 40 Ų | 40 | 39% | 0.388 | 24% | 0.236 | S | C | . | . | trans | -126.8 | 108.6 | 170.1 | -175.1 | 0 | 0 | 0 | 0 | 106.9 | Q736 | V734-Q736 PolarHBondContact O-N 2.88Å; V734-Q736 PolarHBondContact O-NE2 3.15Å | ||
| 735 | P | 86.2 | Confident | 88.9 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | trans | -67.8 | 128.8 | -180 | 28.4 | -32 | 0 | 0 | 0 | 109.9 | G688 T689 Y733 H741 I761 | G688-P735 PolarHBondContact N-O 3.26Å; T689-P735 VanDerWaalsContact O-CD 3.26Å; T689-P735 WeakPolarHBondContact O-CD 3.33Å; Y733-P735 HydrophobicContact CD2-CB 4.32Å; Y733-P735 HydrophobicContact CD2-CG 4.45Å; Y733-P735 HydrophobicContact CE2-CB 3.99Å; Y733-P735 HydrophobicContact CE2-CG 4.02Å; P735-H741 WeakPolarHBondContact CB-NE2 3.22Å; P735-I761 HydrophobicContact CB-CB 4.36Å; P735-I761 HydrophobicContact CB-CD1 3.78Å; P735-I761 HydrophobicContact CB-CG1 3.72Å; P735-I761 HydrophobicContact CB-CG2 3.79Å; P735-I761 HydrophobicContact CG-CD1 3.9Å; P735-I761 HydrophobicContact CG-CG1 4.27Å; P735-I761 HydrophobicContact CG-CG2 3.82Å | ||
| 736 | Q | 84.2 | Confident | 89.4 | Confident | 154 Ų | 154 | 33.4 Ų | 33.4 | 72% | 0.72 | 19% | 0.193 | S | C | * | . | trans | -92.6 | -14 | -173.3 | -59.4 | -58.4 | -63.3 | 0 | 0 | 113.5 | V734 | V734-Q736 PolarHBondContact O-N 2.88Å; V734-Q736 PolarHBondContact O-NE2 3.15Å | ||
| 737 | N | 84.5 | Confident | 89.9 | Confident | 44 Ų | 44 | 27.9 Ų | 27.9 | 24% | 0.235 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -140.3 | 161 | 176.9 | 60 | 44.9 | 0 | 0 | 0 | 110.2 | C687 D711 K739 H741 I761 | C687-N737 VanDerWaalsContact SG-C 3.6Å; D711-N737 PolarHBondContact OD2-ND2 3.13Å; N737-K739 VanDerWaalsContact C-N 3.27Å; N737-K739 HydrophobicContact CB-CG 4.47Å; N737-K739 PolarHBondContact O-N 2.85Å; N737-K739 WeakPolarHBondContact OD1-CB 3.2Å; N737-K739 PolarHBondContact OD1-N 2.84Å; N737-H741 PolarHBondContact OD1-CE1 2.99Å; N737-I761 WeakPolarHBondContact O-CG2 3.48Å |
| 738 | A | 83.7 | Confident | 90.3 | Very high | 40 Ų | 40 | 26.9 Ų | 26.9 | 33% | 0.331 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -90.7 | 55.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | C687 I761 E763 | C687-A738 HydrophobicContact CB-CB 4.28Å; A738-I761 CarbonylContact C-O 3.39Å; A738-I761 WeakPolarHBondContact CA-O 3.47Å; A738-E763 HydrophobicContact CB-CB 4.34Å; A738-E763 HydrophobicContact CB-CG 3.49Å; A738-E763 VanDerWaalsContact CB-CG 3.49Å |
| 739 | K | 85.1 | Confident | 90.1 | Very high | 73 Ų | 73 | 28.9 Ų | 28.9 | 32% | 0.317 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -109.8 | 168 | 176 | -63.9 | -174.2 | 164.6 | -172.8 | 0 | 111.1 | D713 N737 H741 I761 | D713-K739 IonicContact OD1-NZ 3.22Å; D713-K739 PolarHBondContact OD1-NZ 3.13Å; D713-K739 IonicContact OD2-NZ 3.56Å; D713-K739 PolarHBondContact OD2-NZ 2.78Å; N737-K739 VanDerWaalsContact C-N 3.27Å; N737-K739 HydrophobicContact CB-CG 4.47Å; N737-K739 PolarHBondContact O-N 2.85Å; N737-K739 WeakPolarHBondContact OD1-CB 3.2Å; N737-K739 PolarHBondContact OD1-N 2.84Å; K739-H741 PolarHBondContact O-N 2.89Å; K739-H741 PolarHBondContact O-ND1 3.01Å; K739-H741 VanDerWaalsContact O-ND1 3.14Å; K739-I761 WeakPolarHBondContact O-CB 3.49Å; K739-I761 WeakPolarHBondContact O-CG1 3.45Å; K739-I761 PolarHBondContact O-N 2.62Å |
| 740 | A | 87.3 | Confident | 89.9 | Confident | 20 Ų | 20 | 28.8 Ų | 28.8 | 17% | 0.165 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 138.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | D711 S712 Y760 | D711-A740 CarbonylContact C-O 3.58Å; D711-A740 WeakPolarHBondContact CA-O 3.43Å; S712-A740 PolarHBondContact N-O 2.99Å; A740-Y760 HydrophobicContact CB-CD1 4.05Å; A740-Y760 HydrophobicContact CB-CE1 4.35Å |
| 741 | H | 92.7 | Very high | 89.7 | Confident | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.019 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 132.1 | 171.6 | -73.7 | 37.4 | 0 | 0 | 0 | 108.4 | Y710 P735 N737 K739 F743 V759 I761 | Y710-H741 CarbonylContact O-C 3.52Å; Y710-H741 WeakPolarHBondContact O-CA 3.2Å; P735-H741 WeakPolarHBondContact CB-NE2 3.22Å; N737-H741 PolarHBondContact OD1-CE1 2.99Å; K739-H741 PolarHBondContact O-N 2.89Å; K739-H741 PolarHBondContact O-ND1 3.01Å; K739-H741 VanDerWaalsContact O-ND1 3.14Å; H741-F743 HydrophobicContact CB-CE2 3.75Å; H741-F743 HydrophobicContact CB-CZ 4.13Å; H741-V759 PolarHBondContact N-O 2.79Å; H741-V759 PolarHBondContact O-N 2.86Å; H741-I761 HydrophobicContact CB-CG1 4.34Å; H741-I761 WeakPolarHBondContact ND1-CG1 3.36Å |
| 742 | S | 93.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 112.5 | -177.3 | -73 | 0 | 0 | 0 | 0 | 110.2 | G709 Y710 F744 | G709-S742 VanDerWaalsContact CA-O 3.27Å; G709-S742 WeakPolarHBondContact CA-O 3.3Å; Y710-S742 PolarHBondContact N-O 2.84Å; Y710-S742 PolarHBondContact O-N 3.45Å; S742-F744 WeakPolarHBondContact O-CD2 3.45Å |
| 743 | F | 94.9 | Very high | 89 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 127.9 | -176.3 | -65.9 | -81.9 | 0 | 0 | 0 | 111.5 | L680 F693 C708 V717 I719 Y733 H741 P756 F757 V759 | L680-F743 HydrophobicContact CD2-CB 3.94Å; L680-F743 HydrophobicContact CD2-CD2 3.96Å; L680-F743 HydrophobicContact CD2-CG 4.01Å; F693-F743 HydrophobicContact CE1-CD1 4.41Å; F693-F743 HydrophobicContact CZ-CD1 4.47Å; C708-F743 CarbonylContact O-C 3.55Å; C708-F743 WeakPolarHBondContact O-CA 3.4Å; V717-F743 HydrophobicContact CB-CE1 4.33Å; V717-F743 HydrophobicContact CG1-CE1 4Å; V717-F743 HydrophobicContact CG1-CZ 4.2Å; I719-F743 HydrophobicContact CD1-CD1 3.59Å; I719-F743 HydrophobicContact CD1-CE1 3.71Å; I719-F743 HydrophobicContact CG1-CD1 4.39Å; I719-F743 HydrophobicContact CG1-CE1 4.01Å; Y733-F743 HydrophobicContact CD1-CE1 4.03Å; Y733-F743 AromaticContact CD1-CZ 3.78Å; Y733-F743 HydrophobicContact CD1-CZ 3.78Å; Y733-F743 AromaticContact CD2-CZ 3.89Å; Y733-F743 HydrophobicContact CD2-CZ 3.89Å; Y733-F743 HydrophobicContact CE1-CE1 4.11Å; Y733-F743 AromaticContact CE1-CE2 3.9Å; Y733-F743 HydrophobicContact CE1-CE2 3.9Å; Y733-F743 AromaticContact CE1-CZ 3.48Å; Y733-F743 HydrophobicContact CE1-CZ 3.48Å; Y733-F743 VanDerWaalsContact CE1-CZ 3.48Å; Y733-F743 HydrophobicContact CE2-CE2 4.2Å; Y733-F743 AromaticContact CE2-CZ 3.62Å; Y733-F743 HydrophobicContact CE2-CZ 3.62Å; Y733-F743 HydrophobicContact CG-CE1 4.26Å; Y733-F743 AromaticContact CG-CZ 3.98Å; Y733-F743 HydrophobicContact CG-CZ 3.98Å; Y733-F743 AromaticContact CZ-CE2 3.68Å; Y733-F743 AromaticContact CZ-CZ 3.41Å; Y733-F743 VanDerWaalsContact CZ-CZ 3.41Å; H741-F743 HydrophobicContact CB-CE2 3.75Å; H741-F743 HydrophobicContact CB-CZ 4.13Å; F743-P756 CarbonylContact O-C 3.5Å; F743-P756 VanDerWaalsContact O-CA 3.29Å; F743-P756 WeakPolarHBondContact O-CA 3.48Å; F743-F757 HydrophobicContact CB-CB 4.32Å; F743-F757 PolarHBondContact N-O 3.14Å; F743-F757 PolarHBondContact O-N 3.16Å; F743-V759 HydrophobicContact CD2-CG2 4.05Å; F743-V759 HydrophobicContact CE2-CB 4.32Å; F743-V759 HydrophobicContact CE2-CG2 4.12Å |
| 744 | F | 95.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 133.8 | -178.7 | -64.4 | -97.6 | 0 | 0 | 0 | 110.6 | F581 P583 T597 V707 C708 Y710 S742 S755 P756 | F581-F744 AromaticContact CD2-CE2 3.9Å; F581-F744 HydrophobicContact CD2-CE2 3.9Å; F581-F744 HydrophobicContact CD2-CZ 4.22Å; F581-F744 HydrophobicContact CE2-CE2 4.25Å; F581-F744 WeakPolarHBondContact O-CZ 3.47Å; P583-F744 HydrophobicContact CG-CB 4.22Å; P583-F744 HydrophobicContact CG-CD1 3.99Å; P583-F744 HydrophobicContact CG-CG 4.38Å; T597-F744 WeakPolarHBondContact OG1-CZ 3.48Å; V707-F744 WeakPolarHBondContact CA-O 3.49Å; C708-F744 PolarHBondContact N-O 3.04Å; C708-F744 PolarHBondContact O-N 2.89Å; Y710-F744 AromaticContact CD2-CD2 3.97Å; Y710-F744 HydrophobicContact CD2-CD2 3.97Å; Y710-F744 AromaticContact CD2-CE2 3.89Å; Y710-F744 HydrophobicContact CD2-CE2 3.89Å; Y710-F744 HydrophobicContact CE2-CD2 4.16Å; Y710-F744 HydrophobicContact CE2-CE2 4.4Å; S742-F744 WeakPolarHBondContact O-CD2 3.45Å; F744-S755 WeakPolarHBondContact CA-OG 3.31Å; F744-P756 HydrophobicContact CD1-CB 3.86Å; F744-P756 HydrophobicContact CE1-CB 3.63Å; F744-P756 HydrophobicContact CE1-CG 4.03Å; F744-P756 HydrophobicContact CE2-CB 4.31Å; F744-P756 HydrophobicContact CG-CB 4.33Å; F744-P756 HydrophobicContact CZ-CB 3.88Å; F744-P756 HydrophobicContact CZ-CG 4.38Å |
| 745 | V | 93.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 126.7 | 174.3 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | V673 V695 L705 H706 V707 I752 S755 F757 | V673-V745 HydrophobicContact CG1-CG1 4.43Å; V695-V745 HydrophobicContact CG1-CG1 4.01Å; V695-V745 HydrophobicContact CG2-CG2 4.46Å; L705-V745 HydrophobicContact CD1-CG1 3.98Å; H706-V745 WeakPolarHBondContact O-CA 3.26Å; V707-V745 HydrophobicContact CG1-CG2 4.18Å; V707-V745 HydrophobicContact CG2-CG1 4.27Å; V707-V745 HydrophobicContact CG2-CG2 4.12Å; V745-I752 HydrophobicContact CB-CD1 3.73Å; V745-I752 HydrophobicContact CB-CG1 3.8Å; V745-I752 HydrophobicContact CG1-CD1 3.65Å; V745-I752 HydrophobicContact CG1-CG1 3.95Å; V745-I752 HydrophobicContact CG1-CG2 4.16Å; V745-I752 PolarHBondContact O-N 2.97Å; V745-S755 PolarHBondContact N-OG 3.05Å; V745-F757 HydrophobicContact CB-CE2 4.48Å; V745-F757 HydrophobicContact CG2-CD2 4.48Å; V745-F757 HydrophobicContact CG2-CE2 4.14Å |
| 746 | T | 91.9 | Very high | 88.8 | Confident | 4 Ų | 4 | 28.6 Ų | 28.6 | 3% | 0.025 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 155.9 | 175.4 | 71.9 | 0 | 0 | 0 | 0 | 111 | P583 H706 Q750 | P583-T746 HydrophobicContact CB-CG2 3.67Å; P583-T746 HydrophobicContact CG-CG2 3.52Å; H706-T746 PolarHBondContact N-O 3Å; H706-T746 PolarHBondContact O-N 2.79Å; T746-Q750 CarbonylContact C-O 3.23Å; T746-Q750 WeakPolarHBondContact CA-O 3.47Å; T746-Q750 WeakPolarHBondContact CB-O 3.42Å |
| 747 | M | 88.6 | Confident | 89.1 | Confident | 5 Ų | 5 | 22.9 Ų | 22.9 | 3% | 0.025 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 119.4 | 176.7 | 179.3 | 67.4 | 88.3 | 0 | 0 | 108.8 | C668 P670 V673 A697 A700 D704 L705 N749 Q750 I752 | C668-M747 WeakPolarHBondContact SG-CG 3.34Å; P670-M747 HydrophobicContact CB-CB 4.11Å; P670-M747 HydrophobicContact CG-CB 4.18Å; P670-M747 HydrophobicContact CG-CG 4.49Å; V673-M747 HydrophobicContact CG2-CB 4.38Å; V673-M747 HydrophobicContact CG2-CE 3.99Å; A697-M747 HydrophobicContact CB-CE 3.43Å; A697-M747 VanDerWaalsContact CB-CE 3.43Å; A700-M747 HydrophobicContact CB-CE 4.11Å; D704-M747 VanDerWaalsContact C-SD 3.59Å; D704-M747 CarbonylContact O-C 3.58Å; D704-M747 WeakPolarHBondContact O-CA 3.43Å; L705-M747 HydrophobicContact CB-CE 3.86Å; L705-M747 HydrophobicContact CB-SD 4Å; L705-M747 HydrophobicContact CD1-CE 3.89Å; L705-M747 HydrophobicContact CG-CE 4.38Å; M747-N749 PolarHBondContact O-N 2.93Å; M747-Q750 PolarHBondContact N-O 2.79Å; M747-Q750 WeakPolarHBondContact O-CB 3.46Å; M747-Q750 PolarHBondContact O-N 2.73Å; M747-I752 HydrophobicContact CB-CG2 4.43Å |
| 748 | D | 87 | Confident | 89.4 | Confident | 14 Ų | 14 | 21.9 Ų | 21.9 | 8% | 0.075 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 40.6 | -170.3 | -107.9 | -17.6 | 0 | 0 | 0 | 112.4 | V589 K665 D704 Q750 | V589-D748 WeakPolarHBondContact CG2-O 3.23Å; K665-D748 IonicContact NZ-OD1 2.68Å; K665-D748 PolarHBondContact NZ-OD1 2.84Å; D704-D748 PolarHBondContact O-N 2.8Å; D748-Q750 PolarHBondContact O-N 2.9Å |
| 749 | N | 87 | Confident | 89.8 | Confident | 55 Ų | 55 | 20 Ų | 20 | 29% | 0.294 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 7.2 | -173.3 | -51.2 | -94.2 | 0 | 0 | 0 | 115.7 | R587 V589 M747 | R587-N749 HydrophobicContact CB-CB 4.39Å; R587-N749 WeakPolarHBondContact CB-OD1 3.38Å; V589-N749 HydrophobicContact CG2-CB 4.2Å; M747-N749 PolarHBondContact O-N 2.93Å |
| 750 | Q | 87.5 | Confident | 89.9 | Confident | 14 Ų | 14 | 19.4 Ų | 19.4 | 7% | 0.065 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 127.5 | 175.2 | -58.2 | 168.9 | 90.2 | 0 | 0 | 109.9 | V589 K592 P670 T746 M747 D748 | V589-Q750 HydrophobicContact CB-CG 4.07Å; V589-Q750 HydrophobicContact CG1-CG 4.42Å; V589-Q750 HydrophobicContact CG2-CG 3.88Å; K592-Q750 HydrophobicContact CB-CG 4.2Å; K592-Q750 HydrophobicContact CD-CG 4.38Å; K592-Q750 HydrophobicContact CG-CG 3.93Å; P670-Q750 HydrophobicContact CB-CB 4.23Å; P670-Q750 HydrophobicContact CG-CB 3.63Å; P670-Q750 HydrophobicContact CG-CG 4.27Å; T746-Q750 CarbonylContact C-O 3.23Å; T746-Q750 WeakPolarHBondContact CA-O 3.47Å; T746-Q750 WeakPolarHBondContact CB-O 3.42Å; M747-Q750 PolarHBondContact N-O 2.79Å; M747-Q750 WeakPolarHBondContact O-CB 3.46Å; M747-Q750 PolarHBondContact O-N 2.73Å; D748-Q750 PolarHBondContact O-N 2.9Å |
| 751 | S | 87.5 | Confident | 89.9 | Confident | 13 Ų | 13 | 18.9 Ų | 18.9 | 9% | 0.091 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 133.3 | 177.8 | -44.5 | 0 | 0 | 0 | 0 | 111.5 | P593 K595 | P593-S751 PolarHBondContact O-OG 2.88Å; K595-S751 WeakPolarHBondContact CG-OG 3.32Å |
| 752 | I | 89.6 | Confident | 89.3 | Confident | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | trans | -77.2 | 177.5 | 178.9 | 70.8 | 156 | 0 | 0 | 0 | 112.1 | K595 P670 V673 C675 V745 M747 F757 | K595-I752 PolarHBondContact NZ-O 3.26Å; P670-I752 HydrophobicContact CB-CG2 4.22Å; P670-I752 WeakPolarHBondContact O-CG2 3.41Å; V673-I752 HydrophobicContact CB-CB 4.33Å; V673-I752 HydrophobicContact CB-CD1 4.23Å; V673-I752 HydrophobicContact CB-CG2 3.81Å; V673-I752 HydrophobicContact CG1-CD1 3.93Å; V673-I752 HydrophobicContact CG1-CG2 4.16Å; V673-I752 HydrophobicContact CG2-CG2 4.03Å; C675-I752 WeakPolarHBondContact SG-CD1 3.46Å; V745-I752 HydrophobicContact CB-CD1 3.73Å; V745-I752 HydrophobicContact CB-CG1 3.8Å; V745-I752 HydrophobicContact CG1-CD1 3.65Å; V745-I752 HydrophobicContact CG1-CG1 3.95Å; V745-I752 HydrophobicContact CG1-CG2 4.16Å; V745-I752 PolarHBondContact O-N 2.97Å; M747-I752 HydrophobicContact CB-CG2 4.43Å; I752-F757 HydrophobicContact CD1-CE2 4.14Å; I752-F757 HydrophobicContact CD1-CZ 4.15Å | ||
| 753 | S | 83.1 | Confident | 88.3 | Confident | 87 Ų | 87 | 26.6 Ų | 26.6 | 61% | 0.608 | 15% | 0.15 | S | C | * | . | S | Bend | trans | -67.1 | 149.4 | 168.8 | -162.3 | 0 | 0 | 0 | 0 | 111.1 | S755 | S753-S755 PolarHBondContact O-N 3.35Š|
| 754 | G | 83.7 | Confident | 87 | Confident | 48 Ų | 48 | 29.3 Ų | 29.3 | 50% | 0.495 | 17% | 0.167 | S | C | . | . | S | Bend | trans | 72.6 | -26.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | P756 | G754-P756 CarbonylContact O-C 3.6Å; G754-P756 VanDerWaalsContact O-O 3.1Å |
| 755 | S | 90.3 | Very high | 85.7 | Confident | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | trans | -69.2 | 137.8 | 174.8 | -177.4 | 0 | 0 | 0 | 0 | 111.6 | K595 F744 V745 S753 | K595-S755 WeakPolarHBondContact CD-O 3.34Å; K595-S755 WeakPolarHBondContact CE-O 3.45Å; K595-S755 PolarHBondContact NZ-O 2.85Å; F744-S755 WeakPolarHBondContact CA-OG 3.31Å; V745-S755 PolarHBondContact N-OG 3.05Å; S753-S755 PolarHBondContact O-N 3.35Å | ||
| 756 | P | 92.6 | Very high | 84.8 | Confident | 19 Ų | 19 | 34 Ų | 34 | 12% | 0.123 | 19% | 0.192 | C | C | . | . | S | Bend | cis | -74 | 140.9 | -4 | 30.4 | -34.2 | 0 | 0 | 0 | 113.8 | D630 F743 F744 G754 | D630-P756 WeakPolarHBondContact OD2-CG 3.49Å; F743-P756 CarbonylContact O-C 3.5Å; F743-P756 VanDerWaalsContact O-CA 3.29Å; F743-P756 WeakPolarHBondContact O-CA 3.48Å; F744-P756 HydrophobicContact CD1-CB 3.86Å; F744-P756 HydrophobicContact CE1-CB 3.63Å; F744-P756 HydrophobicContact CE1-CG 4.03Å; F744-P756 HydrophobicContact CE2-CB 4.31Å; F744-P756 HydrophobicContact CG-CB 4.33Å; F744-P756 HydrophobicContact CZ-CB 3.88Å; F744-P756 HydrophobicContact CZ-CG 4.38Å; G754-P756 CarbonylContact O-C 3.6Å; G754-P756 VanDerWaalsContact O-O 3.1Å |
| 757 | F | 92.2 | Very high | 84.2 | Confident | 34 Ų | 34 | 34.8 Ų | 34.8 | 15% | 0.149 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 106.7 | 174.1 | -56.9 | -86.8 | 0 | 0 | 0 | 109.2 | C675 L680 F743 V745 I752 | C675-F757 HydrophobicContact CB-CE1 4.07Å; C675-F757 HydrophobicContact CB-CE2 3.98Å; C675-F757 HydrophobicContact CB-CZ 3.57Å; L680-F757 HydrophobicContact CB-CB 4.47Å; L680-F757 HydrophobicContact CD1-CB 4.45Å; L680-F757 HydrophobicContact CD1-CD1 4.26Å; L680-F757 HydrophobicContact CD1-CD2 4.22Å; L680-F757 HydrophobicContact CD1-CG 4.06Å; L680-F757 HydrophobicContact CD2-CB 3.86Å; L680-F757 HydrophobicContact CD2-CG 4.32Å; L680-F757 HydrophobicContact CG-CB 4.48Å; F743-F757 HydrophobicContact CB-CB 4.32Å; F743-F757 PolarHBondContact N-O 3.14Å; F743-F757 PolarHBondContact O-N 3.16Å; V745-F757 HydrophobicContact CB-CE2 4.48Å; V745-F757 HydrophobicContact CG2-CD2 4.48Å; V745-F757 HydrophobicContact CG2-CE2 4.14Å; I752-F757 HydrophobicContact CD1-CE2 4.14Å; I752-F757 HydrophobicContact CD1-CZ 4.15Å |
| 758 | R | 90.2 | Very high | 83.7 | Confident | 23 Ų | 23 | 41 Ų | 41 | 9% | 0.087 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 129.1 | 179.5 | -71.9 | 159.4 | 159.6 | -81.8 | -13.4 | 111.3 | N624 D626 S628 D630 R682 | N624-R758 VanDerWaalsContact CG-CZ 3.41Å; N624-R758 PolarHBondContact ND2-NH2 2.69Å; N624-R758 PolarHBondContact OD1-NE 2.89Å; D626-R758 IonicContact OD1-NH1 2.74Å; D626-R758 IonicContact OD2-NH1 2.81Å; D626-R758 PolarHBondContact OD2-NH1 2.82Å; S628-R758 VanDerWaalsContact OG-CZ 3.23Å; S628-R758 PolarHBondContact OG-NH1 2.82Å; S628-R758 PolarHBondContact OG-NH2 2.75Å; D630-R758 VanDerWaalsContact CG-NE 3.31Å; D630-R758 IonicContact OD1-CZ 3.83Å; D630-R758 IonicContact OD1-NE 2.79Å; D630-R758 PolarHBondContact OD1-NE 3.01Å; D630-R758 IonicContact OD1-NH2 3.79Å; D630-R758 PolarHBondContact OD1-NH2 2.84Å; D630-R758 IonicContact OD2-CZ 2.86Å; D630-R758 IonicContact OD2-NE 3.29Å; D630-R758 PolarHBondContact OD2-NE 3.1Å; D630-R758 IonicContact OD2-NH2 3.13Å; R682-R758 WeakPolarHBondContact CA-O 3.39Å |
| 759 | V | 91.2 | Very high | 83.5 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 115.6 | -179.4 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | A681 N685 H741 F743 I761 | A681-V759 WeakPolarHBondContact O-CG1 3.44Å; N685-V759 HydrophobicContact CB-CG1 3.92Å; H741-V759 PolarHBondContact N-O 2.79Å; H741-V759 PolarHBondContact O-N 2.86Å; F743-V759 HydrophobicContact CD2-CG2 4.05Å; F743-V759 HydrophobicContact CE2-CB 4.32Å; F743-V759 HydrophobicContact CE2-CG2 4.12Å; V759-I761 HydrophobicContact CG1-CD1 3.68Å; V759-I761 PolarHBondContact O-N 2.85Å |
| 760 | Y | 88.4 | Confident | 83.6 | Confident | 59 Ų | 59 | 40.7 Ų | 40.7 | 23% | 0.231 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 109.2 | 172 | -50.8 | -67.8 | 0 | 0 | 0 | 109.1 | D626 R682 T683 A740 Q762 | D626-Y760 HydrophobicContact CB-CE1 4.34Å; D626-Y760 WeakPolarHBondContact OD2-CE1 3.49Å; D626-Y760 PolarHBondContact OD2-OH 3.24Å; R682-Y760 HydrophobicContact CG-CD2 4Å; R682-Y760 HydrophobicContact CG-CE2 3.75Å; R682-Y760 PolarHBondContact NH2-OH 2.81Å; R682-Y760 VanDerWaalsContact O-CD2 3.31Å; R682-Y760 WeakPolarHBondContact O-CD2 3.5Å; R682-Y760 PolarHBondContact O-N 2.63Å; T683-Y760 HydrophobicContact CG2-CD2 4.13Å; A740-Y760 HydrophobicContact CB-CD1 4.05Å; A740-Y760 HydrophobicContact CB-CE1 4.35Å; Y760-Q762 PolarHBondContact O-N 2.93Å |
| 761 | I | 87.8 | Confident | 83.5 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 5% | 0.046 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 122.1 | 177.8 | -54 | -57.8 | 0 | 0 | 0 | 109.4 | N685 C687 Y733 P735 N737 A738 K739 H741 V759 | N685-I761 HydrophobicContact CB-CD1 3.83Å; N685-I761 WeakPolarHBondContact O-CA 3.45Å; C687-I761 HydrophobicContact CB-CG2 3.86Å; C687-I761 VanDerWaalsContact N-CG2 3.32Å; Y733-I761 HydrophobicContact CE2-CD1 4.27Å; P735-I761 HydrophobicContact CB-CB 4.36Å; P735-I761 HydrophobicContact CB-CD1 3.78Å; P735-I761 HydrophobicContact CB-CG1 3.72Å; P735-I761 HydrophobicContact CB-CG2 3.79Å; P735-I761 HydrophobicContact CG-CD1 3.9Å; P735-I761 HydrophobicContact CG-CG1 4.27Å; P735-I761 HydrophobicContact CG-CG2 3.82Å; N737-I761 WeakPolarHBondContact O-CG2 3.48Å; A738-I761 CarbonylContact C-O 3.39Å; A738-I761 WeakPolarHBondContact CA-O 3.47Å; K739-I761 WeakPolarHBondContact O-CB 3.49Å; K739-I761 WeakPolarHBondContact O-CG1 3.45Å; K739-I761 PolarHBondContact O-N 2.62Å; H741-I761 HydrophobicContact CB-CG1 4.34Å; H741-I761 WeakPolarHBondContact ND1-CG1 3.36Å; V759-I761 HydrophobicContact CG1-CD1 3.68Å; V759-I761 PolarHBondContact O-N 2.85Å |
| 762 | Q | 79.1 | Confident | 83.6 | Confident | 72 Ų | 72 | 48.8 Ų | 48.8 | 34% | 0.336 | 26% | 0.257 | S | S | . | . | B | Isolated β-bridge | trans | -82.1 | 145 | 179.2 | -69.7 | 177.1 | -36.1 | 0 | 0 | 111.4 | N685 I686 C687 Y760 P798 | N685-Q762 PolarHBondContact O-N 2.95Å; I686-Q762 WeakPolarHBondContact CA-O 3.44Å; C687-Q762 PolarHBondContact N-O 3.48Å; Y760-Q762 PolarHBondContact O-N 2.93Å; Q762-P798 HydrophobicContact CB-CG 4.28Å |
| 763 | E | 72.6 | Confident | 83.5 | Confident | 95 Ų | 95 | 54.2 Ų | 54.2 | 44% | 0.444 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 145.1 | 164.7 | -81.9 | -155.7 | -157 | 0 | 0 | 111 | A738 C765 K766 P798 | A738-E763 HydrophobicContact CB-CB 4.34Å; A738-E763 HydrophobicContact CB-CG 3.49Å; A738-E763 VanDerWaalsContact CB-CG 3.49Å; E763-C765 PolarHBondContact O-N 3.35Å; E763-K766 IonicContact OE2-NZ 3.27Å; E763-K766 PolarHBondContact OE2-NZ 2.99Å; E763-P798 WeakPolarHBondContact O-CD 3.32Å; E763-P798 VanDerWaalsContact O-CG 3.29Å; E763-P798 WeakPolarHBondContact O-CG 3.43Å |
| 764 | P | 68.5 | Low | 83.6 | Confident | 57 Ų | 57 | 50.6 Ų | 50.6 | 37% | 0.37 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 133.7 | 173.1 | 29 | -34.5 | 0 | 0 | 0 | 110.5 | I686 K766 | I686-P764 HydrophobicContact CG2-CB 3.94Å; P764-K766 WeakPolarHBondContact O-CE 3.33Å; P764-K766 WeakPolarHBondContact O-CG 3.35Å |
| 765 | C | 67 | Low | 83.6 | Confident | 38 Ų | 38 | 51 Ų | 51 | 26% | 0.257 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 132.4 | 177.4 | -171 | 0 | 0 | 0 | 0 | 111.9 | E763 P767 P798 | E763-C765 PolarHBondContact O-N 3.35Å; C765-P767 WeakPolarHBondContact O-CD 3.09Å; C765-P798 VanDerWaalsContact CB-O 3.27Å; C765-P798 WeakPolarHBondContact CB-O 3.46Å; C765-P798 PolarHBondContact SG-O 3.42Å |
| 766 | K | 75.8 | Confident | 83.3 | Confident | 59 Ų | 59 | 50.9 Ų | 50.9 | 26% | 0.257 | 25% | 0.253 | S | S | . | . | trans | -124.3 | 68.2 | -176.8 | -55.5 | 156.2 | -150.9 | 154.5 | 0 | 111 | E763 P764 H768 L769 A796 | E763-K766 IonicContact OE2-NZ 3.27Å; E763-K766 PolarHBondContact OE2-NZ 2.99Å; P764-K766 WeakPolarHBondContact O-CE 3.33Å; P764-K766 WeakPolarHBondContact O-CG 3.35Å; K766-H768 PolarHBondContact O-N 3.39Å; K766-L769 HydrophobicContact CB-CD1 3.94Å; K766-L769 HydrophobicContact CB-CG 4.24Å; K766-L769 HydrophobicContact CD-CD1 3.8Å; K766-L769 HydrophobicContact CG-CD1 4.43Å; K766-L769 PolarHBondContact O-N 2.89Å; K766-A796 PolarHBondContact N-O 2.87Å; K766-A796 WeakPolarHBondContact O-CB 3.16Å | ||
| 767 | P | 77.7 | Confident | 83.1 | Confident | 21 Ų | 21 | 51.7 Ų | 51.7 | 14% | 0.136 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -55.3 | -21.5 | -175 | -28.9 | 36.9 | 0 | 0 | 0 | 116.1 | C765 L769 V770 F844 K847 | C765-P767 WeakPolarHBondContact O-CD 3.09Å; P767-L769 PolarHBondContact O-N 2.82Å; P767-V770 WeakPolarHBondContact O-CB 3.45Å; P767-V770 PolarHBondContact O-N 3.35Å; P767-F844 HydrophobicContact CB-CB 4.26Å; P767-F844 HydrophobicContact CB-CD1 4.48Å; P767-F844 HydrophobicContact CG-CD1 4.32Å; P767-F844 WeakPolarHBondContact CG-O 3.4Å; P767-K847 HydrophobicContact CB-CB 4.4Å; P767-K847 HydrophobicContact CG-CB 4.38Å |
| 768 | H | 78.2 | Confident | 82.6 | Confident | 137 Ų | 137 | 55.8 Ų | 55.8 | 63% | 0.634 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -72.3 | -10.3 | 177.6 | 65.6 | -91.1 | 0 | 0 | 0 | 114.3 | K766 | K766-H768 PolarHBondContact O-N 3.39Š|
| 769 | L | 84.6 | Confident | 81.8 | Confident | 60 Ų | 60 | 59.7 Ų | 59.7 | 31% | 0.314 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -96.4 | -5.1 | 174 | -59.4 | 177.8 | 0 | 0 | 0 | 112.8 | K766 P767 E795 A796 | K766-L769 HydrophobicContact CB-CD1 3.94Å; K766-L769 HydrophobicContact CB-CG 4.24Å; K766-L769 HydrophobicContact CD-CD1 3.8Å; K766-L769 HydrophobicContact CG-CD1 4.43Å; K766-L769 PolarHBondContact O-N 2.89Å; P767-L769 PolarHBondContact O-N 2.82Å; L769-E795 HydrophobicContact CB-CB 4.13Å; L769-E795 HydrophobicContact CD1-CB 4.19Å; L769-E795 WeakPolarHBondContact CD1-O 3.33Å; L769-A796 HydrophobicContact CB-CB 4.43Å |
| 770 | V | 87.6 | Confident | 81.1 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | trans | -69.8 | 134.8 | 175 | -179 | 0 | 0 | 0 | 0 | 109.9 | P767 V791 D792 C793 A796 F844 I849 | P767-V770 WeakPolarHBondContact O-CB 3.45Å; P767-V770 PolarHBondContact O-N 3.35Å; V770-V791 HydrophobicContact CG1-CG1 3.38Å; V770-D792 WeakPolarHBondContact CA-O 3.4Å; V770-C793 HydrophobicContact CG2-CB 4.36Å; V770-A796 HydrophobicContact CG2-CB 3.39Å; V770-F844 HydrophobicContact CG2-CB 3.88Å; V770-F844 HydrophobicContact CG2-CD1 3.68Å; V770-F844 HydrophobicContact CG2-CD2 4.45Å; V770-F844 HydrophobicContact CG2-CE1 4.29Å; V770-F844 HydrophobicContact CG2-CG 3.76Å; V770-I849 HydrophobicContact CB-CB 4.2Å; V770-I849 HydrophobicContact CB-CG2 3.87Å; V770-I849 HydrophobicContact CG1-CB 4.25Å; V770-I849 HydrophobicContact CG1-CD1 3.93Å; V770-I849 HydrophobicContact CG1-CG2 3.83Å; V770-I849 HydrophobicContact CG2-CG2 4.31Å | ||
| 771 | R | 85.8 | Confident | 80.9 | Confident | 174 Ų | 174 | 58.8 Ų | 58.8 | 66% | 0.657 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 120.7 | -178.5 | -51.3 | -175 | 74.3 | -143.8 | 1.4 | 110.2 | V791 D792 | R771-V791 WeakPolarHBondContact O-CA 3.49Å; R771-D792 PolarHBondContact N-O 2.76Å; R771-D792 PolarHBondContact O-N 3.36Å |
| 772 | A | 89.7 | Confident | 80.6 | Confident | 23 Ų | 23 | 61.5 Ų | 61.5 | 19% | 0.19 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 133.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L777 F789 F790 V791 I849 F854 | A772-L777 HydrophobicContact CB-CD1 3.93Å; A772-F789 HydrophobicContact CB-CD2 4.37Å; A772-F789 HydrophobicContact CB-CE2 4.44Å; A772-F790 CarbonylContact C-O 3.37Å; A772-F790 VanDerWaalsContact CA-O 3.27Å; A772-F790 WeakPolarHBondContact CA-O 3.37Å; A772-V791 HydrophobicContact CB-CG2 4.14Å; A772-I849 HydrophobicContact CB-CD1 3.64Å; A772-F854 HydrophobicContact CB-CZ 4.22Å |
| 773 | M | 86.9 | Confident | 80.7 | Confident | 117 Ų | 117 | 58.3 Ų | 58.3 | 58% | 0.576 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 151.4 | -178.5 | 58.2 | -169.6 | -63.5 | 0 | 0 | 112.3 | F790 | M773-F790 PolarHBondContact N-O 3.3Å; M773-F790 WeakPolarHBondContact O-CB 3.36Å; M773-F790 WeakPolarHBondContact O-CD2 3.14Å; M773-F790 PolarHBondContact O-N 2.82Å |
| 774 | G | 86.5 | Confident | 80.9 | Confident | 12 Ų | 12 | 57.8 Ų | 57.8 | 12% | 0.124 | 32% | 0.315 | C | S | . | . | S | Bend | trans | 134.8 | 175.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G776 L777 | G774-G776 PolarHBondContact O-N 2.72Å; G774-L777 PolarHBondContact O-N 2.83Å |
| 775 | P | 82.5 | Confident | 81.3 | Confident | 57 Ų | 57 | 59 Ų | 59 | 37% | 0.37 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -66 | -17.3 | -162.9 | 25 | -34.8 | 0 | 0 | 0 | 114.9 | L777 H788 | P775-L777 VanDerWaalsContact C-N 3.3Å; P775-H788 WeakPolarHBondContact CD-O 3.47Å |
| 776 | G | 85.4 | Confident | 82 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -77.5 | -7.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115 | G774 H788 Y830 | G774-G776 PolarHBondContact O-N 2.72Å; G776-H788 WeakPolarHBondContact CA-O 3.24Å; G776-H788 PolarHBondContact N-O 2.83Å; G776-Y830 WeakPolarHBondContact O-CE1 3.29Å; G776-Y830 PolarHBondContact O-OH 3.21Å |
| 777 | L | 87.2 | Confident | 82.6 | Confident | 36 Ų | 36 | 60.9 Ų | 60.9 | 19% | 0.188 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -109.2 | 1.2 | 172.4 | -58 | 177.7 | 0 | 0 | 0 | 112.4 | A772 G774 P775 F789 L840 F854 I856 | A772-L777 HydrophobicContact CB-CD1 3.93Å; G774-L777 PolarHBondContact O-N 2.83Å; P775-L777 VanDerWaalsContact C-N 3.3Å; L777-F789 HydrophobicContact CD1-CB 4.08Å; L777-F789 HydrophobicContact CD1-CD2 3.78Å; L777-F789 HydrophobicContact CD1-CE2 4.38Å; L777-F789 HydrophobicContact CD1-CG 3.94Å; L777-F789 HydrophobicContact CD2-CD1 3.9Å; L777-F789 HydrophobicContact CD2-CD2 4.28Å; L777-F789 HydrophobicContact CD2-CE1 4.08Å; L777-F789 HydrophobicContact CD2-CE2 4.45Å; L777-F789 HydrophobicContact CD2-CG 4.01Å; L777-F789 HydrophobicContact CD2-CZ 4.36Å; L777-F789 HydrophobicContact CG-CB 3.77Å; L777-F789 HydrophobicContact CG-CD1 4.03Å; L777-F789 HydrophobicContact CG-CD2 4.04Å; L777-F789 HydrophobicContact CG-CG 3.69Å; L777-L840 HydrophobicContact CD2-CD2 4.18Å; L777-F854 HydrophobicContact CD1-CD1 4.34Å; L777-F854 HydrophobicContact CD1-CE1 4.09Å; L777-F854 HydrophobicContact CD1-CZ 4.25Å; L777-F854 HydrophobicContact CD2-CB 4.14Å; L777-F854 HydrophobicContact CD2-CD1 4.14Å; L777-F854 HydrophobicContact CD2-CD2 4.12Å; L777-F854 HydrophobicContact CD2-CG 3.87Å; L777-I856 HydrophobicContact CD2-CD1 4.39Å |
| 778 | E | 81.3 | Confident | 83.2 | Confident | 120 Ų | 120 | 62.6 Ų | 62.6 | 56% | 0.561 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -99.4 | 171 | -176.9 | -68.1 | 169.4 | -145.4 | 0 | 0 | 111.5 | ||
| 779 | A | 74.9 | Confident | 83.9 | Confident | 105 Ų | 105 | 56.1 Ų | 56.1 | 87% | 0.868 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -76.3 | 154.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 780 | G | 76.7 | Confident | 84.3 | Confident | 39 Ų | 39 | 57.5 Ų | 57.5 | 40% | 0.402 | 30% | 0.299 | S | S | . | . | trans | 89.4 | 26.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 781 | V | 82.9 | Confident | 84.5 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 142.1 | 167.1 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | K787 Y830 I856 V858 E859 | V781-K787 HydrophobicContact CG1-CG 3.84Å; V781-K787 HydrophobicContact CG2-CG 4.29Å; V781-Y830 HydrophobicContact CG1-CE2 4.17Å; V781-Y830 WeakPolarHBondContact CG2-OH 3.5Å; V781-I856 HydrophobicContact CB-CG2 3.95Å; V781-I856 HydrophobicContact CG1-CG2 4.12Å; V781-I856 HydrophobicContact CG2-CG2 3.78Å; V781-V858 HydrophobicContact CB-CG2 4.31Å; V781-V858 HydrophobicContact CG1-CG1 4.41Å; V781-V858 HydrophobicContact CG1-CG2 3.81Å; V781-V858 WeakPolarHBondContact O-CA 3.45Å; V781-E859 PolarHBondContact O-N 3.29Å |
| 782 | K | 81.8 | Confident | 84.7 | Confident | 66 Ų | 66 | 52 Ų | 52 | 29% | 0.287 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 154 | -176.1 | -74.9 | -170 | 176.6 | -162.6 | 0 | 111.2 | E785 E859 | K782-E785 HydrophobicContact CB-CG 4.35Å; K782-E859 CarbonylContact C-O 3.58Å; K782-E859 VanDerWaalsContact CA-O 3.28Å; K782-E859 WeakPolarHBondContact CA-O 3.48Å; K782-E859 WeakPolarHBondContact CE-OE2 3.27Å; K782-E859 HydrophobicContact CG-CB 4.16Å |
| 783 | T | 80.6 | Confident | 84.5 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 3% | 0.025 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 163.2 | 174.4 | 60.5 | 0 | 0 | 0 | 0 | 111.6 | E785 V832 D833 F834 P835 V858 E859 Y861 | T783-E785 PolarHBondContact O-N 2.98Å; T783-V832 CarbonylContact C-O 3.5Å; T783-V832 WeakPolarHBondContact CA-O 3.32Å; T783-V832 VanDerWaalsContact CB-O 3.26Å; T783-V832 WeakPolarHBondContact CB-O 3.48Å; T783-D833 WeakPolarHBondContact CB-O 3.49Å; T783-F834 WeakPolarHBondContact CG2-O 2.98Å; T783-P835 HydrophobicContact CG2-CB 4.17Å; T783-P835 VanDerWaalsContact CG2-N 3.32Å; T783-V858 HydrophobicContact CG2-CG1 3.61Å; T783-E859 PolarHBondContact N-O 3.05Å; T783-Y861 WeakPolarHBondContact O-CB 3.32Å; T783-Y861 WeakPolarHBondContact OG1-CB 3.17Å; T783-Y861 WeakPolarHBondContact OG1-CD1 3.33Å; T783-Y861 PolarHBondContact OG1-N 3.4Å |
| 784 | K | 76.5 | Confident | 84.3 | Confident | 85 Ų | 85 | 50.8 Ų | 50.8 | 37% | 0.37 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | -14.3 | 178.4 | -57.2 | -165.4 | 176 | -172.7 | 0 | 117.1 | K831 V832 Y861 D958 | K784-K831 WeakPolarHBondContact O-CD 3.45Å; K784-V832 PolarHBondContact N-O 2.91Å; K784-Y861 HydrophobicContact CB-CD2 4.22Å; K784-Y861 HydrophobicContact CB-CG 4.25Å; K784-Y861 HydrophobicContact CD-CD1 4.21Å; K784-Y861 HydrophobicContact CD-CD2 4.29Å; K784-Y861 HydrophobicContact CD-CE1 3.97Å; K784-Y861 HydrophobicContact CD-CE2 4.03Å; K784-Y861 HydrophobicContact CD-CG 4.4Å; K784-Y861 HydrophobicContact CG-CD1 4.36Å; K784-Y861 HydrophobicContact CG-CG 4.37Å; K784-D958 IonicContact NZ-OD1 3.77Å; K784-D958 IonicContact NZ-OD2 3.15Å; K784-D958 PolarHBondContact NZ-OD2 3.01Å |
| 785 | E | 77.1 | Confident | 83.9 | Confident | 82 Ų | 82 | 56.8 Ų | 56.8 | 38% | 0.383 | 30% | 0.295 | S | S | . | . | trans | -77.4 | 130.7 | 171.1 | -70.3 | -175.4 | -162.6 | 0 | 0 | 110.4 | K782 T783 K787 | K782-E785 HydrophobicContact CB-CG 4.35Å; T783-E785 PolarHBondContact O-N 2.98Å; E785-K787 PolarHBondContact O-N 3.02Å; E785-K787 WeakPolarHBondContact OE2-CE 3.29Å; E785-K787 IonicContact OE2-NZ 3.32Å; E785-K787 PolarHBondContact OE2-NZ 2.84Å | ||
| 786 | K | 83.2 | Confident | 83.6 | Confident | 96 Ų | 96 | 54.1 Ų | 54.1 | 42% | 0.417 | 28% | 0.278 | S | S | . | . | trans | -81.5 | 95.2 | 169.3 | -172 | 167.4 | 175.9 | 175.7 | 0 | 109 | E817 Y829 Y830 | K786-E817 IonicContact NZ-OE1 2.77Å; K786-E817 PolarHBondContact NZ-OE1 2.82Å; K786-E817 IonicContact NZ-OE2 2.74Å; K786-E817 PolarHBondContact NZ-OE2 3.05Å; K786-Y829 VanDerWaalsContact CE-CB 3.43Å; K786-Y829 HydrophobicContact CG-CD1 4.29Å; K786-Y830 CarbonylContact C-O 3.47Å; K786-Y830 WeakPolarHBondContact CA-O 3.35Å | ||
| 787 | K | 87.9 | Confident | 82.8 | Confident | 41 Ų | 41 | 55.1 Ų | 55.1 | 18% | 0.178 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 166.9 | 174 | -67.1 | -53.6 | -160.4 | -169.5 | 0 | 110.5 | V781 E785 Y829 Y830 | V781-K787 HydrophobicContact CG1-CG 3.84Å; V781-K787 HydrophobicContact CG2-CG 4.29Å; E785-K787 PolarHBondContact O-N 3.02Å; E785-K787 WeakPolarHBondContact OE2-CE 3.29Å; E785-K787 IonicContact OE2-NZ 3.32Å; E785-K787 PolarHBondContact OE2-NZ 2.84Å; K787-Y829 VanDerWaalsContact O-CA 3.27Å; K787-Y829 WeakPolarHBondContact O-CA 3.38Å; K787-Y830 HydrophobicContact CB-CE1 4.24Å; K787-Y830 HydrophobicContact CB-CE2 4.26Å; K787-Y830 PolarHBondContact N-O 2.9Å; K787-Y830 PolarHBondContact O-N 3.07Å |
| 788 | H | 90.8 | Very high | 82 | Confident | 57 Ų | 57 | 56.1 Ų | 56.1 | 26% | 0.264 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 155.7 | 173.9 | 72.3 | -88.8 | 0 | 0 | 0 | 113.3 | P775 G776 F790 T827 V828 Y829 | P775-H788 WeakPolarHBondContact CD-O 3.47Å; G776-H788 WeakPolarHBondContact CA-O 3.24Å; G776-H788 PolarHBondContact N-O 2.83Å; H788-F790 AromaticContact CD2-CE2 3.85Å; H788-F790 AromaticContact CD2-CZ 3.62Å; H788-F790 AromaticContact NE2-CE2 3.74Å; H788-F790 AromaticContact NE2-CZ 3.48Å; H788-F790 WeakPolarHBondContact NE2-CZ 3.48Å; H788-T827 HydrophobicContact CB-CG2 3.66Å; H788-V828 CarbonylContact C-O 3.49Å; H788-V828 WeakPolarHBondContact CA-O 3.41Å; H788-V828 WeakPolarHBondContact CB-O 3.16Å; H788-Y829 HydrophobicContact CB-CD1 3.51Å; H788-Y829 HydrophobicContact CB-CE1 3.64Å; H788-Y829 HydrophobicContact CB-CG 4.1Å |
| 789 | F | 93.2 | Very high | 81.5 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 156.9 | 167.5 | 65.2 | -89 | 0 | 0 | 0 | 110.5 | A772 L777 V791 V803 T827 V828 Y830 L840 V842 | A772-F789 HydrophobicContact CB-CD2 4.37Å; A772-F789 HydrophobicContact CB-CE2 4.44Å; L777-F789 HydrophobicContact CD1-CB 4.08Å; L777-F789 HydrophobicContact CD1-CD2 3.78Å; L777-F789 HydrophobicContact CD1-CE2 4.38Å; L777-F789 HydrophobicContact CD1-CG 3.94Å; L777-F789 HydrophobicContact CD2-CD1 3.9Å; L777-F789 HydrophobicContact CD2-CD2 4.28Å; L777-F789 HydrophobicContact CD2-CE1 4.08Å; L777-F789 HydrophobicContact CD2-CE2 4.45Å; L777-F789 HydrophobicContact CD2-CG 4.01Å; L777-F789 HydrophobicContact CD2-CZ 4.36Å; L777-F789 HydrophobicContact CG-CB 3.77Å; L777-F789 HydrophobicContact CG-CD1 4.03Å; L777-F789 HydrophobicContact CG-CD2 4.04Å; L777-F789 HydrophobicContact CG-CG 3.69Å; F789-V791 HydrophobicContact CD2-CG2 3.95Å; F789-V791 HydrophobicContact CE2-CG2 3.6Å; F789-V803 HydrophobicContact CZ-CG1 4.48Å; F789-T827 WeakPolarHBondContact O-CA 3.38Å; F789-V828 HydrophobicContact CD1-CB 4.12Å; F789-V828 HydrophobicContact CD1-CG1 4.38Å; F789-V828 HydrophobicContact CD2-CB 4.3Å; F789-V828 HydrophobicContact CD2-CG2 4.45Å; F789-V828 HydrophobicContact CE1-CB 3.68Å; F789-V828 HydrophobicContact CE1-CG1 3.57Å; F789-V828 HydrophobicContact CE1-CG2 4.44Å; F789-V828 HydrophobicContact CE2-CB 3.87Å; F789-V828 HydrophobicContact CE2-CG1 4.4Å; F789-V828 HydrophobicContact CE2-CG2 3.8Å; F789-V828 HydrophobicContact CG-CB 4.41Å; F789-V828 HydrophobicContact CZ-CB 3.54Å; F789-V828 HydrophobicContact CZ-CG1 3.58Å; F789-V828 HydrophobicContact CZ-CG2 3.8Å; F789-V828 PolarHBondContact N-O 3.05Å; F789-V828 PolarHBondContact O-N 2.63Å; F789-Y830 HydrophobicContact CD1-CD1 4.4Å; F789-Y830 HydrophobicContact CD1-CE1 4.22Å; F789-Y830 HydrophobicContact CE1-CD1 4.24Å; F789-Y830 HydrophobicContact CE1-CE1 4.33Å; F789-L840 HydrophobicContact CE1-CD1 3.9Å; F789-L840 HydrophobicContact CE1-CD2 3.97Å; F789-L840 HydrophobicContact CZ-CD1 4.38Å; F789-L840 HydrophobicContact CZ-CD2 3.75Å; F789-V842 HydrophobicContact CE2-CG2 4.04Å; F789-V842 HydrophobicContact CZ-CG2 3.9Å |
| 790 | F | 91.7 | Very high | 81.7 | Confident | 89 Ų | 89 | 53.9 Ų | 53.9 | 39% | 0.39 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 145.9 | -179.7 | -53.6 | -80.7 | 0 | 0 | 0 | 110.1 | A772 M773 H788 Y826 T827 | A772-F790 CarbonylContact C-O 3.37Å; A772-F790 VanDerWaalsContact CA-O 3.27Å; A772-F790 WeakPolarHBondContact CA-O 3.37Å; M773-F790 PolarHBondContact N-O 3.3Å; M773-F790 WeakPolarHBondContact O-CB 3.36Å; M773-F790 WeakPolarHBondContact O-CD2 3.14Å; M773-F790 PolarHBondContact O-N 2.82Å; H788-F790 AromaticContact CD2-CE2 3.85Å; H788-F790 AromaticContact CD2-CZ 3.62Å; H788-F790 AromaticContact NE2-CE2 3.74Å; H788-F790 AromaticContact NE2-CZ 3.48Å; H788-F790 WeakPolarHBondContact NE2-CZ 3.48Å; F790-Y826 CarbonylContact C-O 3.58Å; F790-Y826 WeakPolarHBondContact CA-O 3.35Å; F790-T827 HydrophobicContact CD1-CG2 4.43Å; F790-T827 WeakPolarHBondContact CD1-OG1 3.3Å; F790-T827 HydrophobicContact CE1-CG2 4.27Å; F790-T827 WeakPolarHBondContact CE1-OG1 3.28Å |
| 791 | V | 93 | Very high | 82.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 117.5 | 167.8 | -171.9 | 0 | 0 | 0 | 0 | 107.8 | V770 R771 A772 F789 L801 T825 Y826 V828 V842 I849 | V770-V791 HydrophobicContact CG1-CG1 3.38Å; R771-V791 WeakPolarHBondContact O-CA 3.49Å; A772-V791 HydrophobicContact CB-CG2 4.14Å; F789-V791 HydrophobicContact CD2-CG2 3.95Å; F789-V791 HydrophobicContact CE2-CG2 3.6Å; V791-L801 HydrophobicContact CB-CD2 4.09Å; V791-L801 HydrophobicContact CG1-CD1 4Å; V791-L801 HydrophobicContact CG1-CD2 4.25Å; V791-L801 HydrophobicContact CG2-CD2 4.2Å; V791-T825 WeakPolarHBondContact O-CA 3.39Å; V791-Y826 PolarHBondContact N-O 2.83Å; V791-Y826 PolarHBondContact O-N 3.18Å; V791-V828 HydrophobicContact CG2-CG2 4Å; V791-V842 HydrophobicContact CG2-CG1 4.46Å; V791-I849 HydrophobicContact CG1-CD1 4.5Å |
| 792 | D | 89 | Confident | 82.5 | Confident | 61 Ų | 61 | 56.9 Ų | 56.9 | 33% | 0.326 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 117.5 | 173.5 | -163.8 | -24.7 | 0 | 0 | 0 | 109.6 | V770 R771 K794 T825 | V770-D792 WeakPolarHBondContact CA-O 3.4Å; R771-D792 PolarHBondContact N-O 2.76Å; R771-D792 PolarHBondContact O-N 3.36Å; D792-K794 VanDerWaalsContact OD1-CB 3.27Å; D792-K794 WeakPolarHBondContact OD1-CB 3.18Å; D792-K794 WeakPolarHBondContact OD1-CE 3.44Å; D792-K794 WeakPolarHBondContact OD1-CG 3.44Å; D792-K794 PolarHBondContact OD1-N 3.25Å; D792-K794 WeakPolarHBondContact OD2-CE 3.48Å; D792-K794 IonicContact OD2-NZ 2.64Å; D792-T825 HydrophobicContact CB-CG2 4.17Å |
| 793 | C | 85.9 | Confident | 83 | Confident | 5 Ų | 5 | 54.8 Ų | 54.8 | 3% | 0.034 | 27% | 0.272 | C | S | . | . | trans | -110.5 | 7.8 | 177.5 | -60.8 | 0 | 0 | 0 | 0 | 112.6 | V770 E795 A796 G824 Y826 F844 | V770-C793 HydrophobicContact CG2-CB 4.36Å; C793-E795 VanDerWaalsContact C-N 3.32Å; C793-E795 PolarHBondContact O-N 3.36Å; C793-A796 HydrophobicContact CB-CB 4.33Å; C793-A796 WeakPolarHBondContact O-CA 3.43Å; C793-A796 VanDerWaalsContact O-CB 3.31Å; C793-A796 WeakPolarHBondContact O-CB 3.44Å; C793-A796 PolarHBondContact O-N 2.95Å; C793-G824 WeakPolarHBondContact CA-O 3.47Å; C793-G824 WeakPolarHBondContact CB-O 3.43Å; C793-G824 PolarHBondContact N-O 2.95Å; C793-Y826 HydrophobicContact CB-CE2 4.27Å; C793-F844 HydrophobicContact CB-CE2 3.98Å; C793-F844 HydrophobicContact CB-CZ 3.92Å | ||
| 794 | K | 82.1 | Confident | 83.5 | Confident | 110 Ų | 110 | 57.7 Ų | 57.7 | 48% | 0.478 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -37.4 | -170.4 | -80.9 | 178.2 | -80.5 | -143.7 | 0 | 114.6 | D792 D823 T825 | D792-K794 VanDerWaalsContact OD1-CB 3.27Å; D792-K794 WeakPolarHBondContact OD1-CB 3.18Å; D792-K794 WeakPolarHBondContact OD1-CE 3.44Å; D792-K794 WeakPolarHBondContact OD1-CG 3.44Å; D792-K794 PolarHBondContact OD1-N 3.25Å; D792-K794 WeakPolarHBondContact OD2-CE 3.48Å; D792-K794 IonicContact OD2-NZ 2.64Å; K794-D823 WeakPolarHBondContact CD-O 3.13Å; K794-D823 WeakPolarHBondContact CG-O 3.34Å; K794-D823 IonicContact NZ-OD2 3.18Å; K794-D823 PolarHBondContact NZ-OD2 2.83Å; K794-T825 HydrophobicContact CD-CG2 4.28Å |
| 795 | E | 79.5 | Confident | 84.2 | Confident | 138 Ų | 138 | 53.8 Ų | 53.8 | 65% | 0.645 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -12.6 | 175.2 | -63.7 | -174.9 | -176 | 0 | 0 | 113.3 | L769 C793 | L769-E795 HydrophobicContact CB-CB 4.13Å; L769-E795 HydrophobicContact CD1-CB 4.19Å; L769-E795 WeakPolarHBondContact CD1-O 3.33Å; C793-E795 VanDerWaalsContact C-N 3.32Å; C793-E795 PolarHBondContact O-N 3.36Å |
| 796 | A | 74.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -9.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | K766 L769 V770 C793 F844 | K766-A796 PolarHBondContact N-O 2.87Å; K766-A796 WeakPolarHBondContact O-CB 3.16Å; L769-A796 HydrophobicContact CB-CB 4.43Å; V770-A796 HydrophobicContact CG2-CB 3.39Å; C793-A796 HydrophobicContact CB-CB 4.33Å; C793-A796 WeakPolarHBondContact O-CA 3.43Å; C793-A796 VanDerWaalsContact O-CB 3.31Å; C793-A796 WeakPolarHBondContact O-CB 3.44Å; C793-A796 PolarHBondContact O-N 2.95Å; A796-F844 HydrophobicContact CB-CD1 4.15Å; A796-F844 HydrophobicContact CB-CE1 3.78Å |
| 797 | G | 69.2 | Low | 84.7 | Confident | 21 Ų | 21 | 50 Ų | 50 | 22% | 0.216 | 26% | 0.26 | C | S | . | . | trans | 69.5 | -169.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F844 | G797-F844 WeakPolarHBondContact O-CE1 3.44Å; G797-F844 VanDerWaalsContact O-CZ 3.29Å; G797-F844 WeakPolarHBondContact O-CZ 3.42Å | ||
| 798 | P | 70 | Confident | 84.3 | Confident | 57 Ų | 57 | 53 Ų | 53 | 37% | 0.37 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -69.4 | 140.6 | -174.7 | 27.3 | -33.9 | 0 | 0 | 0 | 113 | Q762 E763 C765 | Q762-P798 HydrophobicContact CB-CG 4.28Å; E763-P798 WeakPolarHBondContact O-CD 3.32Å; E763-P798 VanDerWaalsContact O-CG 3.29Å; E763-P798 WeakPolarHBondContact O-CG 3.43Å; C765-P798 VanDerWaalsContact CB-O 3.27Å; C765-P798 WeakPolarHBondContact CB-O 3.46Å; C765-P798 PolarHBondContact SG-O 3.42Å |
| 799 | G | 72.1 | Confident | 83.8 | Confident | 27 Ų | 27 | 57.3 Ų | 57.3 | 28% | 0.278 | 29% | 0.294 | S | S | . | . | trans | 175.5 | 159.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F844 | G799-F844 VanDerWaalsContact C-CE2 3.46Å; G799-F844 VanDerWaalsContact CA-CZ 3.48Å; G799-F844 WeakPolarHBondContact O-CE2 3.38Å | ||
| 800 | E | 78.3 | Confident | 82.9 | Confident | 151 Ų | 151 | 59.4 Ų | 59.4 | 71% | 0.706 | 32% | 0.316 | S | S | * | . | trans | -91.1 | 141.2 | 175.6 | -175.8 | 169.1 | -163.9 | 0 | 0 | 110.7 | F844 N845 | E800-F844 CarbonylContact O-C 3.56Å; E800-F844 WeakPolarHBondContact O-CA 3.32Å; E800-N845 PolarHBondContact O-N 2.76Å | ||
| 801 | L | 87.8 | Confident | 82.3 | Confident | 22 Ų | 22 | 61.2 Ų | 61.2 | 12% | 0.115 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 109 | -180 | -177.1 | 70.1 | 0 | 0 | 0 | 110.7 | V791 V818 Y826 V828 V842 R843 F844 | V791-L801 HydrophobicContact CB-CD2 4.09Å; V791-L801 HydrophobicContact CG1-CD1 4Å; V791-L801 HydrophobicContact CG1-CD2 4.25Å; V791-L801 HydrophobicContact CG2-CD2 4.2Å; L801-V818 HydrophobicContact CD2-CG1 4.3Å; L801-Y826 HydrophobicContact CB-CE1 4.49Å; L801-Y826 HydrophobicContact CD2-CD1 3.96Å; L801-Y826 HydrophobicContact CD2-CD2 3.68Å; L801-Y826 HydrophobicContact CD2-CE1 4.5Å; L801-Y826 HydrophobicContact CD2-CE2 4.26Å; L801-Y826 HydrophobicContact CD2-CG 3.52Å; L801-V828 HydrophobicContact CD2-CG2 4.49Å; L801-V842 HydrophobicContact CD1-CG1 3.7Å; L801-R843 WeakPolarHBondContact CA-O 3.24Å; L801-F844 HydrophobicContact CB-CD2 4.38Å; L801-F844 HydrophobicContact CD1-CD2 4.36Å |
| 802 | E | 87.7 | Confident | 81.6 | Confident | 82 Ų | 82 | 65.2 Ų | 65.2 | 38% | 0.383 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 138.9 | 171.1 | -59.2 | -177.3 | 150.3 | 0 | 0 | 110.9 | V842 R843 | E802-V842 WeakPolarHBondContact O-CA 3.49Å; E802-R843 HydrophobicContact CB-CB 4.22Å; E802-R843 PolarHBondContact N-O 2.77Å; E802-R843 PolarHBondContact O-N 2.82Å; E802-R843 WeakPolarHBondContact OE2-CD 3.27Å; E802-R843 IonicContact OE2-CZ 3.34Å; E802-R843 IonicContact OE2-NE 2.67Å; E802-R843 IonicContact OE2-NH1 3.66Å; E802-R843 PolarHBondContact OE2-NH1 2.84Å |
| 803 | V | 93.3 | Very high | 81 | Confident | 22 Ų | 22 | 63.8 Ų | 63.8 | 13% | 0.133 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 136 | 167.4 | -174.2 | 0 | 0 | 0 | 0 | 110.3 | F789 I816 V818 V828 L840 F841 V842 | F789-V803 HydrophobicContact CZ-CG1 4.48Å; V803-I816 HydrophobicContact CB-CG2 4.49Å; V803-I816 HydrophobicContact CG1-CG2 4.23Å; V803-V818 HydrophobicContact CG2-CG2 4.35Å; V803-V828 HydrophobicContact CB-CG1 4.38Å; V803-V828 HydrophobicContact CG1-CG1 4.01Å; V803-V828 HydrophobicContact CG2-CG1 4.11Å; V803-V828 HydrophobicContact CG2-CG2 3.89Å; V803-L840 HydrophobicContact CG1-CD1 4.32Å; V803-L840 HydrophobicContact CG1-CD2 4.38Å; V803-L840 HydrophobicContact CG1-CG 4.26Å; V803-F841 WeakPolarHBondContact CA-O 3.41Å; V803-V842 HydrophobicContact CG1-CG2 4.41Å; V803-V842 HydrophobicContact CG2-CG1 4.33Å; V803-V842 HydrophobicContact CG2-CG2 4.32Å |
| 804 | T | 90.6 | Very high | 80.7 | Confident | 66 Ų | 66 | 69.8 Ų | 69.8 | 41% | 0.405 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 153.6 | 173 | 49.1 | 0 | 0 | 0 | 0 | 110.6 | L840 F841 | T804-L840 CarbonylContact O-C 3.47Å; T804-L840 WeakPolarHBondContact O-CA 3.38Å; T804-F841 PolarHBondContact N-O 3.01Å; T804-F841 VanDerWaalsContact N-O 3.12Å; T804-F841 PolarHBondContact O-N 3.47Å |
| 805 | M | 91 | Very high | 80.8 | Confident | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.015 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 142.5 | 175.2 | -171.1 | 165.3 | 59.6 | 0 | 0 | 111.9 | I813 I816 Y830 V832 N838 R839 L840 | M805-I813 HydrophobicContact CB-CB 4.47Å; M805-I813 HydrophobicContact CE-CB 4.19Å; M805-I813 HydrophobicContact CE-CD1 3.84Å; M805-I813 HydrophobicContact CE-CG2 3.9Å; M805-I813 HydrophobicContact CG-CD1 4.31Å; M805-I813 PolarHBondContact O-N 2.82Å; M805-I816 HydrophobicContact CB-CD1 3.83Å; M805-Y830 HydrophobicContact CE-CD2 3.58Å; M805-Y830 HydrophobicContact CE-CE2 4.07Å; M805-Y830 HydrophobicContact CE-CG 4.06Å; M805-V832 HydrophobicContact CE-CG2 3.52Å; M805-N838 HydrophobicContact CG-CB 4.22Å; M805-N838 HydrophobicContact SD-CB 3.94Å; M805-R839 CarbonylContact C-O 3.53Å; M805-R839 WeakPolarHBondContact CA-O 3.47Å; M805-R839 WeakPolarHBondContact CG-O 3.33Å; M805-L840 HydrophobicContact CB-CB 4.25Å; M805-L840 HydrophobicContact CB-CD1 4.31Å; M805-L840 HydrophobicContact CB-CG 4.41Å; M805-L840 HydrophobicContact CG-CB 3.97Å; M805-L840 HydrophobicContact CG-CD1 4.49Å; M805-L840 HydrophobicContact SD-CB 3.93Å; M805-L840 HydrophobicContact SD-CD1 3.91Å; M805-L840 HydrophobicContact SD-CG 4.46Å |
| 806 | L | 88 | Confident | 81.2 | Confident | 60 Ų | 60 | 62.3 Ų | 62.3 | 31% | 0.314 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 147.9 | 174 | -55.3 | 179.7 | 0 | 0 | 0 | 110.5 | E811 P812 N838 R839 F841 | L806-E811 CarbonylContact C-O 3.47Å; L806-E811 WeakPolarHBondContact CA-O 3.48Å; L806-P812 HydrophobicContact CD2-CB 4.2Å; L806-N838 CarbonylContact O-C 3.56Å; L806-N838 VanDerWaalsContact O-CA 3.24Å; L806-N838 WeakPolarHBondContact O-CA 3.13Å; L806-N838 WeakPolarHBondContact O-CB 3.28Å; L806-R839 PolarHBondContact N-O 3.4Å; L806-R839 PolarHBondContact O-N 3.32Å; L806-F841 HydrophobicContact CD1-CE2 4.32Å |
| 807 | D | 84.1 | Confident | 81.8 | Confident | 37 Ų | 37 | 67 Ų | 67 | 20% | 0.198 | 37% | 0.371 | C | S | . | . | trans | -82.4 | -173.3 | 176 | 95.7 | -34 | 0 | 0 | 0 | 113.1 | H809 G810 E811 I813 N838 | D807-H809 VanDerWaalsContact C-N 3.25Å; D807-H809 PolarHBondContact O-N 3.34Å; D807-H809 WeakPolarHBondContact OD1-CA 3.4Å; D807-H809 WeakPolarHBondContact OD1-CB 3.11Å; D807-H809 PolarHBondContact OD1-N 2.97Å; D807-H809 IonicContact OD2-CD2 3.94Å; D807-H809 PolarHBondContact OD2-CD2 2.81Å; D807-H809 VanDerWaalsContact OD2-CD2 3.27Å; D807-H809 IonicContact OD2-CG 3.97Å; D807-G810 PolarHBondContact O-N 3.01Å; D807-G810 PolarHBondContact OD1-N 3.18Å; D807-E811 PolarHBondContact N-O 3.06Å; D807-E811 PolarHBondContact OD1-N 3.21Å; D807-I813 HydrophobicContact CB-CD1 3.86Å; D807-I813 HydrophobicContact CB-CG1 4.16Å; D807-N838 WeakPolarHBondContact CA-OD1 3.47Å | ||
| 808 | Q | 78.2 | Confident | 82.8 | Confident | 106 Ų | 106 | 69.2 Ų | 69.2 | 50% | 0.495 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -70.4 | -17 | 179 | 73.6 | -175.3 | -2.1 | 0 | 0 | 114.6 | T837 | Q808-T837 WeakPolarHBondContact CA-O 3.46Å; Q808-T837 WeakPolarHBondContact CB-O 3.4Å; Q808-T837 PolarHBondContact N-O 2.82Å |
| 809 | H | 80.1 | Confident | 83.5 | Confident | 146 Ų | 146 | 68 Ų | 68 | 68% | 0.676 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -94.8 | -15.8 | 176.3 | -59.8 | -62.2 | 0 | 0 | 0 | 111.9 | D807 | D807-H809 VanDerWaalsContact C-N 3.25Å; D807-H809 PolarHBondContact O-N 3.34Å; D807-H809 WeakPolarHBondContact OD1-CA 3.4Å; D807-H809 WeakPolarHBondContact OD1-CB 3.11Å; D807-H809 PolarHBondContact OD1-N 2.97Å; D807-H809 IonicContact OD2-CD2 3.94Å; D807-H809 PolarHBondContact OD2-CD2 2.81Å; D807-H809 VanDerWaalsContact OD2-CD2 3.27Å; D807-H809 IonicContact OD2-CG 3.97Å |
| 810 | G | 75.7 | Confident | 84.1 | Confident | 44 Ų | 44 | 70.4 Ų | 70.4 | 45% | 0.454 | 38% | 0.382 | S | S | . | . | S | Bend | trans | 101.2 | 5.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D807 | D807-G810 PolarHBondContact O-N 3.01Å; D807-G810 PolarHBondContact OD1-N 3.18Å |
| 811 | E | 78.4 | Confident | 84.2 | Confident | 128 Ų | 128 | 68.8 Ų | 68.8 | 60% | 0.598 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -79.2 | 143.7 | 179.8 | -66.4 | -61.3 | 145.1 | 0 | 0 | 111.1 | L806 D807 | L806-E811 CarbonylContact C-O 3.47Å; L806-E811 WeakPolarHBondContact CA-O 3.48Å; D807-E811 PolarHBondContact N-O 3.06Å; D807-E811 PolarHBondContact OD1-N 3.21Å |
| 812 | P | 77.3 | Confident | 83.5 | Confident | 84 Ų | 84 | 78.2 Ų | 78.2 | 55% | 0.545 | 40% | 0.404 | S | S | . | . | B | Isolated β-bridge | trans | -75.1 | 131.9 | -177.7 | 30.1 | -34.2 | 0 | 0 | 0 | 112.4 | L806 | L806-P812 HydrophobicContact CD2-CB 4.2Å |
| 813 | I | 77.8 | Confident | 83.1 | Confident | 30 Ų | 30 | 78 Ų | 78 | 15% | 0.154 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -89.4 | 117.2 | 174.4 | -66.8 | 167.3 | 0 | 0 | 0 | 108.7 | M805 D807 I816 K831 V832 N838 | M805-I813 HydrophobicContact CB-CB 4.47Å; M805-I813 HydrophobicContact CE-CB 4.19Å; M805-I813 HydrophobicContact CE-CD1 3.84Å; M805-I813 HydrophobicContact CE-CG2 3.9Å; M805-I813 HydrophobicContact CG-CD1 4.31Å; M805-I813 PolarHBondContact O-N 2.82Å; D807-I813 HydrophobicContact CB-CD1 3.86Å; D807-I813 HydrophobicContact CB-CG1 4.16Å; I813-I816 WeakPolarHBondContact O-CD1 3.33Å; I813-K831 WeakPolarHBondContact CG2-O 3.43Å; I813-V832 HydrophobicContact CD1-CG1 4.02Å; I813-V832 HydrophobicContact CD1-CG2 4.15Å; I813-N838 HydrophobicContact CD1-CB 4.45Å; I813-N838 VanDerWaalsContact CD1-OD1 3.23Å; I813-N838 WeakPolarHBondContact CD1-OD1 3.4Å |
| 814 | T | 79.4 | Confident | 82.3 | Confident | 131 Ų | 131 | 78 Ų | 78 | 80% | 0.804 | 41% | 0.411 | S | S | * | . | trans | -93 | -10.1 | -170.1 | 58.2 | 0 | 0 | 0 | 0 | 114.7 | I816 | T814-I816 VanDerWaalsContact C-N 3.33Å; T814-I816 PolarHBondContact O-N 3.02Å; T814-I816 VanDerWaalsContact O-N 3.17Å | ||
| 815 | D | 83.1 | Confident | 82 | Confident | 52 Ų | 52 | 76.1 Ų | 76.1 | 28% | 0.278 | 40% | 0.399 | S | S | . | . | trans | -89.2 | 71.3 | -179 | -163.1 | -14.3 | 0 | 0 | 0 | 109.5 | Y830 K831 | D815-Y830 CarbonylContact O-C 3.53Å; D815-Y830 VanDerWaalsContact O-CA 3.26Å; D815-Y830 WeakPolarHBondContact O-CA 3.35Å; D815-K831 HydrophobicContact CB-CB 4.35Å; D815-K831 PolarHBondContact O-N 2.77Å; D815-K831 WeakPolarHBondContact OD2-CD 3.43Å; D815-K831 IonicContact OD2-NZ 2.76Å; D815-K831 PolarHBondContact OD2-NZ 2.65Å | ||
| 816 | I | 89.6 | Confident | 82 | Confident | 39 Ų | 39 | 77.8 Ų | 77.8 | 20% | 0.2 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 130.5 | 179.6 | -53.2 | 178 | 0 | 0 | 0 | 108.8 | V803 M805 I813 T814 V828 Y829 | V803-I816 HydrophobicContact CB-CG2 4.49Å; V803-I816 HydrophobicContact CG1-CG2 4.23Å; M805-I816 HydrophobicContact CB-CD1 3.83Å; I813-I816 WeakPolarHBondContact O-CD1 3.33Å; T814-I816 VanDerWaalsContact C-N 3.33Å; T814-I816 PolarHBondContact O-N 3.02Å; T814-I816 VanDerWaalsContact O-N 3.17Å; I816-V828 HydrophobicContact CG2-CG1 4.26Å; I816-Y829 WeakPolarHBondContact CA-O 3.47Å |
| 817 | E | 86.8 | Confident | 82.2 | Confident | 98 Ų | 98 | 75 Ų | 75 | 46% | 0.458 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 145 | 176 | -70.5 | 169 | -143.5 | 0 | 0 | 110.2 | K786 Y829 | K786-E817 IonicContact NZ-OE1 2.77Å; K786-E817 PolarHBondContact NZ-OE1 2.82Å; K786-E817 IonicContact NZ-OE2 2.74Å; K786-E817 PolarHBondContact NZ-OE2 3.05Å; E817-Y829 PolarHBondContact N-O 3.3Å; E817-Y829 PolarHBondContact O-N 2.97Å |
| 818 | V | 88.7 | Confident | 82.6 | Confident | 68 Ų | 68 | 73.2 Ų | 73.2 | 41% | 0.412 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 117.1 | 174.1 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | L801 V803 Y826 V828 | L801-V818 HydrophobicContact CD2-CG1 4.3Å; V803-V818 HydrophobicContact CG2-CG2 4.35Å; V818-Y826 HydrophobicContact CG1-CD1 3.91Å; V818-Y826 HydrophobicContact CG1-CG 4.46Å; V818-V828 HydrophobicContact CG1-CG2 4.45Å; V818-V828 HydrophobicContact CG2-CG2 4.38Å |
| 819 | A | 84.8 | Confident | 83.2 | Confident | 33 Ų | 33 | 71.4 Ų | 71.4 | 27% | 0.273 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 108.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y826 T827 Y829 | A819-Y826 CarbonylContact O-C 3.53Å; A819-Y826 VanDerWaalsContact O-CA 3.25Å; A819-Y826 WeakPolarHBondContact O-CA 3.34Å; A819-T827 WeakPolarHBondContact CB-O 3.37Å; A819-T827 PolarHBondContact N-O 2.85Å; A819-T827 PolarHBondContact O-N 2.75Å; A819-Y829 HydrophobicContact CB-CD2 4.49Å; A819-Y829 HydrophobicContact CB-CE2 3.93Å |
| 820 | D | 85.2 | Confident | 83.7 | Confident | 76 Ų | 76 | 64.5 Ų | 64.5 | 41% | 0.406 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 122.6 | 170.7 | 166 | 34.5 | 0 | 0 | 0 | 110.4 | R822 Y826 | D820-R822 WeakPolarHBondContact OD1-CA 3.48Å; D820-R822 PolarHBondContact OD1-N 3.46Å; D820-R822 WeakPolarHBondContact OD2-CG 3.34Å; D820-R822 IonicContact OD2-NE 2.98Å; D820-Y826 HydrophobicContact CB-CD1 3.84Å; D820-Y826 HydrophobicContact CB-CE1 3.83Å |
| 821 | Y | 80.7 | Confident | 84.2 | Confident | 118 Ų | 118 | 64.4 Ų | 64.4 | 46% | 0.463 | 33% | 0.325 | S | S | . | . | trans | -90.7 | -3.1 | 175.8 | -60.8 | -57.8 | 0 | 0 | 0 | 113.8 | D823 T825 T827 | Y821-D823 PolarHBondContact O-N 3.03Å; Y821-D823 VanDerWaalsContact O-N 3.12Å; Y821-T825 PolarHBondContact N-O 2.72Å; Y821-T825 VanDerWaalsContact N-O 3.15Å; Y821-T827 WeakPolarHBondContact CE2-OG1 3.35Å; Y821-T827 WeakPolarHBondContact OH-CB 3.49Å; Y821-T827 PolarHBondContact OH-OG1 3.07Å | ||
| 822 | R | 74 | Confident | 84.5 | Confident | 220 Ų | 220 | 58.7 Ų | 58.7 | 83% | 0.83 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 61.6 | 9.5 | -179.6 | -58.5 | -179.9 | 178.4 | -172.9 | 0.9 | 115.8 | D820 | D820-R822 WeakPolarHBondContact OD1-CA 3.48Å; D820-R822 PolarHBondContact OD1-N 3.46Å; D820-R822 WeakPolarHBondContact OD2-CG 3.34Å; D820-R822 IonicContact OD2-NE 2.98Å |
| 823 | D | 77.5 | Confident | 84.4 | Confident | 77 Ų | 77 | 58 Ų | 58 | 41% | 0.412 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -94.4 | 0.4 | 168.7 | 84.9 | -46.3 | 0 | 0 | 0 | 112.8 | K794 Y821 T825 | K794-D823 WeakPolarHBondContact CD-O 3.13Å; K794-D823 WeakPolarHBondContact CG-O 3.34Å; K794-D823 IonicContact NZ-OD2 3.18Å; K794-D823 PolarHBondContact NZ-OD2 2.83Å; Y821-D823 PolarHBondContact O-N 3.03Å; Y821-D823 VanDerWaalsContact O-N 3.12Å; D823-T825 WeakPolarHBondContact OD1-CA 3.11Å; D823-T825 WeakPolarHBondContact OD1-CB 3.38Å; D823-T825 PolarHBondContact OD1-N 2.87Å; D823-T825 PolarHBondContact OD1-OG1 3.2Å |
| 824 | G | 76.3 | Confident | 84.5 | Confident | 23 Ų | 23 | 64.5 Ų | 64.5 | 24% | 0.237 | 32% | 0.318 | C | S | . | . | S | Bend | trans | 94 | 2.6 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | C793 | C793-G824 WeakPolarHBondContact CA-O 3.47Å; C793-G824 WeakPolarHBondContact CB-O 3.43Å; C793-G824 PolarHBondContact N-O 2.95Å |
| 825 | T | 85.9 | Confident | 84.4 | Confident | 25 Ų | 25 | 60.9 Ų | 60.9 | 15% | 0.153 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 150.9 | 169 | 69.7 | 0 | 0 | 0 | 0 | 112.9 | V791 D792 K794 Y821 D823 | V791-T825 WeakPolarHBondContact O-CA 3.39Å; D792-T825 HydrophobicContact CB-CG2 4.17Å; K794-T825 HydrophobicContact CD-CG2 4.28Å; Y821-T825 PolarHBondContact N-O 2.72Å; Y821-T825 VanDerWaalsContact N-O 3.15Å; D823-T825 WeakPolarHBondContact OD1-CA 3.11Å; D823-T825 WeakPolarHBondContact OD1-CB 3.38Å; D823-T825 PolarHBondContact OD1-N 2.87Å; D823-T825 PolarHBondContact OD1-OG1 3.2Å |
| 826 | Y | 90 | Very high | 84.3 | Confident | 39 Ų | 39 | 59 Ų | 59 | 15% | 0.153 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 144 | -179.7 | -54.4 | -98.9 | 0 | 0 | 0 | 109.5 | F790 V791 C793 L801 V818 A819 D820 | F790-Y826 CarbonylContact C-O 3.58Å; F790-Y826 WeakPolarHBondContact CA-O 3.35Å; V791-Y826 PolarHBondContact N-O 2.83Å; V791-Y826 PolarHBondContact O-N 3.18Å; C793-Y826 HydrophobicContact CB-CE2 4.27Å; L801-Y826 HydrophobicContact CB-CE1 4.49Å; L801-Y826 HydrophobicContact CD2-CD1 3.96Å; L801-Y826 HydrophobicContact CD2-CD2 3.68Å; L801-Y826 HydrophobicContact CD2-CE1 4.5Å; L801-Y826 HydrophobicContact CD2-CE2 4.26Å; L801-Y826 HydrophobicContact CD2-CG 3.52Å; V818-Y826 HydrophobicContact CG1-CD1 3.91Å; V818-Y826 HydrophobicContact CG1-CG 4.46Å; A819-Y826 CarbonylContact O-C 3.53Å; A819-Y826 VanDerWaalsContact O-CA 3.25Å; A819-Y826 WeakPolarHBondContact O-CA 3.34Å; D820-Y826 HydrophobicContact CB-CD1 3.84Å; D820-Y826 HydrophobicContact CB-CE1 3.83Å |
| 827 | T | 92.3 | Very high | 84 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 118.2 | 159.5 | -61.7 | 0 | 0 | 0 | 0 | 109 | H788 F789 F790 A819 Y821 Y829 | H788-T827 HydrophobicContact CB-CG2 3.66Å; F789-T827 WeakPolarHBondContact O-CA 3.38Å; F790-T827 HydrophobicContact CD1-CG2 4.43Å; F790-T827 WeakPolarHBondContact CD1-OG1 3.3Å; F790-T827 HydrophobicContact CE1-CG2 4.27Å; F790-T827 WeakPolarHBondContact CE1-OG1 3.28Å; A819-T827 WeakPolarHBondContact CB-O 3.37Å; A819-T827 PolarHBondContact N-O 2.85Å; A819-T827 PolarHBondContact O-N 2.75Å; Y821-T827 WeakPolarHBondContact CE2-OG1 3.35Å; Y821-T827 WeakPolarHBondContact OH-CB 3.49Å; Y821-T827 PolarHBondContact OH-OG1 3.07Å; T827-Y829 HydrophobicContact CG2-CD2 4.02Å; T827-Y829 HydrophobicContact CG2-CE1 4.08Å; T827-Y829 HydrophobicContact CG2-CE2 3.45Å; T827-Y829 VanDerWaalsContact CG2-CE2 3.45Å; T827-Y829 VanDerWaalsContact CG2-CZ 3.47Å |
| 828 | V | 92.4 | Very high | 84 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 127.6 | 172.8 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | H788 F789 V791 L801 V803 I816 V818 | H788-V828 CarbonylContact C-O 3.49Å; H788-V828 WeakPolarHBondContact CA-O 3.41Å; H788-V828 WeakPolarHBondContact CB-O 3.16Å; F789-V828 HydrophobicContact CD1-CB 4.12Å; F789-V828 HydrophobicContact CD1-CG1 4.38Å; F789-V828 HydrophobicContact CD2-CB 4.3Å; F789-V828 HydrophobicContact CD2-CG2 4.45Å; F789-V828 HydrophobicContact CE1-CB 3.68Å; F789-V828 HydrophobicContact CE1-CG1 3.57Å; F789-V828 HydrophobicContact CE1-CG2 4.44Å; F789-V828 HydrophobicContact CE2-CB 3.87Å; F789-V828 HydrophobicContact CE2-CG1 4.4Å; F789-V828 HydrophobicContact CE2-CG2 3.8Å; F789-V828 HydrophobicContact CG-CB 4.41Å; F789-V828 HydrophobicContact CZ-CB 3.54Å; F789-V828 HydrophobicContact CZ-CG1 3.58Å; F789-V828 HydrophobicContact CZ-CG2 3.8Å; F789-V828 PolarHBondContact N-O 3.05Å; F789-V828 PolarHBondContact O-N 2.63Å; V791-V828 HydrophobicContact CG2-CG2 4Å; L801-V828 HydrophobicContact CD2-CG2 4.49Å; V803-V828 HydrophobicContact CB-CG1 4.38Å; V803-V828 HydrophobicContact CG1-CG1 4.01Å; V803-V828 HydrophobicContact CG2-CG1 4.11Å; V803-V828 HydrophobicContact CG2-CG2 3.89Å; I816-V828 HydrophobicContact CG2-CG1 4.26Å; V818-V828 HydrophobicContact CG1-CG2 4.45Å; V818-V828 HydrophobicContact CG2-CG2 4.38Å |
| 829 | Y | 91 | Very high | 84.2 | Confident | 68 Ų | 68 | 58.3 Ų | 58.3 | 27% | 0.267 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 145.3 | 172.7 | -60.8 | -96 | 0 | 0 | 0 | 110 | K786 K787 H788 I816 E817 A819 T827 | K786-Y829 VanDerWaalsContact CE-CB 3.43Å; K786-Y829 HydrophobicContact CG-CD1 4.29Å; K787-Y829 VanDerWaalsContact O-CA 3.27Å; K787-Y829 WeakPolarHBondContact O-CA 3.38Å; H788-Y829 HydrophobicContact CB-CD1 3.51Å; H788-Y829 HydrophobicContact CB-CE1 3.64Å; H788-Y829 HydrophobicContact CB-CG 4.1Å; I816-Y829 WeakPolarHBondContact CA-O 3.47Å; E817-Y829 PolarHBondContact N-O 3.3Å; E817-Y829 PolarHBondContact O-N 2.97Å; A819-Y829 HydrophobicContact CB-CD2 4.49Å; A819-Y829 HydrophobicContact CB-CE2 3.93Å; T827-Y829 HydrophobicContact CG2-CD2 4.02Å; T827-Y829 HydrophobicContact CG2-CE1 4.08Å; T827-Y829 HydrophobicContact CG2-CE2 3.45Å; T827-Y829 VanDerWaalsContact CG2-CE2 3.45Å; T827-Y829 VanDerWaalsContact CG2-CZ 3.47Å |
| 830 | Y | 91.5 | Very high | 84.6 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 160.5 | 170 | 70.6 | -97.4 | 0 | 0 | 0 | 111.7 | G776 V781 K786 K787 F789 M805 D815 V832 L840 | G776-Y830 WeakPolarHBondContact O-CE1 3.29Å; G776-Y830 PolarHBondContact O-OH 3.21Å; V781-Y830 HydrophobicContact CG1-CE2 4.17Å; V781-Y830 WeakPolarHBondContact CG2-OH 3.5Å; K786-Y830 CarbonylContact C-O 3.47Å; K786-Y830 WeakPolarHBondContact CA-O 3.35Å; K787-Y830 HydrophobicContact CB-CE1 4.24Å; K787-Y830 HydrophobicContact CB-CE2 4.26Å; K787-Y830 PolarHBondContact N-O 2.9Å; K787-Y830 PolarHBondContact O-N 3.07Å; F789-Y830 HydrophobicContact CD1-CD1 4.4Å; F789-Y830 HydrophobicContact CD1-CE1 4.22Å; F789-Y830 HydrophobicContact CE1-CD1 4.24Å; F789-Y830 HydrophobicContact CE1-CE1 4.33Å; M805-Y830 HydrophobicContact CE-CD2 3.58Å; M805-Y830 HydrophobicContact CE-CE2 4.07Å; M805-Y830 HydrophobicContact CE-CG 4.06Å; D815-Y830 CarbonylContact O-C 3.53Å; D815-Y830 VanDerWaalsContact O-CA 3.26Å; D815-Y830 WeakPolarHBondContact O-CA 3.35Å; Y830-V832 HydrophobicContact CD2-CG2 4.05Å; Y830-V832 HydrophobicContact CE2-CG2 4.16Å; Y830-L840 HydrophobicContact CD1-CD1 3.99Å; Y830-L840 HydrophobicContact CE1-CD1 4.17Å |
| 831 | K | 85.9 | Confident | 84.9 | Confident | 42 Ų | 42 | 55.1 Ų | 55.1 | 18% | 0.183 | 26% | 0.258 | C | S | . | . | trans | -137.5 | 148 | 173.7 | 172.9 | 179.9 | 140.6 | -65.8 | 0 | 110.3 | K784 I813 D815 D833 | K784-K831 WeakPolarHBondContact O-CD 3.45Å; I813-K831 WeakPolarHBondContact CG2-O 3.43Å; D815-K831 HydrophobicContact CB-CB 4.35Å; D815-K831 PolarHBondContact O-N 2.77Å; D815-K831 WeakPolarHBondContact OD2-CD 3.43Å; D815-K831 IonicContact OD2-NZ 2.76Å; D815-K831 PolarHBondContact OD2-NZ 2.65Å; K831-D833 WeakPolarHBondContact CE-OD1 3.24Å; K831-D833 VanDerWaalsContact NZ-CG 3.28Å; K831-D833 IonicContact NZ-OD1 3.45Å; K831-D833 PolarHBondContact NZ-OD1 3.28Å; K831-D833 IonicContact NZ-OD2 2.58Å; K831-D833 PolarHBondContact NZ-OD2 3.49Å | ||
| 832 | V | 83.9 | Confident | 85.5 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 5% | 0.048 | 24% | 0.236 | C | C | . | . | trans | -130 | 129.5 | 178.8 | -172.9 | 0 | 0 | 0 | 0 | 108.5 | T783 K784 M805 I813 Y830 F834 V858 | T783-V832 CarbonylContact C-O 3.5Å; T783-V832 WeakPolarHBondContact CA-O 3.32Å; T783-V832 VanDerWaalsContact CB-O 3.26Å; T783-V832 WeakPolarHBondContact CB-O 3.48Å; K784-V832 PolarHBondContact N-O 2.91Å; M805-V832 HydrophobicContact CE-CG2 3.52Å; I813-V832 HydrophobicContact CD1-CG1 4.02Å; I813-V832 HydrophobicContact CD1-CG2 4.15Å; Y830-V832 HydrophobicContact CD2-CG2 4.05Å; Y830-V832 HydrophobicContact CE2-CG2 4.16Å; V832-F834 WeakPolarHBondContact CG1-O 3.43Å; V832-V858 HydrophobicContact CB-CG1 4.25Å; V832-V858 HydrophobicContact CB-CG2 4.42Å; V832-V858 HydrophobicContact CG1-CG1 4.39Å; V832-V858 HydrophobicContact CG2-CG2 4.26Å | ||
| 833 | D | 76 | Confident | 86.3 | Confident | 69 Ų | 69 | 42.1 Ų | 42.1 | 37% | 0.369 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -90.1 | -21.6 | -175.4 | -70.3 | -53 | 0 | 0 | 0 | 114.2 | T783 K831 | T783-D833 WeakPolarHBondContact CB-O 3.49Å; K831-D833 WeakPolarHBondContact CE-OD1 3.24Å; K831-D833 VanDerWaalsContact NZ-CG 3.28Å; K831-D833 IonicContact NZ-OD1 3.45Å; K831-D833 PolarHBondContact NZ-OD1 3.28Å; K831-D833 IonicContact NZ-OD2 2.58Å; K831-D833 PolarHBondContact NZ-OD2 3.49Å |
| 834 | F | 78.5 | Confident | 86.7 | Confident | 167 Ų | 167 | 38.6 Ų | 38.6 | 73% | 0.732 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -119.8 | 141.8 | -177.5 | -59 | -73.3 | 0 | 0 | 0 | 112.9 | T783 V832 | T783-F834 WeakPolarHBondContact CG2-O 2.98Å; V832-F834 WeakPolarHBondContact CG1-O 3.43Å |
| 835 | P | 77.7 | Confident | 86.9 | Confident | 54 Ų | 54 | 42 Ų | 42 | 35% | 0.351 | 20% | 0.201 | S | C | . | . | trans | -76.6 | 141.6 | -178.1 | 31.4 | -34.4 | 0 | 0 | 0 | 111.1 | T783 V858 | T783-P835 HydrophobicContact CG2-CB 4.17Å; T783-P835 VanDerWaalsContact CG2-N 3.32Å; P835-V858 CarbonylContact C-O 3.27Å; P835-V858 VanDerWaalsContact CA-O 3.26Å; P835-V858 WeakPolarHBondContact CA-O 3.32Å; P835-V858 WeakPolarHBondContact CB-O 3.49Å | ||
| 836 | G | 80.5 | Confident | 86.5 | Confident | 13 Ų | 13 | 43.2 Ų | 43.2 | 13% | 0.134 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.7 | -175.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | N838 V858 | G836-N838 PolarHBondContact O-ND2 3.03Å; G836-V858 PolarHBondContact N-O 3.2Å; G836-V858 PolarHBondContact O-N 2.68Å |
| 837 | T | 84.9 | Confident | 86 | Confident | 69 Ų | 69 | 48.2 Ų | 48.2 | 42% | 0.423 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 121.9 | 173.1 | -56.5 | 0 | 0 | 0 | 0 | 110.4 | Q808 V857 | Q808-T837 WeakPolarHBondContact CA-O 3.46Å; Q808-T837 WeakPolarHBondContact CB-O 3.4Å; Q808-T837 PolarHBondContact N-O 2.82Å; T837-V857 HydrophobicContact CG2-CG2 4.25Å |
| 838 | N | 87 | Confident | 85.7 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 160.4 | -170.6 | -52.7 | -94.5 | 0 | 0 | 0 | 109.8 | M805 L806 D807 I813 G836 N855 I856 V858 | M805-N838 HydrophobicContact CG-CB 4.22Å; M805-N838 HydrophobicContact SD-CB 3.94Å; L806-N838 CarbonylContact O-C 3.56Å; L806-N838 VanDerWaalsContact O-CA 3.24Å; L806-N838 WeakPolarHBondContact O-CA 3.13Å; L806-N838 WeakPolarHBondContact O-CB 3.28Å; D807-N838 WeakPolarHBondContact CA-OD1 3.47Å; I813-N838 HydrophobicContact CD1-CB 4.45Å; I813-N838 VanDerWaalsContact CD1-OD1 3.23Å; I813-N838 WeakPolarHBondContact CD1-OD1 3.4Å; G836-N838 PolarHBondContact O-ND2 3.03Å; N838-N855 CarbonylContact O-C 3.57Å; N838-N855 WeakPolarHBondContact O-CA 3.45Å; N838-I856 PolarHBondContact N-O 3.33Å; N838-I856 PolarHBondContact ND2-O 3.32Å; N838-I856 PolarHBondContact O-N 2.89Å; N838-V858 WeakPolarHBondContact ND2-CG2 3.29Å |
| 839 | R | 91.7 | Very high | 85.6 | Confident | 119 Ų | 119 | 52.2 Ų | 52.2 | 45% | 0.449 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 112 | -175.4 | -54.7 | -171.3 | 70.5 | -155.9 | -5.2 | 110.9 | M805 L806 F854 N855 | M805-R839 CarbonylContact C-O 3.53Å; M805-R839 WeakPolarHBondContact CA-O 3.47Å; M805-R839 WeakPolarHBondContact CG-O 3.33Å; L806-R839 PolarHBondContact N-O 3.4Å; L806-R839 PolarHBondContact O-N 3.32Å; R839-F854 CarbonylContact C-O 3.48Å; R839-F854 WeakPolarHBondContact CA-O 3.3Å; R839-N855 PolarHBondContact NE-OD1 2.99Å |
| 840 | L | 92.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 124.7 | -173.6 | -177.6 | 141.6 | 0 | 0 | 0 | 110.9 | L777 F789 V803 T804 M805 Y830 V842 P853 F854 I856 | L777-L840 HydrophobicContact CD2-CD2 4.18Å; F789-L840 HydrophobicContact CE1-CD1 3.9Å; F789-L840 HydrophobicContact CE1-CD2 3.97Å; F789-L840 HydrophobicContact CZ-CD1 4.38Å; F789-L840 HydrophobicContact CZ-CD2 3.75Å; V803-L840 HydrophobicContact CG1-CD1 4.32Å; V803-L840 HydrophobicContact CG1-CD2 4.38Å; V803-L840 HydrophobicContact CG1-CG 4.26Å; T804-L840 CarbonylContact O-C 3.47Å; T804-L840 WeakPolarHBondContact O-CA 3.38Å; M805-L840 HydrophobicContact CB-CB 4.25Å; M805-L840 HydrophobicContact CB-CD1 4.31Å; M805-L840 HydrophobicContact CB-CG 4.41Å; M805-L840 HydrophobicContact CG-CB 3.97Å; M805-L840 HydrophobicContact CG-CD1 4.49Å; M805-L840 HydrophobicContact SD-CB 3.93Å; M805-L840 HydrophobicContact SD-CD1 3.91Å; M805-L840 HydrophobicContact SD-CG 4.46Å; Y830-L840 HydrophobicContact CD1-CD1 3.99Å; Y830-L840 HydrophobicContact CE1-CD1 4.17Å; L840-V842 HydrophobicContact CD2-CG2 3.56Å; L840-P853 CarbonylContact O-C 3.4Å; L840-P853 VanDerWaalsContact O-CA 3.23Å; L840-P853 WeakPolarHBondContact O-CA 3.37Å; L840-P853 WeakPolarHBondContact O-CB 3.43Å; L840-F854 HydrophobicContact CD2-CD2 3.99Å; L840-F854 PolarHBondContact N-O 2.81Å; L840-F854 PolarHBondContact O-N 3.21Å; L840-I856 HydrophobicContact CB-CG1 4.46Å |
| 841 | F | 92.3 | Very high | 85 | Confident | 42 Ų | 42 | 55 Ų | 55 | 18% | 0.184 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 139.2 | 178.3 | -63.3 | -101.5 | 0 | 0 | 0 | 109.9 | V803 T804 L806 S852 P853 | V803-F841 WeakPolarHBondContact CA-O 3.41Å; T804-F841 PolarHBondContact N-O 3.01Å; T804-F841 VanDerWaalsContact N-O 3.12Å; T804-F841 PolarHBondContact O-N 3.47Å; L806-F841 HydrophobicContact CD1-CE2 4.32Å; F841-S852 WeakPolarHBondContact CA-OG 3.48Å; F841-P853 HydrophobicContact CD1-CB 3.68Å; F841-P853 HydrophobicContact CD1-CG 4.19Å; F841-P853 HydrophobicContact CD2-CB 4.27Å; F841-P853 HydrophobicContact CE1-CB 3.68Å; F841-P853 HydrophobicContact CE1-CG 3.78Å; F841-P853 HydrophobicContact CE2-CB 4.26Å; F841-P853 HydrophobicContact CG-CB 3.98Å; F841-P853 HydrophobicContact CZ-CB 3.97Å; F841-P853 HydrophobicContact CZ-CG 4.17Å |
| 842 | V | 93.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 123.7 | 173 | -175.5 | 0 | 0 | 0 | 0 | 108.6 | F789 V791 L801 E802 V803 L840 I849 S852 F854 | F789-V842 HydrophobicContact CE2-CG2 4.04Å; F789-V842 HydrophobicContact CZ-CG2 3.9Å; V791-V842 HydrophobicContact CG2-CG1 4.46Å; L801-V842 HydrophobicContact CD1-CG1 3.7Å; E802-V842 WeakPolarHBondContact O-CA 3.49Å; V803-V842 HydrophobicContact CG1-CG2 4.41Å; V803-V842 HydrophobicContact CG2-CG1 4.33Å; V803-V842 HydrophobicContact CG2-CG2 4.32Å; L840-V842 HydrophobicContact CD2-CG2 3.56Å; V842-I849 HydrophobicContact CB-CD1 3.85Å; V842-I849 HydrophobicContact CB-CG1 3.93Å; V842-I849 HydrophobicContact CG1-CD1 3.5Å; V842-I849 VanDerWaalsContact CG1-CD1 3.5Å; V842-I849 HydrophobicContact CG1-CG1 3.95Å; V842-I849 HydrophobicContact CG1-CG2 4.49Å; V842-I849 PolarHBondContact O-N 3.31Å; V842-I849 VanDerWaalsContact O-N 3.1Å; V842-S852 PolarHBondContact N-OG 2.86Å; V842-S852 WeakPolarHBondContact O-CB 3.34Å; V842-S852 PolarHBondContact O-OG 3.23Å; V842-F854 HydrophobicContact CB-CE2 4.45Å; V842-F854 HydrophobicContact CG2-CD2 4.38Å; V842-F854 HydrophobicContact CG2-CE2 4.07Å |
| 843 | R | 90.6 | Very high | 85.5 | Confident | 65 Ų | 65 | 55.6 Ų | 55.6 | 25% | 0.245 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 143.5 | 179.2 | -49 | -167.7 | -164.7 | 99.4 | 7.9 | 111.3 | L801 E802 K847 D848 | L801-R843 WeakPolarHBondContact CA-O 3.24Å; E802-R843 HydrophobicContact CB-CB 4.22Å; E802-R843 PolarHBondContact N-O 2.77Å; E802-R843 PolarHBondContact O-N 2.82Å; E802-R843 WeakPolarHBondContact OE2-CD 3.27Å; E802-R843 IonicContact OE2-CZ 3.34Å; E802-R843 IonicContact OE2-NE 2.67Å; E802-R843 IonicContact OE2-NH1 3.66Å; E802-R843 PolarHBondContact OE2-NH1 2.84Å; R843-K847 CarbonylContact C-O 3.34Å; R843-K847 WeakPolarHBondContact CA-O 3.42Å; R843-K847 WeakPolarHBondContact CB-O 3.2Å; R843-D848 IonicContact NE-OD1 3.22Å; R843-D848 IonicContact NE-OD2 3.77Å |
| 844 | F | 84.8 | Confident | 86.2 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.009 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 121.4 | 170.7 | -164.8 | -117.2 | 0 | 0 | 0 | 109.3 | P767 V770 C793 A796 G797 G799 E800 L801 G846 K847 I849 | P767-F844 HydrophobicContact CB-CB 4.26Å; P767-F844 HydrophobicContact CB-CD1 4.48Å; P767-F844 HydrophobicContact CG-CD1 4.32Å; P767-F844 WeakPolarHBondContact CG-O 3.4Å; V770-F844 HydrophobicContact CG2-CB 3.88Å; V770-F844 HydrophobicContact CG2-CD1 3.68Å; V770-F844 HydrophobicContact CG2-CD2 4.45Å; V770-F844 HydrophobicContact CG2-CE1 4.29Å; V770-F844 HydrophobicContact CG2-CG 3.76Å; C793-F844 HydrophobicContact CB-CE2 3.98Å; C793-F844 HydrophobicContact CB-CZ 3.92Å; A796-F844 HydrophobicContact CB-CD1 4.15Å; A796-F844 HydrophobicContact CB-CE1 3.78Å; G797-F844 WeakPolarHBondContact O-CE1 3.44Å; G797-F844 VanDerWaalsContact O-CZ 3.29Å; G797-F844 WeakPolarHBondContact O-CZ 3.42Å; G799-F844 VanDerWaalsContact C-CE2 3.46Å; G799-F844 VanDerWaalsContact CA-CZ 3.48Å; G799-F844 WeakPolarHBondContact O-CE2 3.38Å; E800-F844 CarbonylContact O-C 3.56Å; E800-F844 WeakPolarHBondContact O-CA 3.32Å; L801-F844 HydrophobicContact CB-CD2 4.38Å; L801-F844 HydrophobicContact CD1-CD2 4.36Å; F844-G846 VanDerWaalsContact C-N 3.33Å; F844-G846 PolarHBondContact O-N 3.3Å; F844-K847 PolarHBondContact N-O 2.92Å; F844-K847 PolarHBondContact O-N 2.66Å; F844-I849 HydrophobicContact CB-CG2 3.84Å |
| 845 | N | 81.3 | Confident | 86.6 | Confident | 94 Ų | 94 | 51.2 Ų | 51.2 | 50% | 0.503 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 51.2 | -174.4 | -158.6 | -2.9 | 0 | 0 | 0 | 112.2 | E800 K847 | E800-N845 PolarHBondContact O-N 2.76Å; N845-K847 VanDerWaalsContact C-N 3.26Å; N845-K847 PolarHBondContact O-N 2.65Å |
| 846 | G | 78.6 | Confident | 87.1 | Confident | 52 Ų | 52 | 48.9 Ų | 48.9 | 54% | 0.536 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 1.7 | 179 | 0 | 0 | 0 | 0 | 0 | 116.6 | F844 | F844-G846 VanDerWaalsContact C-N 3.33Å; F844-G846 PolarHBondContact O-N 3.3Å |
| 847 | K | 79.4 | Confident | 87.3 | Confident | 143 Ų | 143 | 52.6 Ų | 52.6 | 62% | 0.622 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 133.2 | 178.1 | -68.8 | -176.6 | 179 | 177 | 0 | 112.2 | P767 R843 F844 N845 I849 | P767-K847 HydrophobicContact CB-CB 4.4Å; P767-K847 HydrophobicContact CG-CB 4.38Å; R843-K847 CarbonylContact C-O 3.34Å; R843-K847 WeakPolarHBondContact CA-O 3.42Å; R843-K847 WeakPolarHBondContact CB-O 3.2Å; F844-K847 PolarHBondContact N-O 2.92Å; F844-K847 PolarHBondContact O-N 2.66Å; N845-K847 VanDerWaalsContact C-N 3.26Å; N845-K847 PolarHBondContact O-N 2.65Å; K847-I849 PolarHBondContact O-N 3.39Å |
| 848 | D | 84.4 | Confident | 87.2 | Confident | 80 Ų | 80 | 49.5 Ų | 49.5 | 43% | 0.428 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.3 | 132.9 | 173.1 | -72.6 | -76.8 | 0 | 0 | 0 | 112.2 | R843 S852 | R843-D848 IonicContact NE-OD1 3.22Å; R843-D848 IonicContact NE-OD2 3.77Å; D848-S852 PolarHBondContact OD1-OG 3.05Å |
| 849 | I | 91.4 | Very high | 86.9 | Confident | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 164.3 | 176.9 | 71.9 | 166.2 | 0 | 0 | 0 | 110.8 | V770 A772 V791 V842 F844 K847 G851 S852 | V770-I849 HydrophobicContact CB-CB 4.2Å; V770-I849 HydrophobicContact CB-CG2 3.87Å; V770-I849 HydrophobicContact CG1-CB 4.25Å; V770-I849 HydrophobicContact CG1-CD1 3.93Å; V770-I849 HydrophobicContact CG1-CG2 3.83Å; V770-I849 HydrophobicContact CG2-CG2 4.31Å; A772-I849 HydrophobicContact CB-CD1 3.64Å; V791-I849 HydrophobicContact CG1-CD1 4.5Å; V842-I849 HydrophobicContact CB-CD1 3.85Å; V842-I849 HydrophobicContact CB-CG1 3.93Å; V842-I849 HydrophobicContact CG1-CD1 3.5Å; V842-I849 VanDerWaalsContact CG1-CD1 3.5Å; V842-I849 HydrophobicContact CG1-CG1 3.95Å; V842-I849 HydrophobicContact CG1-CG2 4.49Å; V842-I849 PolarHBondContact O-N 3.31Å; V842-I849 VanDerWaalsContact O-N 3.1Å; F844-I849 HydrophobicContact CB-CG2 3.84Å; K847-I849 PolarHBondContact O-N 3.39Å; I849-G851 PolarHBondContact O-N 2.89Å; I849-G851 VanDerWaalsContact O-N 3.1Å; I849-S852 WeakPolarHBondContact O-CB 3.47Å; I849-S852 PolarHBondContact O-N 3.38Å |
| 850 | P | 85.5 | Confident | 86.1 | Confident | 75 Ų | 75 | 51.2 Ų | 51.2 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 118.4 | 174.4 | -26.8 | 35.9 | 0 | 0 | 0 | 112.6 | ||
| 851 | G | 85.2 | Confident | 85.4 | Confident | 52 Ų | 52 | 53 Ų | 53 | 54% | 0.536 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101 | -15.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | I849 P853 | I849-G851 PolarHBondContact O-N 2.89Å; I849-G851 VanDerWaalsContact O-N 3.1Å; G851-P853 CarbonylContact O-C 3.48Å |
| 852 | S | 91.6 | Very high | 84.5 | Confident | 22 Ų | 22 | 51.3 Ų | 51.3 | 15% | 0.154 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 138.3 | 174.8 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | F841 V842 D848 I849 | F841-S852 WeakPolarHBondContact CA-OG 3.48Å; V842-S852 PolarHBondContact N-OG 2.86Å; V842-S852 WeakPolarHBondContact O-CB 3.34Å; V842-S852 PolarHBondContact O-OG 3.23Å; D848-S852 PolarHBondContact OD1-OG 3.05Å; I849-S852 WeakPolarHBondContact O-CB 3.47Å; I849-S852 PolarHBondContact O-N 3.38Å |
| 853 | P | 88.3 | Confident | 83.5 | Confident | 41 Ų | 41 | 55.1 Ų | 55.1 | 27% | 0.266 | 31% | 0.314 | S | S | . | . | S | Bend | cis | -82.2 | 140 | -8.1 | 31.3 | -33.3 | 0 | 0 | 0 | 113.6 | L840 F841 G851 | L840-P853 CarbonylContact O-C 3.4Å; L840-P853 VanDerWaalsContact O-CA 3.23Å; L840-P853 WeakPolarHBondContact O-CA 3.37Å; L840-P853 WeakPolarHBondContact O-CB 3.43Å; F841-P853 HydrophobicContact CD1-CB 3.68Å; F841-P853 HydrophobicContact CD1-CG 4.19Å; F841-P853 HydrophobicContact CD2-CB 4.27Å; F841-P853 HydrophobicContact CE1-CB 3.68Å; F841-P853 HydrophobicContact CE1-CG 3.78Å; F841-P853 HydrophobicContact CE2-CB 4.26Å; F841-P853 HydrophobicContact CG-CB 3.98Å; F841-P853 HydrophobicContact CZ-CB 3.97Å; F841-P853 HydrophobicContact CZ-CG 4.17Å; G851-P853 CarbonylContact O-C 3.48Å |
| 854 | F | 90.1 | Very high | 82.7 | Confident | 39 Ų | 39 | 52.8 Ų | 52.8 | 17% | 0.171 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 139.9 | 174.2 | -54.8 | -91.5 | 0 | 0 | 0 | 110.1 | A772 L777 R839 L840 V842 I856 | A772-F854 HydrophobicContact CB-CZ 4.22Å; L777-F854 HydrophobicContact CD1-CD1 4.34Å; L777-F854 HydrophobicContact CD1-CE1 4.09Å; L777-F854 HydrophobicContact CD1-CZ 4.25Å; L777-F854 HydrophobicContact CD2-CB 4.14Å; L777-F854 HydrophobicContact CD2-CD1 4.14Å; L777-F854 HydrophobicContact CD2-CD2 4.12Å; L777-F854 HydrophobicContact CD2-CG 3.87Å; R839-F854 CarbonylContact C-O 3.48Å; R839-F854 WeakPolarHBondContact CA-O 3.3Å; L840-F854 HydrophobicContact CD2-CD2 3.99Å; L840-F854 PolarHBondContact N-O 2.81Å; L840-F854 PolarHBondContact O-N 3.21Å; V842-F854 HydrophobicContact CB-CE2 4.45Å; V842-F854 HydrophobicContact CG2-CD2 4.38Å; V842-F854 HydrophobicContact CG2-CE2 4.07Å; F854-I856 HydrophobicContact CB-CD1 4.3Å |
| 855 | N | 87.3 | Confident | 82 | Confident | 105 Ų | 105 | 56.5 Ų | 56.5 | 56% | 0.561 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 120 | 176.1 | -54.2 | -67 | 0 | 0 | 0 | 109.6 | N838 R839 | N838-N855 CarbonylContact O-C 3.57Å; N838-N855 WeakPolarHBondContact O-CA 3.45Å; R839-N855 PolarHBondContact NE-OD1 2.99Å |
| 856 | I | 87.4 | Confident | 81.5 | Confident | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 115.3 | -171.6 | -52 | -57.8 | 0 | 0 | 0 | 110.2 | L777 V781 N838 L840 F854 V858 | L777-I856 HydrophobicContact CD2-CD1 4.39Å; V781-I856 HydrophobicContact CB-CG2 3.95Å; V781-I856 HydrophobicContact CG1-CG2 4.12Å; V781-I856 HydrophobicContact CG2-CG2 3.78Å; N838-I856 PolarHBondContact N-O 3.33Å; N838-I856 PolarHBondContact ND2-O 3.32Å; N838-I856 PolarHBondContact O-N 2.89Å; L840-I856 HydrophobicContact CB-CG1 4.46Å; F854-I856 HydrophobicContact CB-CD1 4.3Å; I856-V858 HydrophobicContact CG2-CG2 4.01Å |
| 857 | V | 85.1 | Confident | 81.4 | Confident | 91 Ų | 91 | 54.4 Ų | 54.4 | 55% | 0.552 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 125.1 | 172.7 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | T837 | T837-V857 HydrophobicContact CG2-CG2 4.25Å |
| 858 | V | 82.9 | Confident | 81.2 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.024 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 116.7 | -175.2 | -178.4 | 0 | 0 | 0 | 0 | 110 | V781 T783 V832 P835 G836 N838 I856 | V781-V858 HydrophobicContact CB-CG2 4.31Å; V781-V858 HydrophobicContact CG1-CG1 4.41Å; V781-V858 HydrophobicContact CG1-CG2 3.81Å; V781-V858 WeakPolarHBondContact O-CA 3.45Å; T783-V858 HydrophobicContact CG2-CG1 3.61Å; V832-V858 HydrophobicContact CB-CG1 4.25Å; V832-V858 HydrophobicContact CB-CG2 4.42Å; V832-V858 HydrophobicContact CG1-CG1 4.39Å; V832-V858 HydrophobicContact CG2-CG2 4.26Å; P835-V858 CarbonylContact C-O 3.27Å; P835-V858 VanDerWaalsContact CA-O 3.26Å; P835-V858 WeakPolarHBondContact CA-O 3.32Å; P835-V858 WeakPolarHBondContact CB-O 3.49Å; G836-V858 PolarHBondContact N-O 3.2Å; G836-V858 PolarHBondContact O-N 2.68Å; N838-V858 WeakPolarHBondContact ND2-CG2 3.29Å; I856-V858 HydrophobicContact CG2-CG2 4.01Å |
| 859 | E | 80.2 | Confident | 80.8 | Confident | 98 Ų | 98 | 52.5 Ų | 52.5 | 46% | 0.458 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 157.8 | 175.2 | -67.6 | -179.1 | 170.3 | 0 | 0 | 111.8 | V781 K782 T783 Y861 | V781-E859 PolarHBondContact O-N 3.29Å; K782-E859 CarbonylContact C-O 3.58Å; K782-E859 VanDerWaalsContact CA-O 3.28Å; K782-E859 WeakPolarHBondContact CA-O 3.48Å; K782-E859 WeakPolarHBondContact CE-OE2 3.27Å; K782-E859 HydrophobicContact CG-CB 4.16Å; T783-E859 PolarHBondContact N-O 3.05Å; E859-Y861 PolarHBondContact O-N 3.32Å |
| 860 | P | 75.3 | Confident | 79.7 | Confident | 60 Ų | 60 | 54.7 Ų | 54.7 | 39% | 0.39 | 32% | 0.318 | S | S | . | . | trans | -61.8 | 132.6 | 170.1 | 26.6 | -34.3 | 0 | 0 | 0 | 111 | L862 | P860-L862 PolarHBondContact O-N 3.12Š| ||
| 861 | Y | 77.4 | Confident | 78.8 | Confident | 38 Ų | 38 | 53.4 Ų | 53.4 | 15% | 0.149 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -57.1 | -31.5 | -179.5 | 83.9 | -68.5 | 0 | 0 | 0 | 114.6 | T783 K784 E859 V910 D958 L960 | T783-Y861 WeakPolarHBondContact O-CB 3.32Å; T783-Y861 WeakPolarHBondContact OG1-CB 3.17Å; T783-Y861 WeakPolarHBondContact OG1-CD1 3.33Å; T783-Y861 PolarHBondContact OG1-N 3.4Å; K784-Y861 HydrophobicContact CB-CD2 4.22Å; K784-Y861 HydrophobicContact CB-CG 4.25Å; K784-Y861 HydrophobicContact CD-CD1 4.21Å; K784-Y861 HydrophobicContact CD-CD2 4.29Å; K784-Y861 HydrophobicContact CD-CE1 3.97Å; K784-Y861 HydrophobicContact CD-CE2 4.03Å; K784-Y861 HydrophobicContact CD-CG 4.4Å; K784-Y861 HydrophobicContact CG-CD1 4.36Å; K784-Y861 HydrophobicContact CG-CG 4.37Å; E859-Y861 PolarHBondContact O-N 3.32Å; Y861-V910 HydrophobicContact CD2-CG2 4.29Å; Y861-V910 HydrophobicContact CE2-CB 4.3Å; Y861-V910 HydrophobicContact CE2-CG1 3.86Å; Y861-V910 HydrophobicContact CE2-CG2 3.41Å; Y861-V910 VanDerWaalsContact CE2-CG2 3.41Å; Y861-V910 WeakPolarHBondContact OH-CG1 3.48Å; Y861-D958 PolarHBondContact OH-OD2 2.87Å; Y861-L960 HydrophobicContact CD1-CD1 4.39Å; Y861-L960 HydrophobicContact CE1-CD1 3.98Å |
| 862 | L | 74.9 | Confident | 77.9 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | trans | -122 | 110 | -169.9 | -160.1 | 64.7 | 0 | 0 | 0 | 110.1 | P860 L864 V906 R909 V910 Y957 L960 | P860-L862 PolarHBondContact O-N 3.12Å; L862-L864 HydrophobicContact CD2-CD2 3.71Å; L862-L864 HydrophobicContact CG-CD2 4.02Å; L862-L864 PolarHBondContact O-N 2.85Å; L862-V906 HydrophobicContact CD1-CB 3.7Å; L862-V906 HydrophobicContact CD1-CG1 3.99Å; L862-V906 HydrophobicContact CD2-CB 4Å; L862-V906 HydrophobicContact CD2-CG2 4.43Å; L862-V906 HydrophobicContact CG-CB 3.89Å; L862-V906 HydrophobicContact CG-CG1 4.02Å; L862-R909 HydrophobicContact CD1-CB 4.3Å; L862-V910 HydrophobicContact CD1-CG2 3.45Å; L862-V910 VanDerWaalsContact CD1-CG2 3.45Å; L862-V910 HydrophobicContact CD2-CG2 3.87Å; L862-V910 HydrophobicContact CG-CG2 4.23Å; L862-Y957 HydrophobicContact CD2-CD1 3.72Å; L862-Y957 HydrophobicContact CD2-CE1 3.46Å; L862-Y957 VanDerWaalsContact CD2-CE1 3.46Å; L862-L960 HydrophobicContact CB-CD1 4.46Å | ||
| 863 | D | 73 | Confident | 76 | Confident | 80 Ų | 80 | 58.3 Ų | 58.3 | 43% | 0.428 | 33% | 0.325 | S | S | . | . | trans | -76 | 106.6 | 168.5 | -175.6 | 6.2 | 0 | 0 | 0 | 109.4 | S865 V906 | D863-S865 VanDerWaalsContact C-N 3.25Å; D863-S865 PolarHBondContact O-N 3.37Å; D863-S865 WeakPolarHBondContact OD1-CB 3.14Å; D863-S865 PolarHBondContact OD1-N 2.64Å; D863-S865 PolarHBondContact OD1-OG 2.74Å; D863-V906 WeakPolarHBondContact O-CG1 3.48Å | ||
| 864 | L | 73.2 | Confident | 73.9 | Confident | 17 Ų | 17 | 57.7 Ų | 57.7 | 9% | 0.089 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -79.9 | -0.5 | 177.2 | -62.9 | -176.9 | 0 | 0 | 0 | 113.4 | L862 D866 V867 V906 Y957 L960 V962 | L862-L864 HydrophobicContact CD2-CD2 3.71Å; L862-L864 HydrophobicContact CG-CD2 4.02Å; L862-L864 PolarHBondContact O-N 2.85Å; L864-D866 PolarHBondContact O-N 3.27Å; L864-D866 VanDerWaalsContact O-N 3.11Å; L864-V867 HydrophobicContact CB-CG2 4.22Å; L864-V867 HydrophobicContact CD2-CG2 3.94Å; L864-V867 WeakPolarHBondContact O-CB 3.36Å; L864-V867 WeakPolarHBondContact O-CG2 3.48Å; L864-V867 PolarHBondContact O-N 3.07Å; L864-V906 HydrophobicContact CD2-CG1 4.32Å; L864-V906 HydrophobicContact CD2-CG2 4.16Å; L864-Y957 HydrophobicContact CD2-CD1 4.01Å; L864-Y957 HydrophobicContact CD2-CG 4.2Å; L864-L960 HydrophobicContact CD1-CB 3.65Å; L864-V962 HydrophobicContact CD1-CG2 4.31Å |
| 865 | S | 69.5 | Low | 71.4 | Confident | 80 Ų | 80 | 61.5 Ų | 61.5 | 56% | 0.559 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -60 | -24.8 | -177.1 | -56.2 | 0 | 0 | 0 | 0 | 113.8 | D863 | D863-S865 VanDerWaalsContact C-N 3.25Å; D863-S865 PolarHBondContact O-N 3.37Å; D863-S865 WeakPolarHBondContact OD1-CB 3.14Å; D863-S865 PolarHBondContact OD1-N 2.64Å; D863-S865 PolarHBondContact OD1-OG 2.74Å |
| 866 | D | 72.2 | Confident | 69 | Low | 84 Ų | 84 | 64.7 Ų | 64.7 | 45% | 0.449 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -89.1 | 1.9 | 177.3 | -79.8 | -22 | 0 | 0 | 0 | 114.1 | L864 Q868 T905 | L864-D866 PolarHBondContact O-N 3.27Å; L864-D866 VanDerWaalsContact O-N 3.11Å; D866-Q868 PolarHBondContact O-N 3.32Å; D866-T905 HydrophobicContact CB-CG2 3.96Å; D866-T905 PolarHBondContact O-OG1 3.49Å |
| 867 | V | 75.3 | Confident | 66.7 | Low | 18 Ų | 18 | 71.2 Ų | 71.2 | 11% | 0.109 | 39% | 0.387 | C | S | . | . | trans | -76.7 | 123 | 176.1 | 177.7 | 0 | 0 | 0 | 0 | 109.7 | L864 V901 A903 V906 V962 | L864-V867 HydrophobicContact CB-CG2 4.22Å; L864-V867 HydrophobicContact CD2-CG2 3.94Å; L864-V867 WeakPolarHBondContact O-CB 3.36Å; L864-V867 WeakPolarHBondContact O-CG2 3.48Å; L864-V867 PolarHBondContact O-N 3.07Å; V867-V901 HydrophobicContact CG1-CG1 3.51Å; V867-A903 HydrophobicContact CG1-CB 4.32Å; V867-A903 HydrophobicContact CG2-CB 4.4Å; V867-V906 HydrophobicContact CG2-CG1 4.18Å; V867-V906 HydrophobicContact CG2-CG2 3.56Å; V867-V962 HydrophobicContact CB-CG1 4.03Å; V867-V962 HydrophobicContact CG1-CG1 3.63Å | ||
| 868 | Q | 74.7 | Confident | 64.4 | Low | 127 Ų | 127 | 77.3 Ų | 77.3 | 59% | 0.593 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 149.6 | -177.9 | -58.9 | -172.3 | 10.2 | 0 | 0 | 111.5 | D866 V901 D902 | D866-Q868 PolarHBondContact O-N 3.32Å; Q868-V901 CarbonylContact O-C 3.49Å; Q868-V901 WeakPolarHBondContact O-CA 3.37Å; Q868-D902 HydrophobicContact CB-CB 4.31Å; Q868-D902 PolarHBondContact N-O 2.84Å; Q868-D902 PolarHBondContact O-N 3.48Å |
| 869 | I | 76.8 | Confident | 62.5 | Low | 56 Ų | 56 | 82.8 Ų | 82.8 | 29% | 0.287 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 123.6 | 178.2 | -56 | 171.9 | 0 | 0 | 0 | 107.6 | F899 V901 L955 V962 T963 L967 | I869-F899 HydrophobicContact CG2-CD2 3.69Å; I869-F899 HydrophobicContact CG2-CE2 4.11Å; I869-V901 HydrophobicContact CG1-CG1 4.48Å; I869-L955 HydrophobicContact CD1-CD2 3.67Å; I869-L955 HydrophobicContact CG1-CD2 4.3Å; I869-V962 HydrophobicContact CD1-CG1 4.46Å; I869-T963 HydrophobicContact CD1-CG2 4.03Å; I869-L967 HydrophobicContact CD1-CD1 4.09Å; I869-L967 HydrophobicContact CD1-CD2 4.14Å; I869-L967 HydrophobicContact CG2-CD1 4.36Å |
| 870 | S | 68.9 | Low | 60.2 | Low | 51 Ų | 51 | 85.6 Ų | 85.6 | 36% | 0.357 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 149.3 | -170.6 | 61.7 | 0 | 0 | 0 | 0 | 111.6 | F899 V900 | S870-F899 CarbonylContact O-C 3.49Å; S870-F899 WeakPolarHBondContact O-CA 3.33Å; S870-F899 VanDerWaalsContact O-CB 3.3Å; S870-F899 WeakPolarHBondContact O-CB 3.38Å; S870-V900 PolarHBondContact N-O 2.72Å; S870-V900 PolarHBondContact O-N 3.44Å; S870-V900 PolarHBondContact OG-O 2.78Å; S870-V900 VanDerWaalsContact OG-O 3.09Å |
| 871 | G | 65 | Low | 58 | Low | 48 Ų | 48 | 91.9 Ų | 91.9 | 50% | 0.495 | 47% | 0.468 | S | S | . | . | S | Bend | trans | 94.6 | -26.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | E873 | G871-E873 PolarHBondContact O-N 3Š|
| 872 | L | 66.1 | Low | 56 | Low | 19 Ų | 19 | 98.6 Ų | 98.6 | 10% | 0.099 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -86.1 | 62.7 | 164.1 | -63.7 | -175 | 0 | 0 | 0 | 110.5 | S874 V889 F899 F943 L953 L967 V969 | L872-S874 PolarHBondContact O-N 3.08Å; L872-S874 VanDerWaalsContact O-N 3.16Å; L872-V889 HydrophobicContact CB-CG2 4.21Å; L872-F899 HydrophobicContact CD1-CB 4.42Å; L872-F899 HydrophobicContact CD1-CD1 4.04Å; L872-F899 HydrophobicContact CD1-CD2 4.47Å; L872-F899 HydrophobicContact CD1-CE1 4.34Å; L872-F899 HydrophobicContact CD1-CG 4.09Å; L872-F899 HydrophobicContact CD2-CB 4.24Å; L872-F899 HydrophobicContact CD2-CD1 4.35Å; L872-F899 HydrophobicContact CG-CB 3.74Å; L872-F899 HydrophobicContact CG-CD1 4.12Å; L872-F899 HydrophobicContact CG-CG 3.96Å; L872-F943 HydrophobicContact CD2-CE1 4.36Å; L872-F943 HydrophobicContact CD2-CZ 4.27Å; L872-L953 HydrophobicContact CD1-CD1 4.05Å; L872-L967 HydrophobicContact CD1-CB 4.47Å; L872-L967 HydrophobicContact CD1-CD1 4Å; L872-V969 HydrophobicContact CD1-CG1 4.05Å; L872-V969 HydrophobicContact CD2-CG1 3.8Å |
| 873 | E | 53.2 | Low | 54.1 | Low | 157 Ų | 157 | 104.9 Ų | 104.9 | 73% | 0.734 | 54% | 0.537 | S | S | * | . | trans | -83 | 97.7 | -173.9 | -73.5 | -166.6 | -149.2 | 0 | 0 | 113.7 | G871 | G871-E873 PolarHBondContact O-N 3Š| ||
| 874 | S | 44.4 | Very low | 52.2 | Low | 29 Ų | 29 | 106.4 Ų | 106.4 | 20% | 0.203 | 55% | 0.554 | C | S | . | * | -112.8 | 134.7 | 129 | 57.9 | 0 | 0 | 0 | 0 | 108.6 | L872 K876 | L872-S874 PolarHBondContact O-N 3.08Å; L872-S874 VanDerWaalsContact O-N 3.16Å; S874-K876 PolarHBondContact O-N 3.39Å | |||
| 875 | S | 37.3 | Very low | 50.4 | Low | 119 Ų | 119 | 110.7 Ų | 110.7 | 83% | 0.832 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | 32.6 | -156.5 | 53.3 | 0 | 0 | 0 | 0 | 116.3 | ||
| 876 | K | 36.4 | Very low | 49.1 | Very low | 172 Ų | 172 | 113.3 Ų | 113.3 | 75% | 0.748 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.1 | 4.7 | -172.9 | -76.2 | -168.1 | 174.3 | -176.8 | 0 | 117 | S874 R878 | S874-K876 PolarHBondContact O-N 3.39Å; K876-R878 PolarHBondContact O-N 3.33Å |
| 877 | W | 39.5 | Very low | 47.9 | Very low | 143 Ų | 143 | 113.4 Ų | 113.4 | 54% | 0.542 | 59% | 0.59 | S | S | . | * | trans | -74.7 | 57.2 | 172.5 | -63 | 96 | 0 | 0 | 0 | 112.9 | ||||
| 878 | R | 36.9 | Very low | 47.3 | Very low | 219 Ų | 219 | 113.6 Ų | 113.6 | 83% | 0.826 | 59% | 0.592 | S | S | * | * | trans | -92.9 | 123.6 | 164.6 | -75.2 | -169.9 | 174.5 | -158.7 | -1.8 | 109.1 | K876 H880 | K876-R878 PolarHBondContact O-N 3.33Å; R878-H880 PolarHBondContact O-N 2.96Å | ||
| 879 | T | 41.7 | Very low | 47.1 | Very low | 118 Ų | 118 | 108.4 Ų | 108.4 | 72% | 0.724 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 16.9 | -167.5 | 39.8 | 0 | 0 | 0 | 0 | 116.7 | ||
| 880 | H | 33.5 | Very low | 46.9 | Very low | 158 Ų | 158 | 110.1 Ų | 110.1 | 73% | 0.731 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.3 | 4.1 | -171 | -70.9 | -8.6 | 0 | 0 | 0 | 115.9 | R878 | R878-H880 PolarHBondContact O-N 2.96Š|
| 881 | F | 28.6 | Very low | 47.5 | Very low | 191 Ų | 191 | 108.1 Ų | 108.1 | 84% | 0.838 | 56% | 0.564 | S | S | * | * | trans | -115 | 105.8 | 169.9 | -80.9 | -84.9 | 0 | 0 | 0 | 112.1 | ||||
| 882 | F | 35.1 | Very low | 48.1 | Very low | 179 Ų | 179 | 107.9 Ų | 107.9 | 79% | 0.785 | 55% | 0.55 | S | S | * | . | trans | -57.9 | 163.6 | 157.5 | -69.6 | -108.5 | 0 | 0 | 0 | 109.8 | ||||
| 883 | T | 34.8 | Very low | 48.5 | Very low | 137 Ų | 137 | 108.5 Ų | 108.5 | 84% | 0.84 | 55% | 0.554 | S | S | * | * | S | Bend | trans | 82.1 | 23.5 | 169.4 | 81.2 | 0 | 0 | 0 | 0 | 120.5 | ||
| 884 | S | 33.9 | Very low | 49.2 | Very low | 113 Ų | 113 | 107.2 Ų | 107.2 | 79% | 0.79 | 55% | 0.552 | S | S | * | * | trans | -142.6 | 98.5 | 160.6 | -84.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 885 | P | 35.3 | Very low | 50.3 | Low | 106 Ų | 106 | 106.6 Ų | 106.6 | 69% | 0.688 | 55% | 0.549 | S | S | * | . | trans | -78.7 | 176.2 | 160.5 | 35.4 | -34.4 | 0 | 0 | 0 | 111.4 | ||||
| 886 | L | 42.4 | Very low | 52 | Low | 135 Ų | 135 | 103.5 Ų | 103.5 | 71% | 0.707 | 53% | 0.525 | S | S | * | . | trans | 84.3 | 13.2 | 164.1 | -51.8 | 171.4 | 0 | 0 | 0 | 120.3 | ||||
| 887 | L | 47.1 | Very low | 53.9 | Low | 86 Ų | 86 | 95.4 Ų | 95.4 | 45% | 0.45 | 49% | 0.49 | S | S | . | . | trans | -82.4 | 115.7 | 160.5 | -91.4 | 82.7 | 0 | 0 | 0 | 110.9 | ||||
| 888 | S | 61.1 | Low | 55.8 | Low | 23 Ų | 23 | 90.1 Ų | 90.1 | 16% | 0.161 | 47% | 0.471 | C | S | . | . | trans | -87.8 | 157.9 | 162 | 15 | 0 | 0 | 0 | 0 | 110.8 | K950 L968 E970 | S888-K950 PolarHBondContact OG-NZ 2.83Å; S888-L968 WeakPolarHBondContact CA-O 3.27Å; S888-E970 WeakPolarHBondContact CB-OE2 3.16Å; S888-E970 PolarHBondContact OG-OE2 3.36Å | ||
| 889 | V | 70.4 | Confident | 58 | Low | 17 Ų | 17 | 79.8 Ų | 79.8 | 10% | 0.103 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 133 | 168.1 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | L872 L968 V969 E970 | L872-V889 HydrophobicContact CB-CG2 4.21Å; V889-L968 PolarHBondContact N-O 2.89Å; V889-V969 HydrophobicContact CB-CG1 4.5Å; V889-V969 CarbonylContact O-C 3.53Å; V889-V969 WeakPolarHBondContact O-CA 3.38Å; V889-E970 PolarHBondContact O-N 2.94Å |
| 890 | D | 74.2 | Confident | 59.9 | Low | 93 Ų | 93 | 76 Ų | 76 | 50% | 0.497 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 130.6 | -179.4 | -78.6 | 6.9 | 0 | 0 | 0 | 111.9 | E970 K972 | D890-E970 WeakPolarHBondContact CA-O 3.31Å; D890-K972 WeakPolarHBondContact OD1-CE 3.38Å; D890-K972 IonicContact OD1-NZ 2.89Å; D890-K972 PolarHBondContact OD1-NZ 2.82Å; D890-K972 WeakPolarHBondContact OD2-CD 3.31Å; D890-K972 IonicContact OD2-NZ 3.16Å; D890-K972 PolarHBondContact OD2-NZ 2.97Å |
| 891 | V | 80.2 | Confident | 62.4 | Low | 8 Ų | 8 | 68.5 Ų | 68.5 | 5% | 0.048 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 158.8 | 179.5 | -74.9 | 0 | 0 | 0 | 0 | 110.3 | N897 F943 P945 V969 E970 A971 K972 | V891-N897 HydrophobicContact CB-CB 4.18Å; V891-N897 WeakPolarHBondContact CB-OD1 3.14Å; V891-N897 HydrophobicContact CG1-CB 3.91Å; V891-F943 HydrophobicContact CG1-CE2 4.38Å; V891-F943 HydrophobicContact CG1-CZ 3.98Å; V891-F943 HydrophobicContact CG2-CE2 4.37Å; V891-P945 HydrophobicContact CG2-CG 3.9Å; V891-V969 HydrophobicContact CG2-CB 4.21Å; V891-V969 HydrophobicContact CG2-CG2 4.47Å; V891-E970 WeakPolarHBondContact CG2-O 3.38Å; V891-E970 PolarHBondContact N-O 2.88Å; V891-A971 HydrophobicContact CG2-CB 4.21Å; V891-A971 CarbonylContact O-C 3.56Å; V891-A971 VanDerWaalsContact O-CA 3.3Å; V891-A971 WeakPolarHBondContact O-CA 3.41Å; V891-K972 PolarHBondContact O-N 2.8Å |
| 892 | F | 77.6 | Confident | 65 | Low | 44 Ų | 44 | 60.7 Ų | 60.7 | 19% | 0.193 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 133.1 | -179.7 | -66.1 | -54.1 | 0 | 0 | 0 | 112.4 | A895 N897 K972 G1004 | F892-A895 HydrophobicContact CB-CB 3.77Å; F892-A895 PolarHBondContact O-N 2.64Å; F892-N897 PolarHBondContact N-OD1 2.98Å; F892-N897 PolarHBondContact O-ND2 2.85Å; F892-K972 CarbonylContact C-O 3.47Å; F892-K972 VanDerWaalsContact CA-O 3.25Å; F892-K972 WeakPolarHBondContact CA-O 3.33Å; F892-G1004 WeakPolarHBondContact CD2-O 3.27Å |
| 893 | V | 76 | Confident | 67.1 | Low | 32 Ų | 32 | 52.1 Ų | 52.1 | 19% | 0.194 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 140.8 | 171.9 | 176.1 | 0 | 0 | 0 | 0 | 109.5 | A895 P945 A971 K972 I973 | V893-A895 PolarHBondContact O-N 3.14Å; V893-P945 WeakPolarHBondContact CA-O 3.25Å; V893-A971 HydrophobicContact CG2-CB 3.62Å; V893-K972 PolarHBondContact N-O 2.87Å; V893-I973 HydrophobicContact CB-CG1 4.41Å |
| 894 | D | 67 | Low | 69.2 | Low | 130 Ų | 130 | 49.5 Ų | 49.5 | 70% | 0.695 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 3.7 | -176.9 | -60.3 | -34.4 | 0 | 0 | 0 | 115.5 | P945 | D894-P945 PolarHBondContact N-O 3.17Å; D894-P945 VanDerWaalsContact N-O 3.11Å |
| 895 | A | 67.7 | Low | 71 | Confident | 16 Ų | 16 | 46.5 Ų | 46.5 | 13% | 0.132 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -90.4 | 144.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | F892 V893 N897 | F892-A895 HydrophobicContact CB-CB 3.77Å; F892-A895 PolarHBondContact O-N 2.64Å; V893-A895 PolarHBondContact O-N 3.14Å; A895-N897 PolarHBondContact O-N 2.65Å; A895-N897 PolarHBondContact O-ND2 2.61Å |
| 896 | V | 72.8 | Confident | 72.8 | Confident | 54 Ų | 54 | 41.5 Ų | 41.5 | 33% | 0.327 | 22% | 0.223 | S | C | . | . | trans | -67.8 | 116.3 | 162.6 | -177.8 | 0 | 0 | 0 | 0 | 107.7 | A942 R1003 G1004 | V896-A942 HydrophobicContact CG1-CB 4.16Å; V896-R1003 HydrophobicContact CB-CG 4.23Å; V896-R1003 HydrophobicContact CG1-CG 4.5Å; V896-G1004 PolarHBondContact O-N 3Å | ||
| 897 | N | 76.1 | Confident | 74 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.011 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 153.7 | 172 | -64.4 | -94.5 | 0 | 0 | 0 | 108.7 | V891 F892 A895 A942 F943 | V891-N897 HydrophobicContact CB-CB 4.18Å; V891-N897 WeakPolarHBondContact CB-OD1 3.14Å; V891-N897 HydrophobicContact CG1-CB 3.91Å; F892-N897 PolarHBondContact N-OD1 2.98Å; F892-N897 PolarHBondContact O-ND2 2.85Å; A895-N897 PolarHBondContact O-N 2.65Å; A895-N897 PolarHBondContact O-ND2 2.61Å; N897-A942 WeakPolarHBondContact O-CA 3.24Å; N897-F943 HydrophobicContact CB-CE1 4.07Å; N897-F943 HydrophobicContact CB-CE2 4.21Å; N897-F943 HydrophobicContact CB-CZ 3.9Å; N897-F943 PolarHBondContact N-O 3.2Å; N897-F943 WeakPolarHBondContact O-CD1 3.49Å; N897-F943 PolarHBondContact O-N 2.63Å |
| 898 | E | 79 | Confident | 74.8 | Confident | 32 Ų | 32 | 37.6 Ų | 37.6 | 15% | 0.15 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 156.7 | -168.8 | 63.7 | 178.6 | -130.7 | 0 | 0 | 112.6 | R940 V941 K981 | E898-R940 VanDerWaalsContact CD-NE 3.3Å; E898-R940 IonicContact OE1-CZ 2.7Å; E898-R940 IonicContact OE1-NE 3.17Å; E898-R940 PolarHBondContact OE1-NE 3.35Å; E898-R940 VanDerWaalsContact OE1-NE 3.09Å; E898-R940 IonicContact OE1-NH2 3.37Å; E898-R940 PolarHBondContact OE1-NH2 3.11Å; E898-R940 IonicContact OE2-CZ 2.66Å; E898-R940 IonicContact OE2-NE 3.74Å; E898-R940 PolarHBondContact OE2-NE 2.74Å; E898-R940 VanDerWaalsContact OE2-NE 3.08Å; E898-R940 IonicContact OE2-NH2 2.69Å; E898-R940 PolarHBondContact OE2-NH2 2.84Å; E898-V941 CarbonylContact C-O 3.51Å; E898-V941 VanDerWaalsContact CA-O 3.28Å; E898-V941 WeakPolarHBondContact CA-O 3.49Å; E898-K981 IonicContact OE1-NZ 2.82Å |
| 899 | F | 83.2 | Confident | 74.7 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 160.3 | 168.2 | 66.4 | -84.4 | 0 | 0 | 0 | 110.7 | I869 S870 L872 V901 V941 F943 L953 L967 | I869-F899 HydrophobicContact CG2-CD2 3.69Å; I869-F899 HydrophobicContact CG2-CE2 4.11Å; S870-F899 CarbonylContact O-C 3.49Å; S870-F899 WeakPolarHBondContact O-CA 3.33Å; S870-F899 VanDerWaalsContact O-CB 3.3Å; S870-F899 WeakPolarHBondContact O-CB 3.38Å; L872-F899 HydrophobicContact CD1-CB 4.42Å; L872-F899 HydrophobicContact CD1-CD1 4.04Å; L872-F899 HydrophobicContact CD1-CD2 4.47Å; L872-F899 HydrophobicContact CD1-CE1 4.34Å; L872-F899 HydrophobicContact CD1-CG 4.09Å; L872-F899 HydrophobicContact CD2-CB 4.24Å; L872-F899 HydrophobicContact CD2-CD1 4.35Å; L872-F899 HydrophobicContact CG-CB 3.74Å; L872-F899 HydrophobicContact CG-CD1 4.12Å; L872-F899 HydrophobicContact CG-CG 3.96Å; F899-V901 HydrophobicContact CD2-CG2 4.01Å; F899-V901 HydrophobicContact CE2-CG2 3.67Å; F899-V941 HydrophobicContact CD1-CB 4Å; F899-V941 HydrophobicContact CD1-CG1 4.3Å; F899-V941 HydrophobicContact CD2-CB 4.27Å; F899-V941 HydrophobicContact CE1-CB 3.64Å; F899-V941 HydrophobicContact CE1-CG1 3.52Å; F899-V941 HydrophobicContact CE2-CB 3.95Å; F899-V941 HydrophobicContact CE2-CG1 4.38Å; F899-V941 HydrophobicContact CE2-CG2 4.03Å; F899-V941 HydrophobicContact CG-CB 4.32Å; F899-V941 HydrophobicContact CZ-CB 3.64Å; F899-V941 HydrophobicContact CZ-CG1 3.59Å; F899-V941 HydrophobicContact CZ-CG2 4.06Å; F899-V941 PolarHBondContact N-O 2.97Å; F899-V941 PolarHBondContact O-N 2.83Å; F899-F943 HydrophobicContact CD1-CD1 4.22Å; F899-F943 AromaticContact CD1-CE1 3.89Å; F899-F943 HydrophobicContact CD1-CE1 3.89Å; F899-F943 HydrophobicContact CE1-CD1 4.25Å; F899-F943 HydrophobicContact CE1-CE1 4.21Å; F899-L953 HydrophobicContact CE1-CD1 3.71Å; F899-L953 HydrophobicContact CZ-CD1 4.11Å; F899-L967 HydrophobicContact CE2-CD1 4.28Å; F899-L967 HydrophobicContact CZ-CD1 4.35Å |
| 900 | V | 83.1 | Confident | 74.1 | Confident | 39 Ų | 39 | 44.5 Ų | 44.5 | 24% | 0.236 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 121.3 | 178.6 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | S870 T938 Y939 R940 | S870-V900 PolarHBondContact N-O 2.72Å; S870-V900 PolarHBondContact O-N 3.44Å; S870-V900 PolarHBondContact OG-O 2.78Å; S870-V900 VanDerWaalsContact OG-O 3.09Å; V900-T938 HydrophobicContact CG1-CG2 4.24Å; V900-Y939 WeakPolarHBondContact CA-O 3.45Å; V900-R940 HydrophobicContact CG2-CG 4.29Å |
| 901 | V | 84.7 | Confident | 73.3 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 107.7 | 166.2 | -173 | 0 | 0 | 0 | 0 | 107.2 | V867 Q868 I869 F899 A903 I915 T938 Y939 V941 L955 | V867-V901 HydrophobicContact CG1-CG1 3.51Å; Q868-V901 CarbonylContact O-C 3.49Å; Q868-V901 WeakPolarHBondContact O-CA 3.37Å; I869-V901 HydrophobicContact CG1-CG1 4.48Å; F899-V901 HydrophobicContact CD2-CG2 4.01Å; F899-V901 HydrophobicContact CE2-CG2 3.67Å; V901-A903 PolarHBondContact O-N 2.91Å; V901-I915 HydrophobicContact CB-CD1 3.75Å; V901-I915 HydrophobicContact CG1-CD1 3.55Å; V901-I915 HydrophobicContact CG2-CD1 4.29Å; V901-T938 WeakPolarHBondContact O-CA 3.38Å; V901-Y939 PolarHBondContact N-O 2.86Å; V901-Y939 PolarHBondContact O-N 2.9Å; V901-V941 HydrophobicContact CG2-CG2 4.15Å; V901-L955 HydrophobicContact CG1-CD2 4.33Å; V901-L955 HydrophobicContact CG2-CD1 4.09Å; V901-L955 HydrophobicContact CG2-CD2 3.79Å |
| 902 | D | 82.7 | Confident | 72.3 | Confident | 26 Ų | 26 | 50.7 Ų | 50.7 | 14% | 0.139 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 93.9 | 172.1 | -175.8 | 2.6 | 0 | 0 | 0 | 109.1 | Q868 R904 T938 | Q868-D902 HydrophobicContact CB-CB 4.31Å; Q868-D902 PolarHBondContact N-O 2.84Å; Q868-D902 PolarHBondContact O-N 3.48Å; D902-R904 VanDerWaalsContact CG-NE 3.33Å; D902-R904 WeakPolarHBondContact OD1-CB 3.44Å; D902-R904 WeakPolarHBondContact OD1-CG 3.38Å; D902-R904 IonicContact OD1-CZ 3.9Å; D902-R904 PolarHBondContact OD1-N 3.32Å; D902-R904 IonicContact OD1-NE 2.6Å; D902-R904 PolarHBondContact OD1-NE 2.84Å; D902-R904 IonicContact OD1-NH2 3.78Å; D902-R904 IonicContact OD2-CZ 3.09Å; D902-R904 IonicContact OD2-NE 3.88Å; D902-R904 PolarHBondContact OD2-NE 2.6Å; D902-R904 IonicContact OD2-NH2 3.36Å; D902-R904 PolarHBondContact OD2-NH2 2.7Å; D902-T938 HydrophobicContact CB-CG2 4.2Å |
| 903 | A | 79.2 | Confident | 71.6 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -96 | 14.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V867 V901 T905 V906 T907 G937 Y939 Y957 | V867-A903 HydrophobicContact CG1-CB 4.32Å; V867-A903 HydrophobicContact CG2-CB 4.4Å; V901-A903 PolarHBondContact O-N 2.91Å; A903-T905 PolarHBondContact O-N 2.99Å; A903-V906 HydrophobicContact CB-CG2 3.79Å; A903-V906 CarbonylContact O-C 3.48Å; A903-V906 WeakPolarHBondContact O-CG2 3.28Å; A903-V906 PolarHBondContact O-N 3.27Å; A903-T907 WeakPolarHBondContact CB-OG1 3.46Å; A903-T907 PolarHBondContact O-N 3.31Å; A903-T907 PolarHBondContact O-OG1 2.91Å; A903-G937 CarbonylContact C-O 3.53Å; A903-G937 PolarHBondContact N-O 2.84Å; A903-Y939 HydrophobicContact CB-CD2 4.31Å; A903-Y939 HydrophobicContact CB-CE2 4.04Å; A903-Y957 HydrophobicContact CB-CD2 3.93Å; A903-Y957 HydrophobicContact CB-CE2 3.59Å | ||
| 904 | R | 78.7 | Confident | 71.3 | Confident | 82 Ų | 82 | 49.4 Ų | 49.4 | 31% | 0.309 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.4 | -21.1 | -175 | -68.4 | 177.9 | -66.7 | -159.7 | 5.8 | 114 | D902 V906 K908 D936 G937 T938 | D902-R904 VanDerWaalsContact CG-NE 3.33Å; D902-R904 WeakPolarHBondContact OD1-CB 3.44Å; D902-R904 WeakPolarHBondContact OD1-CG 3.38Å; D902-R904 IonicContact OD1-CZ 3.9Å; D902-R904 PolarHBondContact OD1-N 3.32Å; D902-R904 IonicContact OD1-NE 2.6Å; D902-R904 PolarHBondContact OD1-NE 2.84Å; D902-R904 IonicContact OD1-NH2 3.78Å; D902-R904 IonicContact OD2-CZ 3.09Å; D902-R904 IonicContact OD2-NE 3.88Å; D902-R904 PolarHBondContact OD2-NE 2.6Å; D902-R904 IonicContact OD2-NH2 3.36Å; D902-R904 PolarHBondContact OD2-NH2 2.7Å; R904-V906 VanDerWaalsContact C-N 3.27Å; R904-K908 WeakPolarHBondContact O-CD 3.48Å; R904-K908 WeakPolarHBondContact O-CE 3.41Å; R904-K908 WeakPolarHBondContact O-CG 3.38Å; R904-D936 WeakPolarHBondContact CD-O 3.31Å; R904-D936 VanDerWaalsContact CG-O 3.3Å; R904-D936 WeakPolarHBondContact CG-O 3.16Å; R904-D936 IonicContact NH1-OD2 3.26Å; R904-D936 PolarHBondContact NH1-OD2 3.46Å; R904-G937 PolarHBondContact N-O 2.89Å; R904-T938 HydrophobicContact CG-CG2 3.85Å |
| 905 | T | 72.4 | Confident | 72.1 | Confident | 50 Ų | 50 | 43.8 Ų | 43.8 | 31% | 0.307 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.6 | -30.2 | 172.2 | 45.5 | 0 | 0 | 0 | 0 | 112.5 | D866 A903 | D866-T905 HydrophobicContact CB-CG2 3.96Å; D866-T905 PolarHBondContact O-OG1 3.49Å; A903-T905 PolarHBondContact O-N 2.99Å |
| 906 | V | 72.6 | Confident | 72.8 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -112.5 | -36.7 | -176.2 | -64.6 | 0 | 0 | 0 | 0 | 113.9 | L862 D863 L864 V867 A903 R904 K908 R909 V910 Y957 | L862-V906 HydrophobicContact CD1-CB 3.7Å; L862-V906 HydrophobicContact CD1-CG1 3.99Å; L862-V906 HydrophobicContact CD2-CB 4Å; L862-V906 HydrophobicContact CD2-CG2 4.43Å; L862-V906 HydrophobicContact CG-CB 3.89Å; L862-V906 HydrophobicContact CG-CG1 4.02Å; D863-V906 WeakPolarHBondContact O-CG1 3.48Å; L864-V906 HydrophobicContact CD2-CG1 4.32Å; L864-V906 HydrophobicContact CD2-CG2 4.16Å; V867-V906 HydrophobicContact CG2-CG1 4.18Å; V867-V906 HydrophobicContact CG2-CG2 3.56Å; A903-V906 HydrophobicContact CB-CG2 3.79Å; A903-V906 CarbonylContact O-C 3.48Å; A903-V906 WeakPolarHBondContact O-CG2 3.28Å; A903-V906 PolarHBondContact O-N 3.27Å; R904-V906 VanDerWaalsContact C-N 3.27Å; V906-K908 PolarHBondContact O-N 2.82Å; V906-R909 WeakPolarHBondContact O-CA 3.21Å; V906-R909 VanDerWaalsContact O-CB 3.31Å; V906-R909 WeakPolarHBondContact O-CB 3.22Å; V906-R909 PolarHBondContact O-N 2.91Å; V906-V910 PolarHBondContact O-N 3.21Å; V906-Y957 HydrophobicContact CG2-CE1 4.37Å; V906-Y957 HydrophobicContact CG2-CE2 4.24Å |
| 907 | T | 67.7 | Low | 73.7 | Confident | 33 Ų | 33 | 45.1 Ų | 45.1 | 20% | 0.202 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.8 | -27.7 | 178.4 | -47.3 | 0 | 0 | 0 | 0 | 112.6 | A903 R909 V910 Y957 | A903-T907 WeakPolarHBondContact CB-OG1 3.46Å; A903-T907 PolarHBondContact O-N 3.31Å; A903-T907 PolarHBondContact O-OG1 2.91Å; T907-R909 PolarHBondContact O-N 2.9Å; T907-V910 CarbonylContact O-C 3.3Å; T907-V910 PolarHBondContact O-N 2.87Å; T907-V910 VanDerWaalsContact O-O 3.09Å; T907-Y957 VanDerWaalsContact CA-OH 3.27Å; T907-Y957 WeakPolarHBondContact CA-OH 3.1Å; T907-Y957 WeakPolarHBondContact CB-OH 3.2Å; T907-Y957 PolarHBondContact OG1-OH 3.46Å |
| 908 | K | 63.5 | Low | 74.2 | Confident | 105 Ų | 105 | 47.8 Ų | 47.8 | 46% | 0.457 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -18.3 | 169.6 | -70 | 174.4 | -160.1 | 178.2 | 0 | 113.4 | R904 V906 N2170 R2218 | R904-K908 WeakPolarHBondContact O-CD 3.48Å; R904-K908 WeakPolarHBondContact O-CE 3.41Å; R904-K908 WeakPolarHBondContact O-CG 3.38Å; V906-K908 PolarHBondContact O-N 2.82Å; K908-N2170 WeakPolarHBondContact CE-OD1 3.32Å; K908-N2170 PolarHBondContact NZ-ND2 3.04Å; K908-N2170 PolarHBondContact NZ-OD1 3.25Å; K908-R2218 PolarHBondContact NZ-O 2.84Å |
| 909 | R | 60.4 | Low | 74.7 | Confident | 166 Ų | 166 | 47.3 Ų | 47.3 | 63% | 0.626 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -12 | 179 | -52.4 | -178.8 | -175.5 | 164.9 | 5.4 | 112.5 | L862 V906 T907 | L862-R909 HydrophobicContact CD1-CB 4.3Å; V906-R909 WeakPolarHBondContact O-CA 3.21Å; V906-R909 VanDerWaalsContact O-CB 3.31Å; V906-R909 WeakPolarHBondContact O-CB 3.22Å; V906-R909 PolarHBondContact O-N 2.91Å; T907-R909 PolarHBondContact O-N 2.9Å |
| 910 | V | 56.5 | Low | 74.7 | Confident | 20 Ų | 20 | 50.7 Ų | 50.7 | 12% | 0.121 | 28% | 0.282 | C | S | . | . | trans | -144.3 | 112.3 | -170.2 | -165 | 0 | 0 | 0 | 0 | 112 | Y861 L862 V906 T907 A913 | Y861-V910 HydrophobicContact CD2-CG2 4.29Å; Y861-V910 HydrophobicContact CE2-CB 4.3Å; Y861-V910 HydrophobicContact CE2-CG1 3.86Å; Y861-V910 HydrophobicContact CE2-CG2 3.41Å; Y861-V910 VanDerWaalsContact CE2-CG2 3.41Å; Y861-V910 WeakPolarHBondContact OH-CG1 3.48Å; L862-V910 HydrophobicContact CD1-CG2 3.45Å; L862-V910 VanDerWaalsContact CD1-CG2 3.45Å; L862-V910 HydrophobicContact CD2-CG2 3.87Å; L862-V910 HydrophobicContact CG-CG2 4.23Å; V906-V910 PolarHBondContact O-N 3.21Å; T907-V910 CarbonylContact O-C 3.3Å; T907-V910 PolarHBondContact O-N 2.87Å; T907-V910 VanDerWaalsContact O-O 3.09Å; V910-A913 HydrophobicContact CB-CB 4.25Å; V910-A913 HydrophobicContact CG1-CB 3.73Å | ||
| 911 | T | 57.3 | Low | 74.6 | Confident | 141 Ų | 141 | 49.8 Ų | 49.8 | 87% | 0.865 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -85.4 | 146 | 171.2 | 45.8 | 0 | 0 | 0 | 0 | 111.2 | A913 | T911-A913 PolarHBondContact O-N 2.88Š|
| 912 | G | 59.4 | Low | 74.4 | Confident | 90 Ų | 90 | 53 Ų | 53 | 93% | 0.928 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 78.9 | -10.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 913 | A | 63.2 | Low | 74.3 | Confident | 9 Ų | 9 | 55 Ų | 55 | 7% | 0.074 | 31% | 0.309 | C | S | . | . | trans | -63 | 133.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V910 T911 Y939 Y957 D958 | V910-A913 HydrophobicContact CB-CB 4.25Å; V910-A913 HydrophobicContact CG1-CB 3.73Å; T911-A913 PolarHBondContact O-N 2.88Å; A913-Y939 PolarHBondContact O-OH 2.78Å; A913-Y939 VanDerWaalsContact O-OH 3.08Å; A913-Y957 HydrophobicContact CB-CD1 4.3Å; A913-Y957 HydrophobicContact CB-CE1 3.44Å; A913-Y957 VanDerWaalsContact CB-CE1 3.44Å; A913-D958 HydrophobicContact CB-CB 3.84Å | ||
| 914 | G | 70.1 | Confident | 74.1 | Confident | 39 Ų | 39 | 65.7 Ų | 65.7 | 40% | 0.402 | 35% | 0.35 | S | S | . | . | trans | -114.6 | 152.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D958 | G914-D958 PolarHBondContact O-N 2.82Š| ||
| 915 | I | 83 | Confident | 74 | Confident | 13 Ų | 13 | 70 Ų | 70 | 7% | 0.067 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 137.8 | 168.1 | -75.4 | -166.6 | 0 | 0 | 0 | 110.6 | V901 I931 Y939 L955 S956 Y957 | V901-I915 HydrophobicContact CB-CD1 3.75Å; V901-I915 HydrophobicContact CG1-CD1 3.55Å; V901-I915 HydrophobicContact CG2-CD1 4.29Å; I915-I931 HydrophobicContact CG2-CD1 4.4Å; I915-I931 HydrophobicContact CG2-CG2 4.45Å; I915-I931 WeakPolarHBondContact O-CD1 3.34Å; I915-Y939 HydrophobicContact CB-CD1 4.07Å; I915-Y939 HydrophobicContact CB-CE1 4.44Å; I915-Y939 HydrophobicContact CB-CG 4.14Å; I915-Y939 HydrophobicContact CD1-CD1 4.44Å; I915-Y939 HydrophobicContact CD1-CD2 3.45Å; I915-Y939 VanDerWaalsContact CD1-CD2 3.45Å; I915-Y939 HydrophobicContact CD1-CE2 4.02Å; I915-Y939 HydrophobicContact CD1-CG 3.71Å; I915-Y939 HydrophobicContact CG1-CD1 4.22Å; I915-Y939 HydrophobicContact CG1-CD2 3.9Å; I915-Y939 HydrophobicContact CG1-CE1 4.38Å; I915-Y939 HydrophobicContact CG1-CE2 4.1Å; I915-Y939 HydrophobicContact CG1-CG 3.98Å; I915-L955 HydrophobicContact CG2-CD1 3.68Å; I915-S956 WeakPolarHBondContact CA-O 3.19Å; I915-Y957 HydrophobicContact CD1-CD2 3.92Å; I915-Y957 HydrophobicContact CG1-CD2 3.52Å; I915-Y957 HydrophobicContact CG1-CE2 4.27Å; I915-Y957 HydrophobicContact CG1-CG 4.31Å |
| 916 | E | 83.8 | Confident | 74.4 | Confident | 95 Ų | 95 | 72 Ų | 72 | 44% | 0.444 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 146.4 | 162.8 | -70.1 | -141.9 | 113.4 | 0 | 0 | 111.3 | K928 S956 | E916-K928 IonicContact OE1-NZ 3.64Å; E916-K928 PolarHBondContact OE1-NZ 3.2Å; E916-K928 IonicContact OE2-NZ 2.74Å; E916-S956 PolarHBondContact N-O 2.95Å; E916-S956 PolarHBondContact O-N 2.81Å |
| 917 | C | 90.3 | Very high | 74.7 | Confident | 2 Ų | 2 | 74.1 Ų | 74.1 | 1% | 0.014 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 126.5 | 178 | -172.4 | 0 | 0 | 0 | 0 | 111 | C929 I931 V941 L954 L955 | C917-C929 HydrophobicContact CB-CB 4.07Å; C917-C929 PolarHBondContact O-N 2.85Å; C917-C929 VanDerWaalsContact SG-SG 3.61Å; C917-I931 HydrophobicContact CB-CD1 3.93Å; C917-I931 HydrophobicContact CB-CG1 4.44Å; C917-V941 HydrophobicContact CB-CG1 3.97Å; C917-L954 CarbonylContact C-O 3.51Å; C917-L954 VanDerWaalsContact CA-O 3.26Å; C917-L954 WeakPolarHBondContact CA-O 3.34Å; C917-L955 HydrophobicContact CB-CD1 3.98Å |
| 918 | L | 87.5 | Confident | 75.5 | Confident | 59 Ų | 59 | 79.2 Ų | 79.2 | 31% | 0.309 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 122.2 | 179.7 | -68.6 | 165.5 | 0 | 0 | 0 | 110.2 | V926 A927 K928 L953 L954 | L918-V926 HydrophobicContact CB-CG1 4.3Å; L918-V926 HydrophobicContact CD2-CG1 4.06Å; L918-A927 CarbonylContact C-O 3.5Å; L918-A927 WeakPolarHBondContact CA-O 3.49Å; L918-K928 HydrophobicContact CD2-CG 3.6Å; L918-L953 WeakPolarHBondContact O-CA 3.31Å; L918-L954 HydrophobicContact CB-CB 4.35Å; L918-L954 PolarHBondContact N-O 3.28Å; L918-L954 PolarHBondContact O-N 3.13Å |
| 919 | M | 90 | Very high | 76.6 | Confident | 21 Ų | 21 | 74.9 Ų | 74.9 | 10% | 0.103 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 129.4 | 172.1 | -179.8 | 170.3 | 72 | 0 | 0 | 110.6 | V926 A927 F943 H951 E952 L953 | M919-V926 CarbonylContact O-C 3.59Å; M919-V926 WeakPolarHBondContact O-CA 3.39Å; M919-A927 PolarHBondContact N-O 2.95Å; M919-A927 PolarHBondContact O-N 2.94Å; M919-F943 HydrophobicContact SD-CB 4.16Å; M919-F943 HydrophobicContact SD-CD2 3.85Å; M919-F943 HydrophobicContact SD-CG 4.39Å; M919-H951 HydrophobicContact CG-CB 4.31Å; M919-H951 HydrophobicContact SD-CB 4.44Å; M919-E952 CarbonylContact C-O 3.49Å; M919-E952 WeakPolarHBondContact CA-O 3.11Å; M919-L953 HydrophobicContact CB-CD2 3.64Å; M919-L953 HydrophobicContact CG-CD2 3.68Å; M919-L953 HydrophobicContact SD-CD2 4.21Å |
| 920 | K | 82.7 | Confident | 77.5 | Confident | 73 Ų | 73 | 73.3 Ų | 73.3 | 32% | 0.317 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 129.7 | 161 | -70.4 | 158.4 | 176.9 | -180 | 0 | 109.9 | R925 V926 H951 E952 L954 | K920-R925 VanDerWaalsContact CA-O 3.3Å; K920-R925 WeakPolarHBondContact CA-O 3.37Å; K920-V926 HydrophobicContact CG-CG2 4Å; K920-H951 CarbonylContact O-C 3.49Å; K920-H951 WeakPolarHBondContact O-CA 3.47Å; K920-H951 WeakPolarHBondContact O-CB 3.33Å; K920-E952 HydrophobicContact CB-CB 4.18Å; K920-E952 HydrophobicContact CD-CB 4.24Å; K920-E952 HydrophobicContact CD-CG 4.46Å; K920-E952 WeakPolarHBondContact CD-OE2 3.25Å; K920-E952 PolarHBondContact N-O 2.82Å; K920-E952 IonicContact NZ-OE2 3.94Å; K920-E952 PolarHBondContact NZ-OE2 3.42Å; K920-E952 PolarHBondContact O-N 2.89Å; K920-L954 HydrophobicContact CD-CD1 4.5Å |
| 921 | S | 81.4 | Confident | 78.9 | Confident | 21 Ų | 21 | 74.9 Ų | 74.9 | 15% | 0.147 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -87.7 | 161.1 | 170.4 | 42.9 | 0 | 0 | 0 | 0 | 111.8 | D923 R924 R925 H951 | S921-D923 WeakPolarHBondContact CB-OD1 3.47Å; S921-D923 PolarHBondContact O-N 2.82Å; S921-D923 PolarHBondContact OG-OD1 3.45Å; S921-R924 WeakPolarHBondContact O-CA 3.33Å; S921-R924 PolarHBondContact O-N 2.84Å; S921-R925 PolarHBondContact N-O 2.72Å; S921-R925 WeakPolarHBondContact OG-CB 3.32Å; S921-R925 PolarHBondContact OG-O 3.16Å; S921-H951 VanDerWaalsContact CA-CD2 3.43Å; S921-H951 WeakPolarHBondContact CA-CD2 3.44Å; S921-H951 WeakPolarHBondContact CB-NE2 3.27Å |
| 922 | P | 79.6 | Confident | 79.8 | Confident | 67 Ų | 67 | 69.7 Ų | 69.7 | 44% | 0.435 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -18.6 | -176.4 | 22.8 | -31 | 0 | 0 | 0 | 113.7 | R924 K950 H951 | P922-R924 PolarHBondContact O-N 3.03Å; P922-K950 WeakPolarHBondContact CB-O 3.32Å; P922-K950 VanDerWaalsContact CD-O 3.28Å; P922-K950 WeakPolarHBondContact CD-O 3.43Å; P922-H951 VanDerWaalsContact CD-CE1 3.48Å; P922-H951 WeakPolarHBondContact CD-CE1 3.38Å |
| 923 | D | 80.4 | Confident | 80.7 | Confident | 68 Ų | 68 | 69.1 Ų | 69.1 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 3.8 | 168.6 | 71.8 | -7.1 | 0 | 0 | 0 | 114.1 | S921 R925 | S921-D923 WeakPolarHBondContact CB-OD1 3.47Å; S921-D923 PolarHBondContact O-N 2.82Å; S921-D923 PolarHBondContact OG-OD1 3.45Å; D923-R925 VanDerWaalsContact C-N 3.34Å; D923-R925 WeakPolarHBondContact OD1-CB 3.46Å; D923-R925 WeakPolarHBondContact OD1-CG 3.38Å; D923-R925 PolarHBondContact OD1-N 2.82Å; D923-R925 WeakPolarHBondContact OD2-CD 3.38Å; D923-R925 IonicContact OD2-CZ 3.28Å; D923-R925 VanDerWaalsContact OD2-CZ 3.28Å; D923-R925 IonicContact OD2-NE 3.39Å; D923-R925 PolarHBondContact OD2-NE 2.66Å; D923-R925 IonicContact OD2-NH1 2.67Å; D923-R925 PolarHBondContact OD2-NH1 2.7Å |
| 924 | R | 74.8 | Confident | 81.5 | Confident | 224 Ų | 224 | 72.9 Ų | 72.9 | 85% | 0.845 | 37% | 0.367 | S | S | * | . | trans | 71 | 9.8 | -177.4 | -50.4 | -179.4 | 177.1 | -170.5 | -1.5 | 116.2 | S921 P922 | S921-R924 WeakPolarHBondContact O-CA 3.33Å; S921-R924 PolarHBondContact O-N 2.84Å; P922-R924 PolarHBondContact O-N 3.03Å | ||
| 925 | R | 76.8 | Confident | 81.6 | Confident | 174 Ų | 174 | 81.6 Ų | 81.6 | 66% | 0.657 | 39% | 0.388 | S | S | * | . | trans | -69.2 | 143.5 | 170.9 | -62.6 | 174.9 | 174.8 | 138 | -13.9 | 110.7 | K920 S921 D923 | K920-R925 VanDerWaalsContact CA-O 3.3Å; K920-R925 WeakPolarHBondContact CA-O 3.37Å; S921-R925 PolarHBondContact N-O 2.72Å; S921-R925 WeakPolarHBondContact OG-CB 3.32Å; S921-R925 PolarHBondContact OG-O 3.16Å; D923-R925 VanDerWaalsContact C-N 3.34Å; D923-R925 WeakPolarHBondContact OD1-CB 3.46Å; D923-R925 WeakPolarHBondContact OD1-CG 3.38Å; D923-R925 PolarHBondContact OD1-N 2.82Å; D923-R925 WeakPolarHBondContact OD2-CD 3.38Å; D923-R925 IonicContact OD2-CZ 3.28Å; D923-R925 VanDerWaalsContact OD2-CZ 3.28Å; D923-R925 IonicContact OD2-NE 3.39Å; D923-R925 PolarHBondContact OD2-NE 2.66Å; D923-R925 IonicContact OD2-NH1 2.67Å; D923-R925 PolarHBondContact OD2-NH1 2.7Å | ||
| 926 | V | 81.6 | Confident | 81.2 | Confident | 90 Ų | 90 | 84.4 Ų | 84.4 | 55% | 0.545 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 132.1 | 174 | -172.2 | 0 | 0 | 0 | 0 | 108.9 | L918 M919 K920 | L918-V926 HydrophobicContact CB-CG1 4.3Å; L918-V926 HydrophobicContact CD2-CG1 4.06Å; M919-V926 CarbonylContact O-C 3.59Å; M919-V926 WeakPolarHBondContact O-CA 3.39Å; K920-V926 HydrophobicContact CG-CG2 4Å |
| 927 | A | 79.2 | Confident | 80.7 | Confident | 47 Ų | 47 | 80.2 Ų | 80.2 | 39% | 0.388 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 147.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L918 M919 | L918-A927 CarbonylContact C-O 3.5Å; L918-A927 WeakPolarHBondContact CA-O 3.49Å; M919-A927 PolarHBondContact N-O 2.95Å; M919-A927 PolarHBondContact O-N 2.94Å |
| 928 | K | 84.2 | Confident | 80.3 | Confident | 140 Ų | 140 | 80.8 Ų | 80.8 | 61% | 0.609 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 132.7 | 163.4 | -76.5 | -166.2 | 174.5 | -160.6 | 0 | 108.7 | E916 L918 | E916-K928 IonicContact OE1-NZ 3.64Å; E916-K928 PolarHBondContact OE1-NZ 3.2Å; E916-K928 IonicContact OE2-NZ 2.74Å; L918-K928 HydrophobicContact CD2-CG 3.6Å |
| 929 | C | 86.9 | Confident | 80 | Confident | 13 Ų | 13 | 78.6 Ų | 78.6 | 9% | 0.088 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 154.5 | 168.3 | -61 | 0 | 0 | 0 | 0 | 109.5 | C917 V941 | C917-C929 HydrophobicContact CB-CB 4.07Å; C917-C929 PolarHBondContact O-N 2.85Å; C917-C929 VanDerWaalsContact SG-SG 3.61Å; C929-V941 HydrophobicContact CB-CG1 3.57Å |
| 930 | H | 79.7 | Confident | 79.6 | Confident | 133 Ų | 133 | 80 Ų | 80 | 62% | 0.616 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 126.2 | 169.6 | -178.1 | 78.4 | 0 | 0 | 0 | 108.8 | V941 A942 | H930-V941 CarbonylContact O-C 3.56Å; H930-V941 WeakPolarHBondContact O-CA 3.35Å; H930-A942 HydrophobicContact CB-CB 4.41Å; H930-A942 PolarHBondContact N-O 2.81Å; H930-A942 PolarHBondContact O-N 3.09Å |
| 931 | I | 84.4 | Confident | 79.8 | Confident | 53 Ų | 53 | 76.5 Ų | 76.5 | 27% | 0.272 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 110.3 | -174.1 | -58.2 | 165.9 | 0 | 0 | 0 | 108 | I915 C917 V941 | I915-I931 HydrophobicContact CG2-CD1 4.4Å; I915-I931 HydrophobicContact CG2-CG2 4.45Å; I915-I931 WeakPolarHBondContact O-CD1 3.34Å; C917-I931 HydrophobicContact CB-CD1 3.93Å; C917-I931 HydrophobicContact CB-CG1 4.44Å; I931-V941 HydrophobicContact CG1-CG1 4.33Å; I931-V941 HydrophobicContact CG1-CG2 4.38Å |
| 932 | A | 76.4 | Confident | 79.8 | Confident | 33 Ų | 33 | 76.4 Ų | 76.4 | 27% | 0.273 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 101.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q934 R940 | A932-Q934 PolarHBondContact O-N 2.87Å; A932-Q934 PolarHBondContact O-NE2 2.96Å; A932-R940 HydrophobicContact CB-CB 4.49Å; A932-R940 PolarHBondContact N-O 3Å; A932-R940 PolarHBondContact O-N 2.81Å |
| 933 | D | 79.5 | Confident | 80 | Confident | 77 Ų | 77 | 73.6 Ų | 73.6 | 41% | 0.412 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 120.9 | 164.3 | 167.2 | 30.2 | 0 | 0 | 0 | 109.6 | R935 Y939 | D933-R935 VanDerWaalsContact C-N 3.27Å; D933-R935 WeakPolarHBondContact OD1-CA 3.5Å; D933-R935 PolarHBondContact OD1-N 3.27Å; D933-R935 VanDerWaalsContact OD2-CG 3.28Å; D933-R935 WeakPolarHBondContact OD2-CG 3.46Å; D933-Y939 HydrophobicContact CB-CD1 4.06Å; D933-Y939 HydrophobicContact CB-CE1 4.19Å |
| 934 | Q | 80.2 | Confident | 80 | Confident | 88 Ų | 88 | 72.7 Ų | 72.7 | 41% | 0.411 | 35% | 0.346 | S | S | . | . | trans | -84.1 | -3.8 | 179.4 | -55.1 | -59.9 | -81.7 | 0 | 0 | 112.4 | A932 D936 T938 R940 | A932-Q934 PolarHBondContact O-N 2.87Å; A932-Q934 PolarHBondContact O-NE2 2.96Å; Q934-D936 PolarHBondContact O-N 2.89Å; Q934-D936 VanDerWaalsContact O-N 3.08Å; Q934-T938 WeakPolarHBondContact CB-O 3.15Å; Q934-T938 PolarHBondContact N-O 2.9Å; Q934-R940 HydrophobicContact CG-CB 4.13Å | ||
| 935 | R | 72 | Confident | 80.3 | Confident | 223 Ų | 223 | 62 Ų | 62 | 84% | 0.842 | 31% | 0.306 | S | S | * | . | S | Bend | trans | 60.1 | 10.7 | -179.1 | -59.3 | 179.8 | 179.1 | -173.7 | 1 | 115.3 | D933 | D933-R935 VanDerWaalsContact C-N 3.27Å; D933-R935 WeakPolarHBondContact OD1-CA 3.5Å; D933-R935 PolarHBondContact OD1-N 3.27Å; D933-R935 VanDerWaalsContact OD2-CG 3.28Å; D933-R935 WeakPolarHBondContact OD2-CG 3.46Å |
| 936 | D | 74 | Confident | 80.3 | Confident | 71 Ų | 71 | 58.6 Ų | 58.6 | 38% | 0.38 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -103.1 | 3.4 | 170.7 | 88.1 | -39.2 | 0 | 0 | 0 | 113 | R904 Q934 T938 | R904-D936 WeakPolarHBondContact CD-O 3.31Å; R904-D936 VanDerWaalsContact CG-O 3.3Å; R904-D936 WeakPolarHBondContact CG-O 3.16Å; R904-D936 IonicContact NH1-OD2 3.26Å; R904-D936 PolarHBondContact NH1-OD2 3.46Å; Q934-D936 PolarHBondContact O-N 2.89Å; Q934-D936 VanDerWaalsContact O-N 3.08Å; D936-T938 VanDerWaalsContact OD1-CB 3.29Å; D936-T938 WeakPolarHBondContact OD1-CB 3.28Å; D936-T938 WeakPolarHBondContact OD1-CG2 3.21Å; D936-T938 PolarHBondContact OD1-N 2.8Å; D936-T938 PolarHBondContact OD1-OG1 2.81Å |
| 937 | G | 73.6 | Confident | 80 | Confident | 8 Ų | 8 | 57 Ų | 57 | 8% | 0.082 | 30% | 0.295 | C | S | . | . | S | Bend | trans | 91.9 | 1.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A903 R904 | A903-G937 CarbonylContact C-O 3.53Å; A903-G937 PolarHBondContact N-O 2.84Å; R904-G937 PolarHBondContact N-O 2.89Å |
| 938 | T | 81.2 | Confident | 79.7 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 8% | 0.08 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 150.5 | 165.9 | 73.7 | 0 | 0 | 0 | 0 | 112 | V900 V901 D902 R904 Q934 D936 | V900-T938 HydrophobicContact CG1-CG2 4.24Å; V901-T938 WeakPolarHBondContact O-CA 3.38Å; D902-T938 HydrophobicContact CB-CG2 4.2Å; R904-T938 HydrophobicContact CG-CG2 3.85Å; Q934-T938 WeakPolarHBondContact CB-O 3.15Å; Q934-T938 PolarHBondContact N-O 2.9Å; D936-T938 VanDerWaalsContact OD1-CB 3.29Å; D936-T938 WeakPolarHBondContact OD1-CB 3.28Å; D936-T938 WeakPolarHBondContact OD1-CG2 3.21Å; D936-T938 PolarHBondContact OD1-N 2.8Å; D936-T938 PolarHBondContact OD1-OG1 2.81Å |
| 939 | Y | 81.7 | Confident | 79.5 | Confident | 14 Ų | 14 | 56 Ų | 56 | 6% | 0.055 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 121.2 | -179.3 | -57.4 | -102.2 | 0 | 0 | 0 | 109.1 | V900 V901 A903 A913 I915 D933 Y957 | V900-Y939 WeakPolarHBondContact CA-O 3.45Å; V901-Y939 PolarHBondContact N-O 2.86Å; V901-Y939 PolarHBondContact O-N 2.9Å; A903-Y939 HydrophobicContact CB-CD2 4.31Å; A903-Y939 HydrophobicContact CB-CE2 4.04Å; A913-Y939 PolarHBondContact O-OH 2.78Å; A913-Y939 VanDerWaalsContact O-OH 3.08Å; I915-Y939 HydrophobicContact CB-CD1 4.07Å; I915-Y939 HydrophobicContact CB-CE1 4.44Å; I915-Y939 HydrophobicContact CB-CG 4.14Å; I915-Y939 HydrophobicContact CD1-CD1 4.44Å; I915-Y939 HydrophobicContact CD1-CD2 3.45Å; I915-Y939 VanDerWaalsContact CD1-CD2 3.45Å; I915-Y939 HydrophobicContact CD1-CE2 4.02Å; I915-Y939 HydrophobicContact CD1-CG 3.71Å; I915-Y939 HydrophobicContact CG1-CD1 4.22Å; I915-Y939 HydrophobicContact CG1-CD2 3.9Å; I915-Y939 HydrophobicContact CG1-CE1 4.38Å; I915-Y939 HydrophobicContact CG1-CE2 4.1Å; I915-Y939 HydrophobicContact CG1-CG 3.98Å; D933-Y939 HydrophobicContact CB-CD1 4.06Å; D933-Y939 HydrophobicContact CB-CE1 4.19Å; Y939-Y957 AromaticContact CE2-CE2 3.92Å; Y939-Y957 HydrophobicContact CE2-CE2 3.92Å |
| 940 | R | 81.9 | Confident | 79.3 | Confident | 50 Ų | 50 | 60.3 Ų | 60.3 | 19% | 0.189 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 111.2 | 178.5 | -165.5 | 179.9 | -171.8 | -158.4 | 10.5 | 108.3 | E898 V900 A932 Q934 D1001 R1003 | E898-R940 VanDerWaalsContact CD-NE 3.3Å; E898-R940 IonicContact OE1-CZ 2.7Å; E898-R940 IonicContact OE1-NE 3.17Å; E898-R940 PolarHBondContact OE1-NE 3.35Å; E898-R940 VanDerWaalsContact OE1-NE 3.09Å; E898-R940 IonicContact OE1-NH2 3.37Å; E898-R940 PolarHBondContact OE1-NH2 3.11Å; E898-R940 IonicContact OE2-CZ 2.66Å; E898-R940 IonicContact OE2-NE 3.74Å; E898-R940 PolarHBondContact OE2-NE 2.74Å; E898-R940 VanDerWaalsContact OE2-NE 3.08Å; E898-R940 IonicContact OE2-NH2 2.69Å; E898-R940 PolarHBondContact OE2-NH2 2.84Å; V900-R940 HydrophobicContact CG2-CG 4.29Å; A932-R940 HydrophobicContact CB-CB 4.49Å; A932-R940 PolarHBondContact N-O 3Å; A932-R940 PolarHBondContact O-N 2.81Å; Q934-R940 HydrophobicContact CG-CB 4.13Å; R940-D1001 IonicContact CZ-OD2 3.17Å; R940-D1001 IonicContact NH1-OD2 2.89Å; R940-D1001 IonicContact NH2-OD2 3.6Å; R940-D1001 PolarHBondContact NH2-OD2 3.38Å; R940-R1003 VanDerWaalsContact NH1-NH2 3.19Å |
| 941 | V | 85.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 115 | -179.4 | -174.6 | 0 | 0 | 0 | 0 | 108.4 | E898 F899 V901 C917 C929 H930 I931 | E898-V941 CarbonylContact C-O 3.51Å; E898-V941 VanDerWaalsContact CA-O 3.28Å; E898-V941 WeakPolarHBondContact CA-O 3.49Å; F899-V941 HydrophobicContact CD1-CB 4Å; F899-V941 HydrophobicContact CD1-CG1 4.3Å; F899-V941 HydrophobicContact CD2-CB 4.27Å; F899-V941 HydrophobicContact CE1-CB 3.64Å; F899-V941 HydrophobicContact CE1-CG1 3.52Å; F899-V941 HydrophobicContact CE2-CB 3.95Å; F899-V941 HydrophobicContact CE2-CG1 4.38Å; F899-V941 HydrophobicContact CE2-CG2 4.03Å; F899-V941 HydrophobicContact CG-CB 4.32Å; F899-V941 HydrophobicContact CZ-CB 3.64Å; F899-V941 HydrophobicContact CZ-CG1 3.59Å; F899-V941 HydrophobicContact CZ-CG2 4.06Å; F899-V941 PolarHBondContact N-O 2.97Å; F899-V941 PolarHBondContact O-N 2.83Å; V901-V941 HydrophobicContact CG2-CG2 4.15Å; C917-V941 HydrophobicContact CB-CG1 3.97Å; C929-V941 HydrophobicContact CB-CG1 3.57Å; H930-V941 CarbonylContact O-C 3.56Å; H930-V941 WeakPolarHBondContact O-CA 3.35Å; I931-V941 HydrophobicContact CG1-CG1 4.33Å; I931-V941 HydrophobicContact CG1-CG2 4.38Å |
| 942 | A | 82 | Confident | 79.8 | Confident | 18 Ų | 18 | 54.9 Ų | 54.9 | 15% | 0.149 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 140.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V896 N897 H930 | V896-A942 HydrophobicContact CG1-CB 4.16Å; N897-A942 WeakPolarHBondContact O-CA 3.24Å; H930-A942 HydrophobicContact CB-CB 4.41Å; H930-A942 PolarHBondContact N-O 2.81Å; H930-A942 PolarHBondContact O-N 3.09Å |
| 943 | F | 83.1 | Confident | 80.3 | Confident | 8 Ų | 8 | 53.3 Ų | 53.3 | 4% | 0.035 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 147.1 | -179.6 | 67.3 | -76.6 | 0 | 0 | 0 | 110.3 | L872 V891 N897 F899 M919 P945 V969 | L872-F943 HydrophobicContact CD2-CE1 4.36Å; L872-F943 HydrophobicContact CD2-CZ 4.27Å; V891-F943 HydrophobicContact CG1-CE2 4.38Å; V891-F943 HydrophobicContact CG1-CZ 3.98Å; V891-F943 HydrophobicContact CG2-CE2 4.37Å; N897-F943 HydrophobicContact CB-CE1 4.07Å; N897-F943 HydrophobicContact CB-CE2 4.21Å; N897-F943 HydrophobicContact CB-CZ 3.9Å; N897-F943 PolarHBondContact N-O 3.2Å; N897-F943 WeakPolarHBondContact O-CD1 3.49Å; N897-F943 PolarHBondContact O-N 2.63Å; F899-F943 HydrophobicContact CD1-CD1 4.22Å; F899-F943 AromaticContact CD1-CE1 3.89Å; F899-F943 HydrophobicContact CD1-CE1 3.89Å; F899-F943 HydrophobicContact CE1-CD1 4.25Å; F899-F943 HydrophobicContact CE1-CE1 4.21Å; M919-F943 HydrophobicContact SD-CB 4.16Å; M919-F943 HydrophobicContact SD-CD2 3.85Å; M919-F943 HydrophobicContact SD-CG 4.39Å; F943-P945 HydrophobicContact CD2-CG 3.91Å; F943-P945 HydrophobicContact CE2-CG 3.84Å; F943-V969 HydrophobicContact CE2-CB 4.45Å; F943-V969 HydrophobicContact CE2-CG2 3.75Å; F943-V969 HydrophobicContact CZ-CB 4.46Å; F943-V969 HydrophobicContact CZ-CG1 4.19Å; F943-V969 HydrophobicContact CZ-CG2 4.15Å |
| 944 | S | 80.6 | Confident | 80.6 | Confident | 49 Ų | 49 | 52.9 Ų | 52.9 | 34% | 0.343 | 27% | 0.266 | S | S | . | . | trans | -123.5 | 104.9 | 178.4 | -56.4 | 0 | 0 | 0 | 0 | 109 | T946 | S944-T946 PolarHBondContact O-N 2.57Š| ||
| 945 | P | 80.4 | Confident | 80.9 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -67.4 | 116.1 | 172.7 | -17.8 | 31.8 | 0 | 0 | 0 | 110.2 | V891 V893 D894 F943 A971 | V891-P945 HydrophobicContact CG2-CG 3.9Å; V893-P945 WeakPolarHBondContact CA-O 3.25Å; D894-P945 PolarHBondContact N-O 3.17Å; D894-P945 VanDerWaalsContact N-O 3.11Å; F943-P945 HydrophobicContact CD2-CG 3.91Å; F943-P945 HydrophobicContact CE2-CG 3.84Å; P945-A971 HydrophobicContact CB-CB 3.55Å; P945-A971 HydrophobicContact CG-CB 4.13Å | ||
| 946 | T | 77 | Confident | 81.4 | Confident | 102 Ų | 102 | 40 Ų | 40 | 63% | 0.626 | 22% | 0.219 | S | C | * | . | trans | -95.7 | 3.5 | 178.8 | 51.4 | 0 | 0 | 0 | 0 | 113.2 | S944 | S944-T946 PolarHBondContact O-N 2.57Š| ||
| 947 | V | 75.2 | Confident | 81.7 | Confident | 56 Ų | 56 | 36.6 Ų | 36.6 | 34% | 0.339 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -140.6 | 143.6 | 179.8 | -166.9 | 0 | 0 | 0 | 0 | 108.3 | H951 | V947-H951 PolarHBondContact O-CE1 2.81Š|
| 948 | E | 73.3 | Confident | 81.9 | Confident | 145 Ų | 145 | 38.7 Ų | 38.7 | 68% | 0.678 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -64.5 | 149.9 | 174.1 | -157.2 | -177.2 | 169.6 | 0 | 0 | 111.6 | A971 | E948-A971 VanDerWaalsContact CG-O 3.26Å; E948-A971 WeakPolarHBondContact CG-O 3.31Å |
| 949 | G | 81.6 | Confident | 81.3 | Confident | 23 Ų | 23 | 41.4 Ų | 41.4 | 24% | 0.237 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 100.1 | -165.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | H951 A971 | G949-H951 PolarHBondContact O-ND1 3.38Å; G949-A971 PolarHBondContact O-N 3.01Å |
| 950 | K | 82 | Confident | 81.2 | Confident | 102 Ų | 102 | 43 Ų | 43 | 44% | 0.443 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 127.5 | -161 | -61.2 | -165.2 | -174.4 | -135.3 | 0 | 114 | S888 P922 V969 E970 | S888-K950 PolarHBondContact OG-NZ 2.83Å; P922-K950 WeakPolarHBondContact CB-O 3.32Å; P922-K950 VanDerWaalsContact CD-O 3.28Å; P922-K950 WeakPolarHBondContact CD-O 3.43Å; K950-V969 CarbonylContact C-O 3.59Å; K950-V969 VanDerWaalsContact CA-O 3.31Å; K950-V969 WeakPolarHBondContact CA-O 3.36Å; K950-E970 WeakPolarHBondContact CE-OE2 3.3Å; K950-E970 HydrophobicContact CG-CB 4.46Å; K950-E970 HydrophobicContact CG-CG 4.27Å; K950-E970 IonicContact NZ-OE2 2.69Å; K950-E970 PolarHBondContact NZ-OE2 2.81Å; K950-E970 VanDerWaalsContact NZ-OE2 3.16Å |
| 951 | H | 86.1 | Confident | 80.9 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 144.7 | 178.2 | -64.2 | 61.4 | 0 | 0 | 0 | 110.7 | M919 K920 S921 P922 V947 G949 L968 V969 | M919-H951 HydrophobicContact CG-CB 4.31Å; M919-H951 HydrophobicContact SD-CB 4.44Å; K920-H951 CarbonylContact O-C 3.49Å; K920-H951 WeakPolarHBondContact O-CA 3.47Å; K920-H951 WeakPolarHBondContact O-CB 3.33Å; S921-H951 VanDerWaalsContact CA-CD2 3.43Å; S921-H951 WeakPolarHBondContact CA-CD2 3.44Å; S921-H951 WeakPolarHBondContact CB-NE2 3.27Å; P922-H951 VanDerWaalsContact CD-CE1 3.48Å; P922-H951 WeakPolarHBondContact CD-CE1 3.38Å; V947-H951 PolarHBondContact O-CE1 2.81Å; G949-H951 PolarHBondContact O-ND1 3.38Å; H951-L968 WeakPolarHBondContact O-CA 3.47Å; H951-V969 HydrophobicContact CB-CG2 3.81Å; H951-V969 PolarHBondContact N-O 2.79Å; H951-V969 PolarHBondContact O-N 3.14Å; H951-V969 VanDerWaalsContact O-N 3.12Å |
| 952 | E | 87.6 | Confident | 80.4 | Confident | 72 Ų | 72 | 46 Ų | 46 | 34% | 0.336 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 140.5 | 172.5 | -50 | -176.6 | 157.9 | 0 | 0 | 110.3 | M919 K920 P966 L967 L968 | M919-E952 CarbonylContact C-O 3.49Å; M919-E952 WeakPolarHBondContact CA-O 3.11Å; K920-E952 HydrophobicContact CB-CB 4.18Å; K920-E952 HydrophobicContact CD-CB 4.24Å; K920-E952 HydrophobicContact CD-CG 4.46Å; K920-E952 WeakPolarHBondContact CD-OE2 3.25Å; K920-E952 PolarHBondContact N-O 2.82Å; K920-E952 IonicContact NZ-OE2 3.94Å; K920-E952 PolarHBondContact NZ-OE2 3.42Å; K920-E952 PolarHBondContact O-N 2.89Å; E952-P966 HydrophobicContact CB-CB 4.06Å; E952-P966 HydrophobicContact CB-CG 4.48Å; E952-L967 CarbonylContact C-O 3.58Å; E952-L967 WeakPolarHBondContact CA-O 3.38Å; E952-L968 HydrophobicContact CG-CD2 4.2Å |
| 953 | L | 87.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 120.8 | 171.8 | -49.5 | 173.8 | 0 | 0 | 0 | 110.4 | L872 F899 L918 M919 P966 L967 V969 | L872-L953 HydrophobicContact CD1-CD1 4.05Å; F899-L953 HydrophobicContact CE1-CD1 3.71Å; F899-L953 HydrophobicContact CZ-CD1 4.11Å; L918-L953 WeakPolarHBondContact O-CA 3.31Å; M919-L953 HydrophobicContact CB-CD2 3.64Å; M919-L953 HydrophobicContact CG-CD2 3.68Å; M919-L953 HydrophobicContact SD-CD2 4.21Å; L953-P966 CarbonylContact O-C 3.51Å; L953-P966 WeakPolarHBondContact O-CA 3.17Å; L953-P966 WeakPolarHBondContact O-CB 3.5Å; L953-L967 HydrophobicContact CB-CB 4.14Å; L953-L967 HydrophobicContact CD1-CB 4.47Å; L953-L967 PolarHBondContact N-O 2.81Å; L953-L967 PolarHBondContact O-N 2.7Å; L953-V969 HydrophobicContact CD1-CG1 4.2Å |
| 954 | L | 87 | Confident | 78.9 | Confident | 67 Ų | 67 | 57.2 Ų | 57.2 | 35% | 0.351 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 123.9 | 176.6 | -66.9 | 163.3 | 0 | 0 | 0 | 109.4 | C917 L918 K920 P966 | C917-L954 CarbonylContact C-O 3.51Å; C917-L954 VanDerWaalsContact CA-O 3.26Å; C917-L954 WeakPolarHBondContact CA-O 3.34Å; L918-L954 HydrophobicContact CB-CB 4.35Å; L918-L954 PolarHBondContact N-O 3.28Å; L918-L954 PolarHBondContact O-N 3.13Å; K920-L954 HydrophobicContact CD-CD1 4.5Å; L954-P966 HydrophobicContact CD2-CB 3.9Å; L954-P966 HydrophobicContact CD2-CG 4.41Å; L954-P966 HydrophobicContact CG-CB 4.38Å |
| 955 | L | 86.6 | Confident | 78.4 | Confident | 10 Ų | 10 | 56.6 Ų | 56.6 | 5% | 0.052 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 129 | -169.8 | -176.6 | 70.9 | 0 | 0 | 0 | 112.4 | I869 V901 I915 C917 V962 | I869-L955 HydrophobicContact CD1-CD2 3.67Å; I869-L955 HydrophobicContact CG1-CD2 4.3Å; V901-L955 HydrophobicContact CG1-CD2 4.33Å; V901-L955 HydrophobicContact CG2-CD1 4.09Å; V901-L955 HydrophobicContact CG2-CD2 3.79Å; I915-L955 HydrophobicContact CG2-CD1 3.68Å; C917-L955 HydrophobicContact CB-CD1 3.98Å; L955-V962 HydrophobicContact CD2-CB 3.91Å; L955-V962 HydrophobicContact CD2-CG1 3.9Å; L955-V962 HydrophobicContact CD2-CG2 4.21Å; L955-V962 HydrophobicContact CG-CB 4.04Å; L955-V962 HydrophobicContact CG-CG2 4.03Å; L955-V962 PolarHBondContact O-N 2.79Å; L955-V962 VanDerWaalsContact O-N 3.12Å |
| 956 | S | 82.5 | Confident | 78.3 | Confident | 31 Ų | 31 | 58.9 Ų | 58.9 | 22% | 0.217 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 151.9 | 176.4 | 52.2 | 0 | 0 | 0 | 0 | 112.4 | I915 E916 L960 | I915-S956 WeakPolarHBondContact CA-O 3.19Å; E916-S956 PolarHBondContact N-O 2.95Å; E916-S956 PolarHBondContact O-N 2.81Å; S956-L960 CarbonylContact C-O 3.58Å; S956-L960 VanDerWaalsContact CA-O 3.24Å; S956-L960 WeakPolarHBondContact CA-O 3.42Å; S956-L960 WeakPolarHBondContact CB-O 3.49Å |
| 957 | Y | 79.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 118.1 | 177.3 | -177.1 | -76.5 | 0 | 0 | 0 | 107.9 | L862 L864 A903 V906 T907 A913 I915 Y939 G959 L960 | L862-Y957 HydrophobicContact CD2-CD1 3.72Å; L862-Y957 HydrophobicContact CD2-CE1 3.46Å; L862-Y957 VanDerWaalsContact CD2-CE1 3.46Å; L864-Y957 HydrophobicContact CD2-CD1 4.01Å; L864-Y957 HydrophobicContact CD2-CG 4.2Å; A903-Y957 HydrophobicContact CB-CD2 3.93Å; A903-Y957 HydrophobicContact CB-CE2 3.59Å; V906-Y957 HydrophobicContact CG2-CE1 4.37Å; V906-Y957 HydrophobicContact CG2-CE2 4.24Å; T907-Y957 VanDerWaalsContact CA-OH 3.27Å; T907-Y957 WeakPolarHBondContact CA-OH 3.1Å; T907-Y957 WeakPolarHBondContact CB-OH 3.2Å; T907-Y957 PolarHBondContact OG1-OH 3.46Å; A913-Y957 HydrophobicContact CB-CD1 4.3Å; A913-Y957 HydrophobicContact CB-CE1 3.44Å; A913-Y957 VanDerWaalsContact CB-CE1 3.44Å; I915-Y957 HydrophobicContact CD1-CD2 3.92Å; I915-Y957 HydrophobicContact CG1-CD2 3.52Å; I915-Y957 HydrophobicContact CG1-CE2 4.27Å; I915-Y957 HydrophobicContact CG1-CG 4.31Å; Y939-Y957 AromaticContact CE2-CE2 3.92Å; Y939-Y957 HydrophobicContact CE2-CE2 3.92Å; Y957-G959 PolarHBondContact O-N 2.96Å; Y957-L960 PolarHBondContact N-O 2.9Å; Y957-L960 WeakPolarHBondContact O-CB 3.44Å; Y957-L960 PolarHBondContact O-N 3.3Å |
| 958 | D | 76.6 | Confident | 78.9 | Confident | 52 Ų | 52 | 54 Ų | 54 | 28% | 0.278 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 40.2 | -177.3 | -168.3 | 45.9 | 0 | 0 | 0 | 113.1 | K784 Y861 A913 G914 L960 | K784-D958 IonicContact NZ-OD1 3.77Å; K784-D958 IonicContact NZ-OD2 3.15Å; K784-D958 PolarHBondContact NZ-OD2 3.01Å; Y861-D958 PolarHBondContact OH-OD2 2.87Å; A913-D958 HydrophobicContact CB-CB 3.84Å; G914-D958 PolarHBondContact O-N 2.82Å; D958-L960 PolarHBondContact O-N 3.31Å; D958-L960 VanDerWaalsContact O-N 3.16Å |
| 959 | G | 69.5 | Low | 79.3 | Confident | 70 Ų | 70 | 47 Ų | 47 | 72% | 0.722 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | -17.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y957 | Y957-G959 PolarHBondContact O-N 2.96Š|
| 960 | L | 78.8 | Confident | 79.4 | Confident | 47 Ų | 47 | 47.9 Ų | 47.9 | 25% | 0.246 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 136.9 | 175.6 | -65.3 | 174.5 | 0 | 0 | 0 | 110.9 | Y861 L862 L864 S956 Y957 D958 V962 | Y861-L960 HydrophobicContact CD1-CD1 4.39Å; Y861-L960 HydrophobicContact CE1-CD1 3.98Å; L862-L960 HydrophobicContact CB-CD1 4.46Å; L864-L960 HydrophobicContact CD1-CB 3.65Å; S956-L960 CarbonylContact C-O 3.58Å; S956-L960 VanDerWaalsContact CA-O 3.24Å; S956-L960 WeakPolarHBondContact CA-O 3.42Å; S956-L960 WeakPolarHBondContact CB-O 3.49Å; Y957-L960 PolarHBondContact N-O 2.9Å; Y957-L960 WeakPolarHBondContact O-CB 3.44Å; Y957-L960 PolarHBondContact O-N 3.3Å; D958-L960 PolarHBondContact O-N 3.31Å; D958-L960 VanDerWaalsContact O-N 3.16Å; L960-V962 PolarHBondContact O-N 2.92Å |
| 961 | P | 76 | Confident | 79.3 | Confident | 93 Ų | 93 | 43.1 Ų | 43.1 | 60% | 0.604 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 126.5 | 178.8 | 28.8 | -33.6 | 0 | 0 | 0 | 111.1 | T963 | P961-T963 VanDerWaalsContact C-N 3.33Å |
| 962 | V | 76.5 | Confident | 78.8 | Confident | 19 Ų | 19 | 46.3 Ų | 46.3 | 12% | 0.115 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -72.2 | -30.1 | -179.5 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | L864 V867 I869 L955 L960 | L864-V962 HydrophobicContact CD1-CG2 4.31Å; V867-V962 HydrophobicContact CB-CG1 4.03Å; V867-V962 HydrophobicContact CG1-CG1 3.63Å; I869-V962 HydrophobicContact CD1-CG1 4.46Å; L955-V962 HydrophobicContact CD2-CB 3.91Å; L955-V962 HydrophobicContact CD2-CG1 3.9Å; L955-V962 HydrophobicContact CD2-CG2 4.21Å; L955-V962 HydrophobicContact CG-CB 4.04Å; L955-V962 HydrophobicContact CG-CG2 4.03Å; L955-V962 PolarHBondContact O-N 2.79Å; L955-V962 VanDerWaalsContact O-N 3.12Å; L960-V962 PolarHBondContact O-N 2.92Å |
| 963 | T | 70.9 | Confident | 77.8 | Confident | 42 Ų | 42 | 50.4 Ų | 50.4 | 26% | 0.258 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -129.1 | 152.2 | -179.5 | 52.9 | 0 | 0 | 0 | 0 | 111.1 | I869 P961 G965 L967 | I869-T963 HydrophobicContact CD1-CG2 4.03Å; P961-T963 VanDerWaalsContact C-N 3.33Å; T963-G965 WeakPolarHBondContact CB-O 3.27Å; T963-G965 PolarHBondContact O-N 3.09Å; T963-G965 PolarHBondContact OG1-O 2.89Å; T963-L967 HydrophobicContact CG2-CD2 4.29Å |
| 964 | K | 62.8 | Low | 77.1 | Confident | 220 Ų | 220 | 52 Ų | 52 | 96% | 0.957 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -71 | 6.2 | 177 | -63.3 | -173.8 | 179 | -179.3 | 0 | 114.3 | ||
| 965 | G | 68.6 | Low | 76.6 | Confident | 37 Ų | 37 | 52.2 Ų | 52.2 | 38% | 0.381 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 177.7 | 168.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T963 | T963-G965 WeakPolarHBondContact CB-O 3.27Å; T963-G965 PolarHBondContact O-N 3.09Å; T963-G965 PolarHBondContact OG1-O 2.89Å |
| 966 | P | 79.2 | Confident | 76.1 | Confident | 47 Ų | 47 | 54.4 Ų | 54.4 | 31% | 0.305 | 33% | 0.325 | S | S | . | . | trans | -69.7 | 154.6 | -176.1 | 27.5 | -34.3 | 0 | 0 | 0 | 113.8 | E952 L953 L954 | E952-P966 HydrophobicContact CB-CB 4.06Å; E952-P966 HydrophobicContact CB-CG 4.48Å; L953-P966 CarbonylContact O-C 3.51Å; L953-P966 WeakPolarHBondContact O-CA 3.17Å; L953-P966 WeakPolarHBondContact O-CB 3.5Å; L954-P966 HydrophobicContact CD2-CB 3.9Å; L954-P966 HydrophobicContact CD2-CG 4.41Å; L954-P966 HydrophobicContact CG-CB 4.38Å | ||
| 967 | L | 81.9 | Confident | 75.7 | Confident | 10 Ų | 10 | 53.9 Ų | 53.9 | 5% | 0.052 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 156.1 | 167.8 | -44.2 | 170.2 | 0 | 0 | 0 | 109.8 | I869 L872 F899 E952 L953 T963 | I869-L967 HydrophobicContact CD1-CD1 4.09Å; I869-L967 HydrophobicContact CD1-CD2 4.14Å; I869-L967 HydrophobicContact CG2-CD1 4.36Å; L872-L967 HydrophobicContact CD1-CB 4.47Å; L872-L967 HydrophobicContact CD1-CD1 4Å; F899-L967 HydrophobicContact CE2-CD1 4.28Å; F899-L967 HydrophobicContact CZ-CD1 4.35Å; E952-L967 CarbonylContact C-O 3.58Å; E952-L967 WeakPolarHBondContact CA-O 3.38Å; L953-L967 HydrophobicContact CB-CB 4.14Å; L953-L967 HydrophobicContact CD1-CB 4.47Å; L953-L967 PolarHBondContact N-O 2.81Å; L953-L967 PolarHBondContact O-N 2.7Å; T963-L967 HydrophobicContact CG2-CD2 4.29Å |
| 968 | L | 81.9 | Confident | 75.5 | Confident | 45 Ų | 45 | 61.5 Ų | 61.5 | 24% | 0.236 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 132.6 | -177.8 | -74.5 | 164.2 | 0 | 0 | 0 | 112.1 | S888 V889 H951 E952 | S888-L968 WeakPolarHBondContact CA-O 3.27Å; V889-L968 PolarHBondContact N-O 2.89Å; H951-L968 WeakPolarHBondContact O-CA 3.47Å; E952-L968 HydrophobicContact CG-CD2 4.2Å |
| 969 | V | 83.3 | Confident | 75.5 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 156.4 | 179 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | L872 V889 V891 F943 K950 H951 L953 | L872-V969 HydrophobicContact CD1-CG1 4.05Å; L872-V969 HydrophobicContact CD2-CG1 3.8Å; V889-V969 HydrophobicContact CB-CG1 4.5Å; V889-V969 CarbonylContact O-C 3.53Å; V889-V969 WeakPolarHBondContact O-CA 3.38Å; V891-V969 HydrophobicContact CG2-CB 4.21Å; V891-V969 HydrophobicContact CG2-CG2 4.47Å; F943-V969 HydrophobicContact CE2-CB 4.45Å; F943-V969 HydrophobicContact CE2-CG2 3.75Å; F943-V969 HydrophobicContact CZ-CB 4.46Å; F943-V969 HydrophobicContact CZ-CG1 4.19Å; F943-V969 HydrophobicContact CZ-CG2 4.15Å; K950-V969 CarbonylContact C-O 3.59Å; K950-V969 VanDerWaalsContact CA-O 3.31Å; K950-V969 WeakPolarHBondContact CA-O 3.36Å; H951-V969 HydrophobicContact CB-CG2 3.81Å; H951-V969 PolarHBondContact N-O 2.79Å; H951-V969 PolarHBondContact O-N 3.14Å; H951-V969 VanDerWaalsContact O-N 3.12Å; L953-V969 HydrophobicContact CD1-CG1 4.2Å |
| 970 | E | 82.1 | Confident | 76 | Confident | 41 Ų | 41 | 59.9 Ų | 59.9 | 19% | 0.192 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 118.8 | -169.1 | -173.9 | 175.9 | 130.2 | 0 | 0 | 111.7 | S888 V889 D890 V891 K950 K972 | S888-E970 WeakPolarHBondContact CB-OE2 3.16Å; S888-E970 PolarHBondContact OG-OE2 3.36Å; V889-E970 PolarHBondContact O-N 2.94Å; D890-E970 WeakPolarHBondContact CA-O 3.31Å; V891-E970 WeakPolarHBondContact CG2-O 3.38Å; V891-E970 PolarHBondContact N-O 2.88Å; K950-E970 WeakPolarHBondContact CE-OE2 3.3Å; K950-E970 HydrophobicContact CG-CB 4.46Å; K950-E970 HydrophobicContact CG-CG 4.27Å; K950-E970 IonicContact NZ-OE2 2.69Å; K950-E970 PolarHBondContact NZ-OE2 2.81Å; K950-E970 VanDerWaalsContact NZ-OE2 3.16Å; E970-K972 WeakPolarHBondContact OE1-CE 3.08Å; E970-K972 IonicContact OE1-NZ 3.18Å; E970-K972 PolarHBondContact OE1-NZ 3.02Å |
| 971 | A | 81.5 | Confident | 75.9 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.008 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 136.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | V891 V893 P945 E948 G949 | V891-A971 HydrophobicContact CG2-CB 4.21Å; V891-A971 CarbonylContact O-C 3.56Å; V891-A971 VanDerWaalsContact O-CA 3.3Å; V891-A971 WeakPolarHBondContact O-CA 3.41Å; V893-A971 HydrophobicContact CG2-CB 3.62Å; P945-A971 HydrophobicContact CB-CB 3.55Å; P945-A971 HydrophobicContact CG-CB 4.13Å; E948-A971 VanDerWaalsContact CG-O 3.26Å; E948-A971 WeakPolarHBondContact CG-O 3.31Å; G949-A971 PolarHBondContact O-N 3.01Å |
| 972 | K | 75.4 | Confident | 76.3 | Confident | 69 Ų | 69 | 59.9 Ų | 59.9 | 30% | 0.3 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | -179.3 | -173.9 | -61.6 | 177.4 | -177.2 | 165.7 | 0 | 111.4 | D890 V891 F892 V893 E970 | D890-K972 WeakPolarHBondContact OD1-CE 3.38Å; D890-K972 IonicContact OD1-NZ 2.89Å; D890-K972 PolarHBondContact OD1-NZ 2.82Å; D890-K972 WeakPolarHBondContact OD2-CD 3.31Å; D890-K972 IonicContact OD2-NZ 3.16Å; D890-K972 PolarHBondContact OD2-NZ 2.97Å; V891-K972 PolarHBondContact O-N 2.8Å; F892-K972 CarbonylContact C-O 3.47Å; F892-K972 VanDerWaalsContact CA-O 3.25Å; F892-K972 WeakPolarHBondContact CA-O 3.33Å; V893-K972 PolarHBondContact N-O 2.87Å; E970-K972 WeakPolarHBondContact OE1-CE 3.08Å; E970-K972 IonicContact OE1-NZ 3.18Å; E970-K972 PolarHBondContact OE1-NZ 3.02Å |
| 973 | I | 66.7 | Low | 76.2 | Confident | 157 Ų | 157 | 63.5 Ų | 63.5 | 81% | 0.805 | 34% | 0.335 | S | S | * | . | trans | -118.6 | 134.1 | -178.2 | -59.8 | 172.9 | 0 | 0 | 0 | 110.9 | V893 | V893-I973 HydrophobicContact CB-CG1 4.41Š| ||
| 974 | G | 71.6 | Confident | 76.3 | Confident | 35 Ų | 35 | 63.4 Ų | 63.4 | 36% | 0.361 | 34% | 0.342 | S | S | . | . | trans | 167.4 | -168 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | G1006 | G974-G1006 WeakPolarHBondContact O-CA 3.44Š| ||
| 975 | S | 76.3 | Confident | 77 | Confident | 70 Ų | 70 | 58.4 Ų | 58.4 | 49% | 0.49 | 33% | 0.326 | S | S | . | . | trans | -156.4 | 147.5 | 179.8 | 58.8 | 0 | 0 | 0 | 0 | 113.3 | A1005 | S975-A1005 CarbonylContact C-O 3.5Å; S975-A1005 WeakPolarHBondContact CA-O 3.43Å; S975-A1005 VanDerWaalsContact CB-O 3.3Å; S975-A1005 WeakPolarHBondContact CB-O 3.09Å | ||
| 976 | D | 75.9 | Confident | 77.7 | Confident | 56 Ų | 56 | 56.7 Ų | 56.7 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | trans | -148.9 | 110.6 | 175.8 | 175.4 | 15.9 | 0 | 0 | 0 | 112.2 | K978 R979 A1005 | D976-K978 PolarHBondContact O-N 2.85Å; D976-K978 VanDerWaalsContact O-N 3.13Å; D976-K978 WeakPolarHBondContact OD1-CB 3.34Å; D976-K978 WeakPolarHBondContact OD1-CG 3.37Å; D976-K978 PolarHBondContact OD1-N 3.13Å; D976-R979 HydrophobicContact CB-CG 4.33Å; D976-R979 PolarHBondContact O-N 3.31Å; D976-A1005 PolarHBondContact N-O 3.33Å; D976-A1005 WeakPolarHBondContact O-CB 3.21Å | ||
| 977 | P | 75.6 | Confident | 77.9 | Confident | 21 Ų | 21 | 55.1 Ų | 55.1 | 14% | 0.136 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -59.1 | -21.4 | 177.6 | -25.1 | 34.8 | 0 | 0 | 0 | 115.6 | R979 C980 F1050 A1051 | P977-R979 PolarHBondContact O-N 3.21Å; P977-C980 WeakPolarHBondContact O-CB 3.26Å; P977-C980 PolarHBondContact O-N 3.42Å; P977-F1050 HydrophobicContact CB-CD1 3.99Å; P977-F1050 HydrophobicContact CG-CD1 4.12Å; P977-A1051 HydrophobicContact CG-CB 4.15Å |
| 978 | K | 74.1 | Confident | 77.5 | Confident | 160 Ų | 160 | 58.5 Ų | 58.5 | 70% | 0.696 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -69.4 | -18.6 | 179.8 | -62.5 | 172.8 | -176.7 | 171.2 | 0 | 112.9 | D976 C980 | D976-K978 PolarHBondContact O-N 2.85Å; D976-K978 VanDerWaalsContact O-N 3.13Å; D976-K978 WeakPolarHBondContact OD1-CB 3.34Å; D976-K978 WeakPolarHBondContact OD1-CG 3.37Å; D976-K978 PolarHBondContact OD1-N 3.13Å; K978-C980 VanDerWaalsContact C-N 3.35Å |
| 979 | R | 76.8 | Confident | 77.1 | Confident | 87 Ų | 87 | 61.5 Ų | 61.5 | 33% | 0.328 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -78.9 | -17.7 | 175.6 | -63.9 | -175.4 | 66.8 | 174.1 | 4.3 | 112.8 | D976 P977 G1004 A1005 | D976-R979 HydrophobicContact CB-CG 4.33Å; D976-R979 PolarHBondContact O-N 3.31Å; P977-R979 PolarHBondContact O-N 3.21Å; R979-G1004 VanDerWaalsContact CD-O 3.25Å; R979-G1004 WeakPolarHBondContact CD-O 3.39Å; R979-G1004 PolarHBondContact NE-O 3.03Å; R979-G1004 PolarHBondContact NH1-O 2.91Å; R979-A1005 HydrophobicContact CB-CB 4.03Å |
| 980 | C | 79.6 | Confident | 76.8 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.007 | 34% | 0.341 | C | S | . | . | trans | -64.3 | 133.3 | 172.9 | -65.6 | 0 | 0 | 0 | 0 | 110.9 | P977 K978 D1001 A1005 F1050 I1055 | P977-C980 WeakPolarHBondContact O-CB 3.26Å; P977-C980 PolarHBondContact O-N 3.42Å; K978-C980 VanDerWaalsContact C-N 3.35Å; C980-D1001 VanDerWaalsContact CA-O 3.32Å; C980-D1001 WeakPolarHBondContact CA-O 3.19Å; C980-A1005 WeakPolarHBondContact SG-CB 3.46Å; C980-F1050 VanDerWaalsContact SG-CD1 3.56Å; C980-F1050 VanDerWaalsContact SG-CG 3.5Å; C980-I1055 HydrophobicContact CB-CB 4.24Å; C980-I1055 HydrophobicContact CB-CG2 3.62Å | ||
| 981 | K | 78.2 | Confident | 76.5 | Confident | 118 Ų | 118 | 63.7 Ų | 63.7 | 51% | 0.513 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 155.6 | 178.4 | -62.2 | 166.8 | -171.5 | 166.5 | 0 | 109 | E898 V1000 D1001 | E898-K981 IonicContact OE1-NZ 2.82Å; K981-V1000 CarbonylContact O-C 3.5Å; K981-V1000 WeakPolarHBondContact O-CA 3.42Å; K981-V1000 WeakPolarHBondContact O-CG1 3.48Å; K981-D1001 HydrophobicContact CB-CB 4.45Å; K981-D1001 PolarHBondContact N-O 2.83Å; K981-D1001 PolarHBondContact O-N 3.19Å |
| 982 | V | 82.6 | Confident | 76.3 | Confident | 22 Ų | 22 | 65.5 Ų | 65.5 | 13% | 0.133 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 138.4 | 174.5 | 68.8 | 0 | 0 | 0 | 0 | 110.3 | L987 F998 S999 V1000 I1055 F1060 | V982-L987 HydrophobicContact CB-CD1 4.47Å; V982-L987 HydrophobicContact CG1-CD1 4.03Å; V982-L987 HydrophobicContact CG2-CD1 4.05Å; V982-L987 HydrophobicContact CG2-CD2 4.14Å; V982-F998 HydrophobicContact CG2-CD2 3.63Å; V982-F998 HydrophobicContact CG2-CE2 4.16Å; V982-S999 VanDerWaalsContact CA-O 3.32Å; V982-S999 WeakPolarHBondContact CA-O 3.44Å; V982-S999 VanDerWaalsContact CG2-O 3.28Å; V982-S999 WeakPolarHBondContact CG2-O 3.18Å; V982-V1000 HydrophobicContact CB-CG2 4.42Å; V982-V1000 HydrophobicContact CG2-CB 4.43Å; V982-V1000 HydrophobicContact CG2-CG2 3.78Å; V982-I1055 HydrophobicContact CB-CD1 3.74Å; V982-I1055 HydrophobicContact CG1-CD1 3.7Å; V982-F1060 HydrophobicContact CG1-CE1 3.99Å; V982-F1060 HydrophobicContact CG1-CE2 3.54Å; V982-F1060 HydrophobicContact CG1-CZ 3.21Å |
| 983 | T | 75.2 | Confident | 76.1 | Confident | 94 Ų | 94 | 64.3 Ų | 64.3 | 58% | 0.577 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 158.4 | -173.5 | 58.4 | 0 | 0 | 0 | 0 | 111.5 | F998 S999 | T983-F998 CarbonylContact O-C 3.59Å; T983-F998 WeakPolarHBondContact O-CA 3.14Å; T983-F998 WeakPolarHBondContact O-CB 3.46Å; T983-S999 PolarHBondContact N-O 3.38Å; T983-S999 PolarHBondContact O-N 3.45Å |
| 984 | G | 72.8 | Confident | 76.6 | Confident | 40 Ų | 40 | 60.1 Ų | 60.1 | 41% | 0.412 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 123.1 | 151.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G986 L987 | G984-G986 VanDerWaalsContact C-N 3.26Å; G984-G986 PolarHBondContact O-N 2.67Å; G984-L987 WeakPolarHBondContact O-CB 3.42Å; G984-L987 WeakPolarHBondContact O-CG 3.42Å; G984-L987 PolarHBondContact O-N 2.99Å; G984-L987 VanDerWaalsContact O-N 3.14Å |
| 985 | L | 77.4 | Confident | 77.1 | Confident | 116 Ų | 116 | 61.4 Ų | 61.4 | 61% | 0.607 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -63.1 | -30 | -167.9 | -64.2 | 177.3 | 0 | 0 | 0 | 113 | L987 T988 E989 | L985-L987 PolarHBondContact O-N 3.27Å; L985-T988 PolarHBondContact O-N 3.04Å; L985-T988 PolarHBondContact O-OG1 2.86Å; L985-E989 CarbonylContact C-O 3.55Å; L985-E989 HydrophobicContact CB-CG 4.27Å; L985-E989 HydrophobicContact CD2-CG 4.35Å; L985-E989 PolarHBondContact O-N 3.34Å |
| 986 | G | 83.2 | Confident | 77.3 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -60 | -10.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | G984 T988 R997 Y1036 A1062 | G984-G986 VanDerWaalsContact C-N 3.26Å; G984-G986 PolarHBondContact O-N 2.67Å; G986-T988 VanDerWaalsContact C-N 3.3Å; G986-R997 PolarHBondContact N-O 2.75Å; G986-Y1036 VanDerWaalsContact O-CE1 3.25Å; G986-Y1036 WeakPolarHBondContact O-CE1 3.42Å; G986-Y1036 PolarHBondContact O-OH 3.42Å; G986-A1062 WeakPolarHBondContact O-CB 3.26Å |
| 987 | L | 83.6 | Confident | 77.8 | Confident | 13 Ų | 13 | 61.9 Ų | 61.9 | 7% | 0.068 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -77.1 | -16.5 | 170.7 | -58.4 | 172.1 | 0 | 0 | 0 | 113.3 | V982 G984 L985 F998 I1046 F1060 T1061 | V982-L987 HydrophobicContact CB-CD1 4.47Å; V982-L987 HydrophobicContact CG1-CD1 4.03Å; V982-L987 HydrophobicContact CG2-CD1 4.05Å; V982-L987 HydrophobicContact CG2-CD2 4.14Å; G984-L987 WeakPolarHBondContact O-CB 3.42Å; G984-L987 WeakPolarHBondContact O-CG 3.42Å; G984-L987 PolarHBondContact O-N 2.99Å; G984-L987 VanDerWaalsContact O-N 3.14Å; L985-L987 PolarHBondContact O-N 3.27Å; L987-F998 HydrophobicContact CD1-CB 4.43Å; L987-F998 HydrophobicContact CD2-CB 3.96Å; L987-F998 HydrophobicContact CD2-CD1 4.15Å; L987-F998 HydrophobicContact CD2-CD2 3.83Å; L987-F998 HydrophobicContact CD2-CE2 4.29Å; L987-F998 HydrophobicContact CD2-CG 3.73Å; L987-F998 HydrophobicContact CG-CB 3.8Å; L987-F998 HydrophobicContact CG-CG 4.16Å; L987-I1046 HydrophobicContact CD2-CG2 4.49Å; L987-F1060 HydrophobicContact CB-CB 4.35Å; L987-F1060 HydrophobicContact CB-CG 4.49Å; L987-F1060 HydrophobicContact CD2-CB 4.32Å; L987-F1060 HydrophobicContact CD2-CD2 3.92Å; L987-F1060 HydrophobicContact CD2-CE2 4.46Å; L987-F1060 HydrophobicContact CD2-CG 4.04Å; L987-T1061 CarbonylContact O-C 3.52Å; L987-T1061 VanDerWaalsContact O-O 3.07Å |
| 988 | T | 74 | Confident | 78.4 | Confident | 81 Ų | 81 | 61 Ų | 61 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138 | -33.1 | -169 | 52.4 | 0 | 0 | 0 | 0 | 115 | L985 G986 A1062 R1063 | L985-T988 PolarHBondContact O-N 3.04Å; L985-T988 PolarHBondContact O-OG1 2.86Å; G986-T988 VanDerWaalsContact C-N 3.3Å; T988-A1062 VanDerWaalsContact C-CA 3.45Å; T988-A1062 CarbonylContact O-C 3.59Å; T988-A1062 VanDerWaalsContact O-CA 3.25Å; T988-A1062 WeakPolarHBondContact O-CA 3.48Å; T988-R1063 PolarHBondContact O-N 3.25Å |
| 989 | E | 74.4 | Confident | 78.9 | Confident | 108 Ų | 108 | 54.6 Ų | 54.6 | 51% | 0.505 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 166.8 | -175 | 60.7 | -170.5 | -157 | 0 | 0 | 114.6 | L985 R1063 | L985-E989 CarbonylContact C-O 3.55Å; L985-E989 HydrophobicContact CB-CG 4.27Å; L985-E989 HydrophobicContact CD2-CG 4.35Å; L985-E989 PolarHBondContact O-N 3.34Å; E989-R1063 CarbonylContact C-O 3.56Å; E989-R1063 WeakPolarHBondContact CA-O 3.28Å |
| 990 | G | 77 | Confident | 79.3 | Confident | 22 Ų | 22 | 50.4 Ų | 50.4 | 23% | 0.227 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.7 | -170.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R1063 L1064 E1065 | G990-R1063 PolarHBondContact N-O 2.84Å; G990-L1064 VanDerWaalsContact O-CA 3.27Å; G990-L1064 WeakPolarHBondContact O-CA 3.35Å; G990-E1065 PolarHBondContact O-N 2.83Å |
| 991 | I | 75.2 | Confident | 79.4 | Confident | 65 Ų | 65 | 51.4 Ų | 51.4 | 33% | 0.333 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 135.5 | 178.8 | -62.2 | 177.7 | 0 | 0 | 0 | 109.2 | G993 V994 E1065 P1067 | I991-G993 PolarHBondContact O-N 2.79Å; I991-V994 HydrophobicContact CB-CB 4.19Å; I991-V994 HydrophobicContact CB-CG2 3.87Å; I991-V994 HydrophobicContact CG2-CG2 3.82Å; I991-V994 WeakPolarHBondContact O-CB 3.34Å; I991-V994 PolarHBondContact O-N 3.37Å; I991-E1065 WeakPolarHBondContact CA-O 3.38Å; I991-P1067 HydrophobicContact CG2-CB 4.43Å |
| 992 | V | 76 | Confident | 79.3 | Confident | 40 Ų | 40 | 47.6 Ų | 47.6 | 24% | 0.242 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 132 | -177.8 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | V994 P1041 L1064 E1065 | V992-V994 VanDerWaalsContact C-N 3.26Å; V992-V994 PolarHBondContact O-N 2.96Å; V992-P1041 HydrophobicContact CG2-CB 3.7Å; V992-P1041 HydrophobicContact CG2-CG 4.3Å; V992-L1064 HydrophobicContact CG2-CB 4.01Å; V992-E1065 PolarHBondContact N-O 3.45Å |
| 993 | G | 72 | Confident | 79 | Confident | 43 Ų | 43 | 48.7 Ų | 48.7 | 44% | 0.443 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | -2.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | I991 Q1037 V1038 | I991-G993 PolarHBondContact O-N 2.79Å; G993-Q1037 PolarHBondContact O-NE2 3.45Å; G993-V1038 PolarHBondContact N-O 2.92Å |
| 994 | V | 77.9 | Confident | 78.8 | Confident | 70 Ų | 70 | 44.4 Ų | 44.4 | 42% | 0.424 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -100.9 | 142.6 | 172.3 | -175.8 | 0 | 0 | 0 | 0 | 109.7 | I991 V992 C996 | I991-V994 HydrophobicContact CB-CB 4.19Å; I991-V994 HydrophobicContact CB-CG2 3.87Å; I991-V994 HydrophobicContact CG2-CG2 3.82Å; I991-V994 WeakPolarHBondContact O-CB 3.34Å; I991-V994 PolarHBondContact O-N 3.37Å; V992-V994 VanDerWaalsContact C-N 3.26Å; V992-V994 PolarHBondContact O-N 2.96Å; V994-C996 PolarHBondContact O-N 3.03Å |
| 995 | P | 81.2 | Confident | 78.8 | Confident | 62 Ų | 62 | 42.5 Ų | 42.5 | 40% | 0.403 | 24% | 0.239 | S | C | . | . | trans | -64.1 | 118.4 | 171.7 | -22.8 | 34.7 | 0 | 0 | 0 | 112.2 | R997 E1035 | P995-R997 PolarHBondContact O-N 2.76Å; P995-E1035 HydrophobicContact CB-CB 4.35Å | ||
| 996 | C | 81.2 | Confident | 78.4 | Confident | 7 Ų | 7 | 38.2 Ų | 38.2 | 5% | 0.047 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 108.5 | 174.8 | -68.6 | 0 | 0 | 0 | 0 | 110.1 | V994 E1035 Y1036 L1064 | V994-C996 PolarHBondContact O-N 3.03Å; C996-E1035 WeakPolarHBondContact O-CA 3.3Å; C996-Y1036 HydrophobicContact CB-CD1 3.85Å; C996-Y1036 HydrophobicContact CB-CD2 4.35Å; C996-Y1036 HydrophobicContact CB-CE1 3.39Å; C996-Y1036 HydrophobicContact CB-CE2 3.95Å; C996-Y1036 HydrophobicContact CB-CG 4.29Å; C996-Y1036 VanDerWaalsContact CB-CZ 3.43Å; C996-Y1036 WeakPolarHBondContact CB-O 3.38Å; C996-Y1036 PolarHBondContact N-O 3Å; C996-Y1036 WeakPolarHBondContact O-CD1 3.3Å; C996-Y1036 PolarHBondContact O-N 2.69Å; C996-L1064 WeakPolarHBondContact SG-CD2 3.29Å |
| 997 | R | 85.7 | Confident | 78 | Confident | 129 Ų | 129 | 45.4 Ų | 45.4 | 49% | 0.487 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 139.3 | -175 | -175.4 | 176.3 | -177.1 | 143.8 | -7.5 | 113.4 | G986 P995 T1033 A1034 E1035 | G986-R997 PolarHBondContact N-O 2.75Å; P995-R997 PolarHBondContact O-N 2.76Å; R997-T1033 HydrophobicContact CG-CG2 4.03Å; R997-T1033 VanDerWaalsContact CZ-CG2 3.45Å; R997-T1033 VanDerWaalsContact NE-CG2 3.35Å; R997-T1033 PolarHBondContact NE-OG1 3.4Å; R997-T1033 PolarHBondContact NH2-OG1 2.85Å; R997-A1034 WeakPolarHBondContact CA-O 3.29Å; R997-E1035 HydrophobicContact CB-CG 3.91Å; R997-E1035 VanDerWaalsContact CD-OE1 3.31Å; R997-E1035 WeakPolarHBondContact CD-OE1 3.33Å; R997-E1035 HydrophobicContact CG-CG 3.85Å; R997-E1035 IonicContact CZ-OE1 2.82Å; R997-E1035 IonicContact NE-OE1 2.64Å; R997-E1035 IonicContact NH1-OE1 2.75Å; R997-E1035 PolarHBondContact NH1-OE1 2.7Å; R997-E1035 VanDerWaalsContact NH1-OE1 3.15Å |
| 998 | F | 88.5 | Confident | 77.4 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 1% | 0.013 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 172.7 | 161.5 | 65.4 | -89.7 | 0 | 0 | 0 | 110.9 | V982 T983 L987 V1000 I1012 T1033 A1034 Y1036 I1046 V1048 | V982-F998 HydrophobicContact CG2-CD2 3.63Å; V982-F998 HydrophobicContact CG2-CE2 4.16Å; T983-F998 CarbonylContact O-C 3.59Å; T983-F998 WeakPolarHBondContact O-CA 3.14Å; T983-F998 WeakPolarHBondContact O-CB 3.46Å; L987-F998 HydrophobicContact CD1-CB 4.43Å; L987-F998 HydrophobicContact CD2-CB 3.96Å; L987-F998 HydrophobicContact CD2-CD1 4.15Å; L987-F998 HydrophobicContact CD2-CD2 3.83Å; L987-F998 HydrophobicContact CD2-CE2 4.29Å; L987-F998 HydrophobicContact CD2-CG 3.73Å; L987-F998 HydrophobicContact CG-CB 3.8Å; L987-F998 HydrophobicContact CG-CG 4.16Å; F998-V1000 HydrophobicContact CE2-CG2 4.41Å; F998-I1012 HydrophobicContact CE2-CD1 4.11Å; F998-I1012 HydrophobicContact CZ-CD1 4.29Å; F998-I1012 HydrophobicContact CZ-CG2 3.82Å; F998-T1033 WeakPolarHBondContact O-CA 3.29Å; F998-A1034 HydrophobicContact CD1-CB 4.41Å; F998-A1034 HydrophobicContact CD2-CB 4.18Å; F998-A1034 HydrophobicContact CE1-CB 4Å; F998-A1034 HydrophobicContact CE2-CB 3.75Å; F998-A1034 HydrophobicContact CZ-CB 3.66Å; F998-A1034 PolarHBondContact N-O 3.44Å; F998-A1034 PolarHBondContact O-N 3.4Å; F998-Y1036 HydrophobicContact CD1-CD1 4.38Å; F998-Y1036 HydrophobicContact CD1-CE1 4.49Å; F998-Y1036 HydrophobicContact CE1-CD1 4.11Å; F998-Y1036 HydrophobicContact CE1-CE1 4.47Å; F998-I1046 HydrophobicContact CE1-CG2 3.75Å; F998-I1046 HydrophobicContact CE2-CG2 4.43Å; F998-I1046 HydrophobicContact CZ-CG2 3.59Å; F998-V1048 HydrophobicContact CE2-CG2 4Å; F998-V1048 HydrophobicContact CZ-CG2 4.44Å |
| 999 | S | 84.8 | Confident | 77.5 | Confident | 24 Ų | 24 | 48.3 Ų | 48.3 | 17% | 0.168 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 137.7 | -179.7 | -122.3 | 0 | 0 | 0 | 0 | 111.2 | V982 T983 N1027 C1032 T1033 | V982-S999 VanDerWaalsContact CA-O 3.32Å; V982-S999 WeakPolarHBondContact CA-O 3.44Å; V982-S999 VanDerWaalsContact CG2-O 3.28Å; V982-S999 WeakPolarHBondContact CG2-O 3.18Å; T983-S999 PolarHBondContact N-O 3.38Å; T983-S999 PolarHBondContact O-N 3.45Å; S999-N1027 PolarHBondContact OG-ND2 3.22Å; S999-C1032 CarbonylContact C-O 3.57Å; S999-C1032 WeakPolarHBondContact CA-O 3.48Å; S999-C1032 WeakPolarHBondContact CB-O 3.15Å; S999-C1032 PolarHBondContact OG-O 2.93Å; S999-T1033 WeakPolarHBondContact OG-CA 3.48Å; S999-T1033 PolarHBondContact OG-OG1 3.4Å |
| 1000 | V | 84.2 | Confident | 77.8 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 125.9 | 174.1 | -167.7 | 0 | 0 | 0 | 0 | 108.7 | K981 V982 F998 T1002 L1010 I1012 T1031 C1032 V1048 I1055 | K981-V1000 CarbonylContact O-C 3.5Å; K981-V1000 WeakPolarHBondContact O-CA 3.42Å; K981-V1000 WeakPolarHBondContact O-CG1 3.48Å; V982-V1000 HydrophobicContact CB-CG2 4.42Å; V982-V1000 HydrophobicContact CG2-CB 4.43Å; V982-V1000 HydrophobicContact CG2-CG2 3.78Å; F998-V1000 HydrophobicContact CE2-CG2 4.41Å; V1000-T1002 HydrophobicContact CG1-CG2 4.34Å; V1000-L1010 HydrophobicContact CB-CD1 4.45Å; V1000-L1010 HydrophobicContact CB-CD2 4.23Å; V1000-L1010 HydrophobicContact CG1-CD1 3.89Å; V1000-L1010 HydrophobicContact CG2-CD1 4.49Å; V1000-L1010 HydrophobicContact CG2-CD2 4.14Å; V1000-I1012 HydrophobicContact CG2-CD1 4.35Å; V1000-T1031 CarbonylContact O-C 3.59Å; V1000-T1031 WeakPolarHBondContact O-CA 3.27Å; V1000-T1031 VanDerWaalsContact O-CB 3.22Å; V1000-T1031 WeakPolarHBondContact O-CB 3.44Å; V1000-C1032 PolarHBondContact N-O 2.98Å; V1000-C1032 PolarHBondContact O-N 2.77Å; V1000-V1048 HydrophobicContact CG1-CG1 4.47Å; V1000-V1048 HydrophobicContact CG2-CG1 3.89Å; V1000-I1055 HydrophobicContact CG1-CD1 4.24Å |
| 1001 | D | 82.3 | Confident | 78.1 | Confident | 22 Ų | 22 | 46.4 Ų | 46.4 | 12% | 0.118 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 118.6 | 173.8 | -171.7 | -15.3 | 0 | 0 | 0 | 109 | R940 C980 K981 R1003 T1031 | R940-D1001 IonicContact CZ-OD2 3.17Å; R940-D1001 IonicContact NH1-OD2 2.89Å; R940-D1001 IonicContact NH2-OD2 3.6Å; R940-D1001 PolarHBondContact NH2-OD2 3.38Å; C980-D1001 VanDerWaalsContact CA-O 3.32Å; C980-D1001 WeakPolarHBondContact CA-O 3.19Å; K981-D1001 HydrophobicContact CB-CB 4.45Å; K981-D1001 PolarHBondContact N-O 2.83Å; K981-D1001 PolarHBondContact O-N 3.19Å; D1001-R1003 VanDerWaalsContact OD1-CB 3.26Å; D1001-R1003 WeakPolarHBondContact OD1-CB 3.36Å; D1001-R1003 WeakPolarHBondContact OD1-CG 3.33Å; D1001-R1003 IonicContact OD1-CZ 2.71Å; D1001-R1003 PolarHBondContact OD1-N 3.41Å; D1001-R1003 IonicContact OD1-NE 3.76Å; D1001-R1003 PolarHBondContact OD1-NE 2.91Å; D1001-R1003 IonicContact OD1-NH2 2.79Å; D1001-R1003 IonicContact OD2-CZ 2.87Å; D1001-R1003 IonicContact OD2-NE 3.62Å; D1001-R1003 PolarHBondContact OD2-NE 3.43Å; D1001-R1003 IonicContact OD2-NH2 2.74Å; D1001-R1003 PolarHBondContact OD2-NH2 2.71Å; D1001-T1031 HydrophobicContact CB-CG2 3.82Å |
| 1002 | T | 77.1 | Confident | 78.8 | Confident | 37 Ų | 37 | 45.4 Ų | 45.4 | 23% | 0.227 | 27% | 0.27 | C | S | . | . | trans | -105.9 | 6.9 | -179.5 | 63.1 | 0 | 0 | 0 | 0 | 112.5 | V1000 G1004 A1005 G1030 F1050 | V1000-T1002 HydrophobicContact CG1-CG2 4.34Å; T1002-G1004 PolarHBondContact O-N 3.38Å; T1002-A1005 WeakPolarHBondContact O-CB 3.47Å; T1002-A1005 PolarHBondContact O-N 2.95Å; T1002-G1030 PolarHBondContact N-O 3.37Å; T1002-G1030 PolarHBondContact OG1-O 2.83Å; T1002-G1030 VanDerWaalsContact OG1-O 3.12Å; T1002-F1050 HydrophobicContact CG2-CD2 3.98Å; T1002-F1050 HydrophobicContact CG2-CE2 3.81Å | ||
| 1003 | R | 75.4 | Confident | 79.2 | Confident | 46 Ų | 46 | 45.9 Ų | 45.9 | 17% | 0.174 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 134.3 | -177.4 | -71 | 175.5 | -80.4 | -131.9 | 4.7 | 112.2 | V896 R940 D1001 A1005 D1029 T1031 | V896-R1003 HydrophobicContact CB-CG 4.23Å; V896-R1003 HydrophobicContact CG1-CG 4.5Å; R940-R1003 VanDerWaalsContact NH1-NH2 3.19Å; D1001-R1003 VanDerWaalsContact OD1-CB 3.26Å; D1001-R1003 WeakPolarHBondContact OD1-CB 3.36Å; D1001-R1003 WeakPolarHBondContact OD1-CG 3.33Å; D1001-R1003 IonicContact OD1-CZ 2.71Å; D1001-R1003 PolarHBondContact OD1-N 3.41Å; D1001-R1003 IonicContact OD1-NE 3.76Å; D1001-R1003 PolarHBondContact OD1-NE 2.91Å; D1001-R1003 IonicContact OD1-NH2 2.79Å; D1001-R1003 IonicContact OD2-CZ 2.87Å; D1001-R1003 IonicContact OD2-NE 3.62Å; D1001-R1003 PolarHBondContact OD2-NE 3.43Å; D1001-R1003 IonicContact OD2-NH2 2.74Å; D1001-R1003 PolarHBondContact OD2-NH2 2.71Å; R1003-A1005 PolarHBondContact O-N 2.88Å; R1003-D1029 IonicContact CZ-OD2 2.81Å; R1003-D1029 PolarHBondContact NH1-O 2.92Å; R1003-D1029 IonicContact NH1-OD2 2.65Å; R1003-D1029 PolarHBondContact NH1-OD2 3.49Å; R1003-D1029 IonicContact NH2-OD2 2.75Å; R1003-T1031 VanDerWaalsContact CZ-CG2 3.47Å |
| 1004 | G | 70.8 | Confident | 80.1 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | -7.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | F892 V896 R979 T1002 G1006 | F892-G1004 WeakPolarHBondContact CD2-O 3.27Å; V896-G1004 PolarHBondContact O-N 3Å; R979-G1004 VanDerWaalsContact CD-O 3.25Å; R979-G1004 WeakPolarHBondContact CD-O 3.39Å; R979-G1004 PolarHBondContact NE-O 3.03Å; R979-G1004 PolarHBondContact NH1-O 2.91Å; T1002-G1004 PolarHBondContact O-N 3.38Å; G1004-G1006 PolarHBondContact O-N 2.89Å |
| 1005 | A | 73.5 | Confident | 80.2 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -75.5 | -5.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S975 D976 R979 C980 T1002 R1003 F1050 | S975-A1005 CarbonylContact C-O 3.5Å; S975-A1005 WeakPolarHBondContact CA-O 3.43Å; S975-A1005 VanDerWaalsContact CB-O 3.3Å; S975-A1005 WeakPolarHBondContact CB-O 3.09Å; D976-A1005 PolarHBondContact N-O 3.33Å; D976-A1005 WeakPolarHBondContact O-CB 3.21Å; R979-A1005 HydrophobicContact CB-CB 4.03Å; C980-A1005 WeakPolarHBondContact SG-CB 3.46Å; T1002-A1005 WeakPolarHBondContact O-CB 3.47Å; T1002-A1005 PolarHBondContact O-N 2.95Å; R1003-A1005 PolarHBondContact O-N 2.88Å; A1005-F1050 HydrophobicContact CB-CE1 4.11Å; A1005-F1050 HydrophobicContact CB-CZ 4.4Å |
| 1006 | G | 69.4 | Low | 80.3 | Confident | 26 Ų | 26 | 45.6 Ų | 45.6 | 27% | 0.268 | 27% | 0.265 | S | S | . | . | trans | 71.7 | -156.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G974 G1004 | G974-G1006 WeakPolarHBondContact O-CA 3.44Å; G1004-G1006 PolarHBondContact O-N 2.89Å | ||
| 1007 | N | 73.1 | Confident | 80.2 | Confident | 153 Ų | 153 | 48.4 Ų | 48.4 | 82% | 0.818 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -95.5 | 128.9 | -168 | -152.2 | -23.7 | 0 | 0 | 0 | 112 | ||
| 1008 | G | 72.7 | Confident | 79.6 | Confident | 29 Ų | 29 | 43.1 Ų | 43.1 | 30% | 0.299 | 27% | 0.266 | S | S | . | . | trans | 178.7 | 159.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F1050 | G1008-F1050 WeakPolarHBondContact O-CE2 3.49Š| ||
| 1009 | N | 75.1 | Confident | 79 | Confident | 125 Ų | 125 | 52.7 Ų | 52.7 | 67% | 0.668 | 31% | 0.308 | S | S | * | . | trans | -81.7 | 150.5 | -179.9 | -69.7 | -23.5 | 0 | 0 | 0 | 112.3 | F1050 A1051 | N1009-F1050 CarbonylContact O-C 3.43Å; N1009-F1050 VanDerWaalsContact O-CA 3.27Å; N1009-F1050 WeakPolarHBondContact O-CA 3.22Å; N1009-A1051 PolarHBondContact O-N 2.8Å | ||
| 1010 | L | 81.7 | Confident | 78.7 | Confident | 62 Ų | 62 | 52.6 Ų | 52.6 | 33% | 0.325 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 142.4 | 176.6 | -169.1 | 81.5 | 0 | 0 | 0 | 111.7 | V1000 I1012 C1032 V1048 L1049 F1050 | V1000-L1010 HydrophobicContact CB-CD1 4.45Å; V1000-L1010 HydrophobicContact CB-CD2 4.23Å; V1000-L1010 HydrophobicContact CG1-CD1 3.89Å; V1000-L1010 HydrophobicContact CG2-CD1 4.49Å; V1000-L1010 HydrophobicContact CG2-CD2 4.14Å; L1010-I1012 HydrophobicContact CD2-CD1 4.29Å; L1010-C1032 WeakPolarHBondContact CD2-SG 3.49Å; L1010-V1048 HydrophobicContact CD1-CG1 4.2Å; L1010-L1049 CarbonylContact C-O 3.57Å; L1010-L1049 WeakPolarHBondContact CA-O 3.47Å; L1010-L1049 VanDerWaalsContact CD1-O 3.26Å; L1010-L1049 WeakPolarHBondContact CD1-O 3.37Å; L1010-F1050 HydrophobicContact CB-CD2 4.45Å; L1010-F1050 HydrophobicContact CD1-CB 4.22Å; L1010-F1050 HydrophobicContact CD1-CD2 3.99Å |
| 1011 | G | 82.8 | Confident | 78.6 | Confident | 28 Ų | 28 | 57.6 Ų | 57.6 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 146.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | V1048 L1049 | G1011-V1048 CarbonylContact O-C 3.57Å; G1011-V1048 WeakPolarHBondContact O-CA 3.38Å; G1011-L1049 PolarHBondContact N-O 2.82Å; G1011-L1049 PolarHBondContact O-N 3.14Å |
| 1012 | I | 88.7 | Confident | 78.7 | Confident | 45 Ų | 45 | 59.9 Ų | 59.9 | 23% | 0.231 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 142.9 | -172.9 | -63 | 179.5 | 0 | 0 | 0 | 111 | F998 V1000 L1010 I1022 A1034 S1047 V1048 | F998-I1012 HydrophobicContact CE2-CD1 4.11Å; F998-I1012 HydrophobicContact CZ-CD1 4.29Å; F998-I1012 HydrophobicContact CZ-CG2 3.82Å; V1000-I1012 HydrophobicContact CG2-CD1 4.35Å; L1010-I1012 HydrophobicContact CD2-CD1 4.29Å; I1012-I1022 HydrophobicContact CG2-CG2 4.5Å; I1012-A1034 HydrophobicContact CD1-CB 3.63Å; I1012-S1047 WeakPolarHBondContact CA-O 3.44Å; I1012-V1048 HydrophobicContact CG1-CG1 4.34Å; I1012-V1048 HydrophobicContact CG1-CG2 4.43Å |
| 1013 | S | 85.7 | Confident | 78.8 | Confident | 50 Ų | 50 | 61 Ų | 61 | 35% | 0.35 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 158.5 | 170 | 69.5 | 0 | 0 | 0 | 0 | 113.4 | I1046 S1047 | S1013-I1046 CarbonylContact O-C 3.55Å; S1013-I1046 WeakPolarHBondContact O-CA 3.38Å; S1013-S1047 PolarHBondContact N-O 3.39Å; S1013-S1047 PolarHBondContact O-N 2.81Å; S1013-S1047 WeakPolarHBondContact OG-CB 3.31Å |
| 1014 | V | 90.7 | Very high | 78.9 | Confident | 20 Ų | 20 | 62.4 Ų | 62.4 | 12% | 0.121 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 132 | 178.6 | -178.3 | 0 | 0 | 0 | 0 | 111 | A1020 I1022 Y1036 Y1044 K1045 I1046 | V1014-A1020 HydrophobicContact CB-CB 3.94Å; V1014-A1020 HydrophobicContact CG1-CB 3.75Å; V1014-I1022 HydrophobicContact CB-CD1 3.86Å; V1014-I1022 HydrophobicContact CB-CG1 4.31Å; V1014-I1022 HydrophobicContact CG2-CD1 3.8Å; V1014-I1022 HydrophobicContact CG2-CG1 4.12Å; V1014-Y1036 HydrophobicContact CG1-CD2 3.92Å; V1014-Y1036 HydrophobicContact CG1-CE2 4.16Å; V1014-Y1036 HydrophobicContact CG1-CG 4.33Å; V1014-Y1036 HydrophobicContact CG2-CD1 4.2Å; V1014-Y1036 HydrophobicContact CG2-CD2 4.41Å; V1014-Y1036 HydrophobicContact CG2-CG 3.98Å; V1014-Y1044 HydrophobicContact CG1-CD1 4.32Å; V1014-K1045 CarbonylContact C-O 3.59Å; V1014-K1045 VanDerWaalsContact CA-O 3.32Å; V1014-K1045 WeakPolarHBondContact CA-O 3.41Å; V1014-I1046 HydrophobicContact CG1-CG1 4.34Å; V1014-I1046 HydrophobicContact CG2-CB 4.46Å; V1014-I1046 HydrophobicContact CG2-CG1 4Å; V1014-I1046 HydrophobicContact CG2-CG2 4.17Å |
| 1015 | E | 79.3 | Confident | 79.3 | Confident | 105 Ų | 105 | 65.8 Ų | 65.8 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 144.7 | -179.8 | -57.4 | -179.6 | 124.1 | 0 | 0 | 110.7 | Y1044 K1045 | E1015-Y1044 CarbonylContact O-C 3.49Å; E1015-Y1044 VanDerWaalsContact O-CA 3.25Å; E1015-Y1044 WeakPolarHBondContact O-CA 3.46Å; E1015-K1045 PolarHBondContact N-O 3.23Å; E1015-K1045 PolarHBondContact O-N 3.29Å; E1015-K1045 IonicContact OE2-NZ 2.71Å; E1015-K1045 PolarHBondContact OE2-NZ 3.07Å |
| 1016 | G | 83.7 | Confident | 79.3 | Confident | 43 Ų | 43 | 71.2 Ų | 71.2 | 44% | 0.443 | 43% | 0.425 | S | S | . | . | S | Bend | trans | 168.3 | -166.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S1018 | G1016-S1018 PolarHBondContact O-N 3.35Å; G1016-S1018 VanDerWaalsContact O-N 3.08Å |
| 1017 | P | 78.3 | Confident | 79.6 | Confident | 67 Ų | 67 | 72.8 Ų | 72.8 | 44% | 0.435 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -68.6 | -4.3 | -172.2 | 23.3 | -32 | 0 | 0 | 0 | 115.9 | E1043 Y1044 | P1017-E1043 WeakPolarHBondContact CD-O 3.12Å; P1017-Y1044 HydrophobicContact CG-CE1 4.32Å; P1017-Y1044 HydrophobicContact CG-CE2 3.86Å |
| 1018 | S | 75 | Confident | 78.9 | Confident | 18 Ų | 18 | 72.5 Ų | 72.5 | 13% | 0.126 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -138.3 | 163 | 161.5 | 68.6 | 0 | 0 | 0 | 0 | 109.7 | G1016 A1020 S1039 Y1044 | G1016-S1018 PolarHBondContact O-N 3.35Å; G1016-S1018 VanDerWaalsContact O-N 3.08Å; S1018-A1020 PolarHBondContact O-N 2.94Å; S1018-S1039 PolarHBondContact OG-N 2.74Å; S1018-Y1044 PolarHBondContact N-OH 3.41Å; S1018-Y1044 WeakPolarHBondContact O-CE1 3.12Å; S1018-Y1044 PolarHBondContact OG-OH 2.74Å |
| 1019 | K | 74.5 | Confident | 78.7 | Confident | 203 Ų | 203 | 74.5 Ų | 74.5 | 88% | 0.883 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 120.8 | 168.6 | -79.7 | -168.6 | 172.8 | -172.3 | 0 | 108.9 | ||
| 1020 | A | 79.6 | Confident | 78.3 | Confident | 22 Ų | 22 | 70 Ų | 70 | 18% | 0.182 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 137.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | V1014 S1018 I1022 Y1036 Q1037 V1038 | V1014-A1020 HydrophobicContact CB-CB 3.94Å; V1014-A1020 HydrophobicContact CG1-CB 3.75Å; S1018-A1020 PolarHBondContact O-N 2.94Å; A1020-I1022 HydrophobicContact CB-CG1 4.35Å; A1020-Y1036 HydrophobicContact CB-CD2 4.02Å; A1020-Q1037 WeakPolarHBondContact CA-O 3.37Å; A1020-V1038 HydrophobicContact CB-CG1 3.65Å |
| 1021 | V | 80.6 | Confident | 78.2 | Confident | 105 Ų | 105 | 67.7 Ų | 67.7 | 64% | 0.636 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 126.7 | 160.1 | 178.7 | 0 | 0 | 0 | 0 | 106.5 | Y1036 Q1037 | V1021-Y1036 CarbonylContact O-C 3.56Å; V1021-Y1036 WeakPolarHBondContact O-CA 3.39Å; V1021-Q1037 PolarHBondContact N-O 3.49Å; V1021-Q1037 PolarHBondContact O-N 2.98Å |
| 1022 | I | 85.1 | Confident | 77.8 | Confident | 70 Ų | 70 | 67 Ų | 67 | 36% | 0.359 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 133.9 | -177.7 | -50.9 | 169.5 | 0 | 0 | 0 | 109 | I1012 V1014 A1020 E1035 | I1012-I1022 HydrophobicContact CG2-CG2 4.5Å; V1014-I1022 HydrophobicContact CB-CD1 3.86Å; V1014-I1022 HydrophobicContact CB-CG1 4.31Å; V1014-I1022 HydrophobicContact CG2-CD1 3.8Å; V1014-I1022 HydrophobicContact CG2-CG1 4.12Å; A1020-I1022 HydrophobicContact CB-CG1 4.35Å; I1022-E1035 WeakPolarHBondContact CA-O 3.36Å |
| 1023 | S | 78.9 | Confident | 77.5 | Confident | 62 Ų | 62 | 65 Ų | 65 | 43% | 0.434 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 155.9 | 165.6 | 62.4 | 0 | 0 | 0 | 0 | 110.1 | A1034 E1035 | S1023-A1034 WeakPolarHBondContact O-CA 3.22Å; S1023-E1035 PolarHBondContact N-O 2.97Å; S1023-E1035 PolarHBondContact O-N 2.84Å |
| 1024 | C | 78.5 | Confident | 77.5 | Confident | 74 Ų | 74 | 62.6 Ų | 62.6 | 50% | 0.5 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 135.8 | 173.8 | -162.6 | 0 | 0 | 0 | 0 | 109.3 | T1033 | C1024-T1033 CarbonylContact C-O 3.6Å; C1024-T1033 WeakPolarHBondContact CA-O 3.49Å; C1024-T1033 PolarHBondContact SG-O 2.8Å; C1024-T1033 VanDerWaalsContact SG-O 3.37Å |
| 1025 | T | 77.8 | Confident | 77.3 | Confident | 74 Ų | 74 | 64.3 Ų | 64.3 | 45% | 0.454 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 130.4 | -178.4 | 50.8 | 0 | 0 | 0 | 0 | 109.5 | C1032 T1033 | T1025-C1032 CarbonylContact O-C 3.48Å; T1025-C1032 VanDerWaalsContact O-CA 3.3Å; T1025-C1032 WeakPolarHBondContact O-CA 3.49Å; T1025-C1032 WeakPolarHBondContact O-CB 3.4Å; T1025-T1033 PolarHBondContact N-O 2.85Å; T1025-T1033 PolarHBondContact O-N 3.46Å; T1025-T1033 PolarHBondContact OG1-O 2.85Å |
| 1026 | D | 74.2 | Confident | 77.8 | Confident | 114 Ų | 114 | 59.4 Ų | 59.4 | 61% | 0.61 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 135.2 | 164.9 | -163.1 | -21.3 | 0 | 0 | 0 | 108.8 | N1028 | D1026-N1028 PolarHBondContact OD1-N 3.44Å |
| 1027 | N | 75.4 | Confident | 77.8 | Confident | 60 Ų | 60 | 61.5 Ų | 61.5 | 32% | 0.321 | 35% | 0.347 | S | S | . | . | trans | -93.3 | -3.7 | 175.6 | -61.9 | -37 | 0 | 0 | 0 | 112 | S999 D1029 T1031 T1033 | S999-N1027 PolarHBondContact OG-ND2 3.22Å; N1027-D1029 WeakPolarHBondContact CB-OD1 3.48Å; N1027-D1029 PolarHBondContact O-N 3.29Å; N1027-D1029 VanDerWaalsContact O-N 3.16Å; N1027-T1031 WeakPolarHBondContact CB-O 3.28Å; N1027-T1031 PolarHBondContact N-O 2.83Å; N1027-T1031 PolarHBondContact ND2-OG1 2.77Å; N1027-T1033 PolarHBondContact ND2-N 3.3Å; N1027-T1033 PolarHBondContact ND2-OG1 2.84Å | ||
| 1028 | N | 59.3 | Low | 78 | Confident | 146 Ų | 146 | 58.6 Ų | 58.6 | 78% | 0.781 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 59.4 | 13.8 | -176.2 | -62.7 | -2.6 | 0 | 0 | 0 | 115.1 | D1026 | D1026-N1028 PolarHBondContact OD1-N 3.44Š|
| 1029 | D | 67.3 | Low | 78 | Confident | 72 Ų | 72 | 62 Ų | 62 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -110.2 | 9.9 | -179.9 | 83 | -41.7 | 0 | 0 | 0 | 113.9 | R1003 N1027 T1031 | R1003-D1029 IonicContact CZ-OD2 2.81Å; R1003-D1029 PolarHBondContact NH1-O 2.92Å; R1003-D1029 IonicContact NH1-OD2 2.65Å; R1003-D1029 PolarHBondContact NH1-OD2 3.49Å; R1003-D1029 IonicContact NH2-OD2 2.75Å; N1027-D1029 WeakPolarHBondContact CB-OD1 3.48Å; N1027-D1029 PolarHBondContact O-N 3.29Å; N1027-D1029 VanDerWaalsContact O-N 3.16Å; D1029-T1031 WeakPolarHBondContact OD1-CA 3.39Å; D1029-T1031 VanDerWaalsContact OD1-CB 3.27Å; D1029-T1031 WeakPolarHBondContact OD1-CB 3.26Å; D1029-T1031 WeakPolarHBondContact OD1-CG2 3.3Å; D1029-T1031 PolarHBondContact OD1-N 2.68Å; D1029-T1031 PolarHBondContact OD1-OG1 2.84Å |
| 1030 | G | 67.6 | Low | 77.7 | Confident | 29 Ų | 29 | 58 Ų | 58 | 30% | 0.299 | 33% | 0.334 | S | S | . | . | S | Bend | trans | 85 | 12.5 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T1002 | T1002-G1030 PolarHBondContact N-O 3.37Å; T1002-G1030 PolarHBondContact OG1-O 2.83Å; T1002-G1030 VanDerWaalsContact OG1-O 3.12Å |
| 1031 | T | 78.9 | Confident | 77.2 | Confident | 14 Ų | 14 | 60.9 Ų | 60.9 | 9% | 0.086 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 156.9 | 168.5 | 78.4 | 0 | 0 | 0 | 0 | 111.1 | V1000 D1001 R1003 N1027 D1029 | V1000-T1031 CarbonylContact O-C 3.59Å; V1000-T1031 WeakPolarHBondContact O-CA 3.27Å; V1000-T1031 VanDerWaalsContact O-CB 3.22Å; V1000-T1031 WeakPolarHBondContact O-CB 3.44Å; D1001-T1031 HydrophobicContact CB-CG2 3.82Å; R1003-T1031 VanDerWaalsContact CZ-CG2 3.47Å; N1027-T1031 WeakPolarHBondContact CB-O 3.28Å; N1027-T1031 PolarHBondContact N-O 2.83Å; N1027-T1031 PolarHBondContact ND2-OG1 2.77Å; D1029-T1031 WeakPolarHBondContact OD1-CA 3.39Å; D1029-T1031 VanDerWaalsContact OD1-CB 3.27Å; D1029-T1031 WeakPolarHBondContact OD1-CB 3.26Å; D1029-T1031 WeakPolarHBondContact OD1-CG2 3.3Å; D1029-T1031 PolarHBondContact OD1-N 2.68Å; D1029-T1031 PolarHBondContact OD1-OG1 2.84Å |
| 1032 | C | 74.8 | Confident | 77 | Confident | 15 Ų | 15 | 57.3 Ų | 57.3 | 10% | 0.101 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 152.6 | 162.7 | 78.5 | 0 | 0 | 0 | 0 | 109.8 | S999 V1000 L1010 T1025 | S999-C1032 CarbonylContact C-O 3.57Å; S999-C1032 WeakPolarHBondContact CA-O 3.48Å; S999-C1032 WeakPolarHBondContact CB-O 3.15Å; S999-C1032 PolarHBondContact OG-O 2.93Å; V1000-C1032 PolarHBondContact N-O 2.98Å; V1000-C1032 PolarHBondContact O-N 2.77Å; L1010-C1032 WeakPolarHBondContact CD2-SG 3.49Å; T1025-C1032 CarbonylContact O-C 3.48Å; T1025-C1032 VanDerWaalsContact O-CA 3.3Å; T1025-C1032 WeakPolarHBondContact O-CA 3.49Å; T1025-C1032 WeakPolarHBondContact O-CB 3.4Å |
| 1033 | T | 82.4 | Confident | 76.9 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.012 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 137.1 | 166.7 | -92.3 | 0 | 0 | 0 | 0 | 108.7 | R997 F998 S999 C1024 T1025 N1027 E1035 | R997-T1033 HydrophobicContact CG-CG2 4.03Å; R997-T1033 VanDerWaalsContact CZ-CG2 3.45Å; R997-T1033 VanDerWaalsContact NE-CG2 3.35Å; R997-T1033 PolarHBondContact NE-OG1 3.4Å; R997-T1033 PolarHBondContact NH2-OG1 2.85Å; F998-T1033 WeakPolarHBondContact O-CA 3.29Å; S999-T1033 WeakPolarHBondContact OG-CA 3.48Å; S999-T1033 PolarHBondContact OG-OG1 3.4Å; C1024-T1033 CarbonylContact C-O 3.6Å; C1024-T1033 WeakPolarHBondContact CA-O 3.49Å; C1024-T1033 PolarHBondContact SG-O 2.8Å; C1024-T1033 VanDerWaalsContact SG-O 3.37Å; T1025-T1033 PolarHBondContact N-O 2.85Å; T1025-T1033 PolarHBondContact O-N 3.46Å; T1025-T1033 PolarHBondContact OG1-O 2.85Å; N1027-T1033 PolarHBondContact ND2-N 3.3Å; N1027-T1033 PolarHBondContact ND2-OG1 2.84Å; T1033-E1035 HydrophobicContact CG2-CG 3.99Å |
| 1034 | A | 85.7 | Confident | 77.2 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 137.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | R997 F998 I1012 S1023 | R997-A1034 WeakPolarHBondContact CA-O 3.29Å; F998-A1034 HydrophobicContact CD1-CB 4.41Å; F998-A1034 HydrophobicContact CD2-CB 4.18Å; F998-A1034 HydrophobicContact CE1-CB 4Å; F998-A1034 HydrophobicContact CE2-CB 3.75Å; F998-A1034 HydrophobicContact CZ-CB 3.66Å; F998-A1034 PolarHBondContact N-O 3.44Å; F998-A1034 PolarHBondContact O-N 3.4Å; I1012-A1034 HydrophobicContact CD1-CB 3.63Å; S1023-A1034 WeakPolarHBondContact O-CA 3.22Å |
| 1035 | E | 87.4 | Confident | 77.8 | Confident | 56 Ų | 56 | 56.3 Ų | 56.3 | 26% | 0.262 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 138.8 | 177.7 | -60.5 | -172.7 | 169.6 | 0 | 0 | 108.9 | P995 C996 R997 I1022 S1023 T1033 | P995-E1035 HydrophobicContact CB-CB 4.35Å; C996-E1035 WeakPolarHBondContact O-CA 3.3Å; R997-E1035 HydrophobicContact CB-CG 3.91Å; R997-E1035 VanDerWaalsContact CD-OE1 3.31Å; R997-E1035 WeakPolarHBondContact CD-OE1 3.33Å; R997-E1035 HydrophobicContact CG-CG 3.85Å; R997-E1035 IonicContact CZ-OE1 2.82Å; R997-E1035 IonicContact NE-OE1 2.64Å; R997-E1035 IonicContact NH1-OE1 2.75Å; R997-E1035 PolarHBondContact NH1-OE1 2.7Å; R997-E1035 VanDerWaalsContact NH1-OE1 3.15Å; I1022-E1035 WeakPolarHBondContact CA-O 3.36Å; S1023-E1035 PolarHBondContact N-O 2.97Å; S1023-E1035 PolarHBondContact O-N 2.84Å; T1033-E1035 HydrophobicContact CG2-CG 3.99Å |
| 1036 | Y | 89.2 | Confident | 78.5 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 139.6 | 173 | 76.6 | -85.2 | 0 | 0 | 0 | 112 | G986 C996 F998 V1014 A1020 V1021 V1038 I1046 A1062 | G986-Y1036 VanDerWaalsContact O-CE1 3.25Å; G986-Y1036 WeakPolarHBondContact O-CE1 3.42Å; G986-Y1036 PolarHBondContact O-OH 3.42Å; C996-Y1036 HydrophobicContact CB-CD1 3.85Å; C996-Y1036 HydrophobicContact CB-CD2 4.35Å; C996-Y1036 HydrophobicContact CB-CE1 3.39Å; C996-Y1036 HydrophobicContact CB-CE2 3.95Å; C996-Y1036 HydrophobicContact CB-CG 4.29Å; C996-Y1036 VanDerWaalsContact CB-CZ 3.43Å; C996-Y1036 WeakPolarHBondContact CB-O 3.38Å; C996-Y1036 PolarHBondContact N-O 3Å; C996-Y1036 WeakPolarHBondContact O-CD1 3.3Å; C996-Y1036 PolarHBondContact O-N 2.69Å; F998-Y1036 HydrophobicContact CD1-CD1 4.38Å; F998-Y1036 HydrophobicContact CD1-CE1 4.49Å; F998-Y1036 HydrophobicContact CE1-CD1 4.11Å; F998-Y1036 HydrophobicContact CE1-CE1 4.47Å; V1014-Y1036 HydrophobicContact CG1-CD2 3.92Å; V1014-Y1036 HydrophobicContact CG1-CE2 4.16Å; V1014-Y1036 HydrophobicContact CG1-CG 4.33Å; V1014-Y1036 HydrophobicContact CG2-CD1 4.2Å; V1014-Y1036 HydrophobicContact CG2-CD2 4.41Å; V1014-Y1036 HydrophobicContact CG2-CG 3.98Å; A1020-Y1036 HydrophobicContact CB-CD2 4.02Å; V1021-Y1036 CarbonylContact O-C 3.56Å; V1021-Y1036 WeakPolarHBondContact O-CA 3.39Å; Y1036-V1038 HydrophobicContact CD2-CG1 3.92Å; Y1036-V1038 HydrophobicContact CE2-CG1 4.09Å; Y1036-I1046 HydrophobicContact CE1-CG1 4.23Å; Y1036-A1062 WeakPolarHBondContact OH-CB 3.48Å |
| 1037 | Q | 83.9 | Confident | 79.1 | Confident | 87 Ų | 87 | 48 Ų | 48 | 41% | 0.407 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 135.8 | -176.7 | -164.8 | -177.3 | 15.3 | 0 | 0 | 110.2 | G993 A1020 V1021 | G993-Q1037 PolarHBondContact O-NE2 3.45Å; A1020-Q1037 WeakPolarHBondContact CA-O 3.37Å; V1021-Q1037 PolarHBondContact N-O 3.49Å; V1021-Q1037 PolarHBondContact O-N 2.98Å |
| 1038 | V | 82.6 | Confident | 79.8 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | trans | -133.7 | 149.4 | -173.9 | -66.3 | 0 | 0 | 0 | 0 | 111.8 | G993 A1020 Y1036 Y1044 L1064 | G993-V1038 PolarHBondContact N-O 2.92Å; A1020-V1038 HydrophobicContact CB-CG1 3.65Å; Y1036-V1038 HydrophobicContact CD2-CG1 3.92Å; Y1036-V1038 HydrophobicContact CE2-CG1 4.09Å; V1038-Y1044 HydrophobicContact CB-CE1 3.89Å; V1038-Y1044 HydrophobicContact CB-CE2 4.24Å; V1038-Y1044 HydrophobicContact CG1-CD1 3.79Å; V1038-Y1044 HydrophobicContact CG1-CE1 3.36Å; V1038-Y1044 HydrophobicContact CG1-CE2 4.34Å; V1038-Y1044 HydrophobicContact CG1-CG 4.44Å; V1038-Y1044 HydrophobicContact CG2-CE1 4.41Å; V1038-Y1044 HydrophobicContact CG2-CE2 3.92Å; V1038-L1064 HydrophobicContact CG2-CD1 4.08Å; V1038-L1064 HydrophobicContact CG2-CD2 3.35Å; V1038-L1064 HydrophobicContact CG2-CG 4.32Å | ||
| 1039 | S | 75.3 | Confident | 81 | Confident | 90 Ų | 90 | 41 Ų | 41 | 63% | 0.629 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -103.4 | 1.9 | -172 | 58.4 | 0 | 0 | 0 | 0 | 114.7 | S1018 | S1018-S1039 PolarHBondContact OG-N 2.74Š|
| 1040 | K | 66.6 | Low | 81.5 | Confident | 120 Ų | 120 | 37.9 Ų | 37.9 | 52% | 0.522 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -137.9 | 140.9 | 177.1 | -69.9 | -175.8 | 177.3 | 179.5 | 0 | 111.8 | Y1044 | K1040-Y1044 WeakPolarHBondContact O-CE2 3.46Å; K1040-Y1044 PolarHBondContact O-OH 3.44Å |
| 1041 | P | 70.5 | Confident | 82 | Confident | 82 Ų | 82 | 38.3 Ų | 38.3 | 53% | 0.532 | 21% | 0.213 | S | C | . | . | trans | -66.6 | 159.2 | 169.3 | 30.1 | -33.5 | 0 | 0 | 0 | 110.8 | V992 L1064 | V992-P1041 HydrophobicContact CG2-CB 3.7Å; V992-P1041 HydrophobicContact CG2-CG 4.3Å; P1041-L1064 VanDerWaalsContact CB-O 3.31Å; P1041-L1064 WeakPolarHBondContact CB-O 3.4Å | ||
| 1042 | G | 76.2 | Confident | 81.6 | Confident | 30 Ų | 30 | 44.4 Ų | 44.4 | 31% | 0.309 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 136.3 | -169.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1063 L1064 | G1042-R1063 WeakPolarHBondContact O-CA 3.29Å; G1042-L1064 PolarHBondContact O-N 3.1Å |
| 1043 | E | 83 | Confident | 81.4 | Confident | 98 Ų | 98 | 49.7 Ų | 49.7 | 46% | 0.458 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 133.5 | 179 | -75 | 174.2 | -168.7 | 0 | 0 | 112 | P1017 T1061 A1062 R1063 | P1017-E1043 WeakPolarHBondContact CD-O 3.12Å; E1043-T1061 HydrophobicContact CB-CG2 4.26Å; E1043-T1061 HydrophobicContact CG-CG2 4.46Å; E1043-A1062 CarbonylContact C-O 3.59Å; E1043-A1062 VanDerWaalsContact CA-O 3.28Å; E1043-A1062 WeakPolarHBondContact CA-O 3.31Å; E1043-R1063 HydrophobicContact CG-CG 3.57Å; E1043-R1063 IonicContact OE1-CZ 3.08Å; E1043-R1063 IonicContact OE1-NE 2.98Å; E1043-R1063 PolarHBondContact OE1-NE 2.67Å; E1043-R1063 IonicContact OE1-NH2 3.05Å; E1043-R1063 PolarHBondContact OE1-NH2 2.74Å |
| 1044 | Y | 85.5 | Confident | 81.3 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 139.1 | 177.5 | -68.4 | -99 | 0 | 0 | 0 | 110.1 | V1014 E1015 P1017 S1018 V1038 K1040 I1046 T1061 A1062 L1064 | V1014-Y1044 HydrophobicContact CG1-CD1 4.32Å; E1015-Y1044 CarbonylContact O-C 3.49Å; E1015-Y1044 VanDerWaalsContact O-CA 3.25Å; E1015-Y1044 WeakPolarHBondContact O-CA 3.46Å; P1017-Y1044 HydrophobicContact CG-CE1 4.32Å; P1017-Y1044 HydrophobicContact CG-CE2 3.86Å; S1018-Y1044 PolarHBondContact N-OH 3.41Å; S1018-Y1044 WeakPolarHBondContact O-CE1 3.12Å; S1018-Y1044 PolarHBondContact OG-OH 2.74Å; V1038-Y1044 HydrophobicContact CB-CE1 3.89Å; V1038-Y1044 HydrophobicContact CB-CE2 4.24Å; V1038-Y1044 HydrophobicContact CG1-CD1 3.79Å; V1038-Y1044 HydrophobicContact CG1-CE1 3.36Å; V1038-Y1044 HydrophobicContact CG1-CE2 4.34Å; V1038-Y1044 HydrophobicContact CG1-CG 4.44Å; V1038-Y1044 HydrophobicContact CG2-CE1 4.41Å; V1038-Y1044 HydrophobicContact CG2-CE2 3.92Å; K1040-Y1044 WeakPolarHBondContact O-CE2 3.46Å; K1040-Y1044 PolarHBondContact O-OH 3.44Å; Y1044-I1046 WeakPolarHBondContact O-CD1 3.46Å; Y1044-T1061 CarbonylContact O-C 3.59Å; Y1044-T1061 VanDerWaalsContact O-CA 3.26Å; Y1044-T1061 WeakPolarHBondContact O-CA 3.26Å; Y1044-A1062 PolarHBondContact N-O 2.83Å; Y1044-A1062 PolarHBondContact O-N 2.81Å; Y1044-L1064 HydrophobicContact CD2-CD1 3.5Å; Y1044-L1064 VanDerWaalsContact CD2-CD1 3.5Å; Y1044-L1064 HydrophobicContact CE2-CD1 3.84Å; Y1044-L1064 HydrophobicContact CG-CD1 4.46Å |
| 1045 | K | 90.8 | Very high | 81.3 | Confident | 84 Ų | 84 | 54.7 Ų | 54.7 | 37% | 0.365 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 129.2 | -179.8 | 174.3 | -173.9 | 159.3 | -139.2 | 0 | 109.9 | V1014 E1015 P1059 F1060 | V1014-K1045 CarbonylContact C-O 3.59Å; V1014-K1045 VanDerWaalsContact CA-O 3.32Å; V1014-K1045 WeakPolarHBondContact CA-O 3.41Å; E1015-K1045 PolarHBondContact N-O 3.23Å; E1015-K1045 PolarHBondContact O-N 3.29Å; E1015-K1045 IonicContact OE2-NZ 2.71Å; E1015-K1045 PolarHBondContact OE2-NZ 3.07Å; K1045-P1059 HydrophobicContact CG-CB 4.12Å; K1045-F1060 CarbonylContact C-O 3.52Å; K1045-F1060 VanDerWaalsContact CA-O 3.28Å; K1045-F1060 WeakPolarHBondContact CA-O 3.45Å |
| 1046 | I | 91.2 | Very high | 80.9 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124.4 | -175.2 | -55.4 | 93.5 | 0 | 0 | 0 | 109.5 | L987 F998 S1013 V1014 Y1036 Y1044 V1048 P1059 F1060 A1062 | L987-I1046 HydrophobicContact CD2-CG2 4.49Å; F998-I1046 HydrophobicContact CE1-CG2 3.75Å; F998-I1046 HydrophobicContact CE2-CG2 4.43Å; F998-I1046 HydrophobicContact CZ-CG2 3.59Å; S1013-I1046 CarbonylContact O-C 3.55Å; S1013-I1046 WeakPolarHBondContact O-CA 3.38Å; V1014-I1046 HydrophobicContact CG1-CG1 4.34Å; V1014-I1046 HydrophobicContact CG2-CB 4.46Å; V1014-I1046 HydrophobicContact CG2-CG1 4Å; V1014-I1046 HydrophobicContact CG2-CG2 4.17Å; Y1036-I1046 HydrophobicContact CE1-CG1 4.23Å; Y1044-I1046 WeakPolarHBondContact O-CD1 3.46Å; I1046-V1048 HydrophobicContact CG2-CG2 4.5Å; I1046-P1059 CarbonylContact O-C 3.56Å; I1046-P1059 WeakPolarHBondContact O-CA 3.35Å; I1046-P1059 WeakPolarHBondContact O-CB 3.39Å; I1046-F1060 HydrophobicContact CB-CB 4.46Å; I1046-F1060 PolarHBondContact N-O 3.3Å; I1046-F1060 PolarHBondContact O-N 2.89Å; I1046-A1062 HydrophobicContact CD1-CB 3.82Å |
| 1047 | S | 87.9 | Confident | 80.4 | Confident | 15 Ų | 15 | 58.5 Ų | 58.5 | 11% | 0.105 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 139.9 | 177.8 | -49 | 0 | 0 | 0 | 0 | 111 | I1012 S1013 | I1012-S1047 WeakPolarHBondContact CA-O 3.44Å; S1013-S1047 PolarHBondContact N-O 3.39Å; S1013-S1047 PolarHBondContact O-N 2.81Å; S1013-S1047 WeakPolarHBondContact OG-CB 3.31Å |
| 1048 | V | 90.3 | Very high | 80.4 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 137.7 | 177.2 | -173.2 | 0 | 0 | 0 | 0 | 110.2 | F998 V1000 L1010 G1011 I1012 I1046 H1054 I1055 S1058 F1060 | F998-V1048 HydrophobicContact CE2-CG2 4Å; F998-V1048 HydrophobicContact CZ-CG2 4.44Å; V1000-V1048 HydrophobicContact CG1-CG1 4.47Å; V1000-V1048 HydrophobicContact CG2-CG1 3.89Å; L1010-V1048 HydrophobicContact CD1-CG1 4.2Å; G1011-V1048 CarbonylContact O-C 3.57Å; G1011-V1048 WeakPolarHBondContact O-CA 3.38Å; I1012-V1048 HydrophobicContact CG1-CG1 4.34Å; I1012-V1048 HydrophobicContact CG1-CG2 4.43Å; I1046-V1048 HydrophobicContact CG2-CG2 4.5Å; V1048-H1054 PolarHBondContact O-ND1 2.98Å; V1048-I1055 HydrophobicContact CB-CD1 3.81Å; V1048-I1055 HydrophobicContact CB-CG1 3.91Å; V1048-I1055 HydrophobicContact CG1-CD1 3.48Å; V1048-I1055 VanDerWaalsContact CG1-CD1 3.48Å; V1048-I1055 HydrophobicContact CG1-CG1 3.9Å; V1048-S1058 PolarHBondContact N-OG 3.49Å; V1048-S1058 WeakPolarHBondContact O-CB 3.35Å; V1048-S1058 PolarHBondContact O-OG 3.29Å; V1048-S1058 VanDerWaalsContact O-OG 3.06Å; V1048-F1060 HydrophobicContact CG2-CE2 4.35Å |
| 1049 | L | 83.2 | Confident | 80.3 | Confident | 58 Ų | 58 | 57.9 Ų | 57.9 | 30% | 0.304 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 139 | -174.4 | -67.3 | 159.1 | 0 | 0 | 0 | 109.9 | L1010 G1011 Q1053 H1054 | L1010-L1049 CarbonylContact C-O 3.57Å; L1010-L1049 WeakPolarHBondContact CA-O 3.47Å; L1010-L1049 VanDerWaalsContact CD1-O 3.26Å; L1010-L1049 WeakPolarHBondContact CD1-O 3.37Å; G1011-L1049 PolarHBondContact N-O 2.82Å; G1011-L1049 PolarHBondContact O-N 3.14Å; L1049-Q1053 CarbonylContact C-O 3.22Å; L1049-Q1053 VanDerWaalsContact CA-O 3.26Å; L1049-Q1053 WeakPolarHBondContact CA-O 3.42Å; L1049-H1054 HydrophobicContact CD2-CB 4.49Å; L1049-H1054 WeakPolarHBondContact CD2-ND1 3.46Å |
| 1050 | F | 78.4 | Confident | 81 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 132.9 | 169.1 | -174 | -96.6 | 0 | 0 | 0 | 110.4 | P977 C980 T1002 A1005 G1008 N1009 L1010 D1052 Q1053 I1055 | P977-F1050 HydrophobicContact CB-CD1 3.99Å; P977-F1050 HydrophobicContact CG-CD1 4.12Å; C980-F1050 VanDerWaalsContact SG-CD1 3.56Å; C980-F1050 VanDerWaalsContact SG-CG 3.5Å; T1002-F1050 HydrophobicContact CG2-CD2 3.98Å; T1002-F1050 HydrophobicContact CG2-CE2 3.81Å; A1005-F1050 HydrophobicContact CB-CE1 4.11Å; A1005-F1050 HydrophobicContact CB-CZ 4.4Å; G1008-F1050 WeakPolarHBondContact O-CE2 3.49Å; N1009-F1050 CarbonylContact O-C 3.43Å; N1009-F1050 VanDerWaalsContact O-CA 3.27Å; N1009-F1050 WeakPolarHBondContact O-CA 3.22Å; L1010-F1050 HydrophobicContact CB-CD2 4.45Å; L1010-F1050 HydrophobicContact CD1-CB 4.22Å; L1010-F1050 HydrophobicContact CD1-CD2 3.99Å; F1050-D1052 PolarHBondContact O-N 3Å; F1050-Q1053 PolarHBondContact N-O 3.19Å; F1050-Q1053 PolarHBondContact O-N 3.24Å; F1050-I1055 HydrophobicContact CB-CG2 3.67Å |
| 1051 | A | 77.5 | Confident | 81.9 | Confident | 38 Ų | 38 | 53.7 Ų | 53.7 | 31% | 0.314 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | 47.3 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P977 N1009 Q1053 | P977-A1051 HydrophobicContact CG-CB 4.15Å; N1009-A1051 PolarHBondContact O-N 2.8Å; A1051-Q1053 PolarHBondContact O-N 3.13Å |
| 1052 | D | 70.6 | Confident | 82.4 | Confident | 142 Ų | 142 | 49.8 Ų | 49.8 | 76% | 0.759 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 11.1 | -177.6 | -53.6 | -40.1 | 0 | 0 | 0 | 116.2 | F1050 | F1050-D1052 PolarHBondContact O-N 3Š|
| 1053 | Q | 71.2 | Confident | 82.6 | Confident | 126 Ų | 126 | 55.9 Ų | 55.9 | 59% | 0.589 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 148.7 | 175.3 | -64 | -177.4 | 38 | 0 | 0 | 111.5 | L1049 F1050 A1051 I1055 | L1049-Q1053 CarbonylContact C-O 3.22Å; L1049-Q1053 VanDerWaalsContact CA-O 3.26Å; L1049-Q1053 WeakPolarHBondContact CA-O 3.42Å; F1050-Q1053 PolarHBondContact N-O 3.19Å; F1050-Q1053 PolarHBondContact O-N 3.24Å; A1051-Q1053 PolarHBondContact O-N 3.13Å; Q1053-I1055 PolarHBondContact O-N 2.92Å |
| 1054 | H | 81.2 | Confident | 82.4 | Confident | 105 Ų | 105 | 51.7 Ų | 51.7 | 49% | 0.486 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 131.2 | 175.2 | -81.5 | -52.8 | 0 | 0 | 0 | 111.3 | V1048 L1049 S1058 | V1048-H1054 PolarHBondContact O-ND1 2.98Å; L1049-H1054 HydrophobicContact CD2-CB 4.49Å; L1049-H1054 WeakPolarHBondContact CD2-ND1 3.46Å; H1054-S1058 PolarHBondContact ND1-OG 2.86Å |
| 1055 | I | 84.5 | Confident | 81.5 | Confident | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.015 | 32% | 0.316 | C | S | . | . | trans | -70.4 | 157.8 | 169.7 | 66.3 | 166.6 | 0 | 0 | 0 | 110.4 | C980 V982 V1000 V1048 F1050 Q1053 G1057 S1058 | C980-I1055 HydrophobicContact CB-CB 4.24Å; C980-I1055 HydrophobicContact CB-CG2 3.62Å; V982-I1055 HydrophobicContact CB-CD1 3.74Å; V982-I1055 HydrophobicContact CG1-CD1 3.7Å; V1000-I1055 HydrophobicContact CG1-CD1 4.24Å; V1048-I1055 HydrophobicContact CB-CD1 3.81Å; V1048-I1055 HydrophobicContact CB-CG1 3.91Å; V1048-I1055 HydrophobicContact CG1-CD1 3.48Å; V1048-I1055 VanDerWaalsContact CG1-CD1 3.48Å; V1048-I1055 HydrophobicContact CG1-CG1 3.9Å; F1050-I1055 HydrophobicContact CB-CG2 3.67Å; Q1053-I1055 PolarHBondContact O-N 2.92Å; I1055-G1057 PolarHBondContact O-N 2.87Å; I1055-G1057 VanDerWaalsContact O-N 3.11Å; I1055-S1058 WeakPolarHBondContact O-CB 3.47Å; I1055-S1058 PolarHBondContact O-N 2.88Å | ||
| 1056 | S | 79.1 | Confident | 80 | Confident | 81 Ų | 81 | 60.1 Ų | 60.1 | 57% | 0.566 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | 116 | 179.1 | -60.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1057 | G | 79 | Confident | 78.3 | Confident | 56 Ų | 56 | 64.5 Ų | 64.5 | 58% | 0.577 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.7 | -12.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116 | I1055 P1059 F1060 | I1055-G1057 PolarHBondContact O-N 2.87Å; I1055-G1057 VanDerWaalsContact O-N 3.11Å; G1057-P1059 CarbonylContact O-C 3.58Å; G1057-F1060 VanDerWaalsContact C-CE1 3.48Å; G1057-F1060 VanDerWaalsContact O-CE1 3.31Å; G1057-F1060 WeakPolarHBondContact O-CE1 3.47Å; G1057-F1060 WeakPolarHBondContact O-CZ 3.32Å |
| 1058 | S | 84.1 | Confident | 77.1 | Confident | 17 Ų | 17 | 69 Ų | 69 | 12% | 0.119 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 138.2 | 174.8 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | V1048 H1054 I1055 | V1048-S1058 PolarHBondContact N-OG 3.49Å; V1048-S1058 WeakPolarHBondContact O-CB 3.35Å; V1048-S1058 PolarHBondContact O-OG 3.29Å; V1048-S1058 VanDerWaalsContact O-OG 3.06Å; H1054-S1058 PolarHBondContact ND1-OG 2.86Å; I1055-S1058 WeakPolarHBondContact O-CB 3.47Å; I1055-S1058 PolarHBondContact O-N 2.88Å |
| 1059 | P | 81.3 | Confident | 76.2 | Confident | 63 Ų | 63 | 72.4 Ų | 72.4 | 41% | 0.409 | 40% | 0.401 | S | S | . | . | S | Bend | cis | -87.6 | 151 | -0.7 | 34.6 | -35.2 | 0 | 0 | 0 | 114.5 | K1045 I1046 G1057 | K1045-P1059 HydrophobicContact CG-CB 4.12Å; I1046-P1059 CarbonylContact O-C 3.56Å; I1046-P1059 WeakPolarHBondContact O-CA 3.35Å; I1046-P1059 WeakPolarHBondContact O-CB 3.39Å; G1057-P1059 CarbonylContact O-C 3.58Å |
| 1060 | F | 89.8 | Confident | 76 | Confident | 40 Ų | 40 | 70.3 Ų | 70.3 | 18% | 0.175 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 169.9 | -179.3 | -50.6 | -88.4 | 0 | 0 | 0 | 111.9 | V982 L987 K1045 I1046 V1048 G1057 | V982-F1060 HydrophobicContact CG1-CE1 3.99Å; V982-F1060 HydrophobicContact CG1-CE2 3.54Å; V982-F1060 HydrophobicContact CG1-CZ 3.21Å; L987-F1060 HydrophobicContact CB-CB 4.35Å; L987-F1060 HydrophobicContact CB-CG 4.49Å; L987-F1060 HydrophobicContact CD2-CB 4.32Å; L987-F1060 HydrophobicContact CD2-CD2 3.92Å; L987-F1060 HydrophobicContact CD2-CE2 4.46Å; L987-F1060 HydrophobicContact CD2-CG 4.04Å; K1045-F1060 CarbonylContact C-O 3.52Å; K1045-F1060 VanDerWaalsContact CA-O 3.28Å; K1045-F1060 WeakPolarHBondContact CA-O 3.45Å; I1046-F1060 HydrophobicContact CB-CB 4.46Å; I1046-F1060 PolarHBondContact N-O 3.3Å; I1046-F1060 PolarHBondContact O-N 2.89Å; V1048-F1060 HydrophobicContact CG2-CE2 4.35Å; G1057-F1060 VanDerWaalsContact C-CE1 3.48Å; G1057-F1060 VanDerWaalsContact O-CE1 3.31Å; G1057-F1060 WeakPolarHBondContact O-CE1 3.47Å; G1057-F1060 WeakPolarHBondContact O-CZ 3.32Å |
| 1061 | T | 84.2 | Confident | 76.1 | Confident | 82 Ų | 82 | 73.4 Ų | 73.4 | 50% | 0.503 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 128.5 | -178.7 | -54.7 | 0 | 0 | 0 | 0 | 112.3 | L987 E1043 Y1044 | L987-T1061 CarbonylContact O-C 3.52Å; L987-T1061 VanDerWaalsContact O-O 3.07Å; E1043-T1061 HydrophobicContact CB-CG2 4.26Å; E1043-T1061 HydrophobicContact CG-CG2 4.46Å; Y1044-T1061 CarbonylContact O-C 3.59Å; Y1044-T1061 VanDerWaalsContact O-CA 3.26Å; Y1044-T1061 WeakPolarHBondContact O-CA 3.26Å |
| 1062 | A | 81.2 | Confident | 76.3 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 144.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115 | G986 T988 Y1036 E1043 Y1044 I1046 | G986-A1062 WeakPolarHBondContact O-CB 3.26Å; T988-A1062 VanDerWaalsContact C-CA 3.45Å; T988-A1062 CarbonylContact O-C 3.59Å; T988-A1062 VanDerWaalsContact O-CA 3.25Å; T988-A1062 WeakPolarHBondContact O-CA 3.48Å; Y1036-A1062 WeakPolarHBondContact OH-CB 3.48Å; E1043-A1062 CarbonylContact C-O 3.59Å; E1043-A1062 VanDerWaalsContact CA-O 3.28Å; E1043-A1062 WeakPolarHBondContact CA-O 3.31Å; Y1044-A1062 PolarHBondContact N-O 2.83Å; Y1044-A1062 PolarHBondContact O-N 2.81Å; I1046-A1062 HydrophobicContact CD1-CB 3.82Å |
| 1063 | R | 81.4 | Confident | 77.2 | Confident | 158 Ų | 158 | 68.5 Ų | 68.5 | 60% | 0.596 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 146.5 | 176.9 | -78.7 | -174.4 | 171.6 | -166.3 | -1.4 | 113.6 | T988 E989 G990 G1042 E1043 | T988-R1063 PolarHBondContact O-N 3.25Å; E989-R1063 CarbonylContact C-O 3.56Å; E989-R1063 WeakPolarHBondContact CA-O 3.28Å; G990-R1063 PolarHBondContact N-O 2.84Å; G1042-R1063 WeakPolarHBondContact O-CA 3.29Å; E1043-R1063 HydrophobicContact CG-CG 3.57Å; E1043-R1063 IonicContact OE1-CZ 3.08Å; E1043-R1063 IonicContact OE1-NE 2.98Å; E1043-R1063 PolarHBondContact OE1-NE 2.67Å; E1043-R1063 IonicContact OE1-NH2 3.05Å; E1043-R1063 PolarHBondContact OE1-NH2 2.74Å |
| 1064 | L | 77.1 | Confident | 78.1 | Confident | 9 Ų | 9 | 65.4 Ų | 65.4 | 5% | 0.047 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 141.1 | -178.7 | -66.1 | 92.1 | 0 | 0 | 0 | 116.1 | G990 V992 C996 V1038 P1041 G1042 Y1044 | G990-L1064 VanDerWaalsContact O-CA 3.27Å; G990-L1064 WeakPolarHBondContact O-CA 3.35Å; V992-L1064 HydrophobicContact CG2-CB 4.01Å; C996-L1064 WeakPolarHBondContact SG-CD2 3.29Å; V1038-L1064 HydrophobicContact CG2-CD1 4.08Å; V1038-L1064 HydrophobicContact CG2-CD2 3.35Å; V1038-L1064 HydrophobicContact CG2-CG 4.32Å; P1041-L1064 VanDerWaalsContact CB-O 3.31Å; P1041-L1064 WeakPolarHBondContact CB-O 3.4Å; G1042-L1064 PolarHBondContact O-N 3.1Å; Y1044-L1064 HydrophobicContact CD2-CD1 3.5Å; Y1044-L1064 VanDerWaalsContact CD2-CD1 3.5Å; Y1044-L1064 HydrophobicContact CE2-CD1 3.84Å; Y1044-L1064 HydrophobicContact CG-CD1 4.46Å |
| 1065 | E | 67.7 | Low | 78.6 | Confident | 146 Ų | 146 | 61.4 Ų | 61.4 | 68% | 0.682 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.3 | -158.5 | -173.4 | -56.7 | -166.7 | 166.8 | 0 | 0 | 113.9 | G990 I991 V992 | G990-E1065 PolarHBondContact O-N 2.83Å; I991-E1065 WeakPolarHBondContact CA-O 3.38Å; V992-E1065 PolarHBondContact N-O 3.45Å |
| 1066 | T | 59.7 | Low | 78.8 | Confident | 118 Ų | 118 | 67.1 Ų | 67.1 | 72% | 0.724 | 38% | 0.379 | S | S | * | . | trans | -127 | 156.3 | -165.4 | 46.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1067 | P | 54.6 | Low | 79.1 | Confident | 92 Ų | 92 | 64.8 Ų | 64.8 | 60% | 0.597 | 37% | 0.369 | S | S | * | . | trans | -93.3 | 175.1 | -165.8 | 37.5 | -38.9 | 0 | 0 | 0 | 117.7 | I991 | I991-P1067 HydrophobicContact CG2-CB 4.43Š| ||
| 1068 | I | 64.2 | Low | 79.1 | Confident | 110 Ų | 110 | 65.1 Ų | 65.1 | 56% | 0.564 | 36% | 0.361 | S | S | * | . | trans | -81.7 | 139.8 | 174.5 | -62.4 | 164.2 | 0 | 0 | 0 | 111.2 | ||||
| 1069 | D | 71.1 | Confident | 79.1 | Confident | 70 Ų | 70 | 64.3 Ų | 64.3 | 37% | 0.374 | 36% | 0.355 | S | S | . | . | trans | -151.9 | 110.1 | 177.7 | -173.5 | -9 | 0 | 0 | 0 | 113 | S1071 L1072 S1100 | D1069-S1071 PolarHBondContact O-N 2.8Å; D1069-S1071 VanDerWaalsContact OD1-CB 3.3Å; D1069-S1071 WeakPolarHBondContact OD1-CB 3.2Å; D1069-S1071 PolarHBondContact OD1-N 2.92Å; D1069-S1071 PolarHBondContact OD1-OG 2.76Å; D1069-S1071 PolarHBondContact OD2-OG 2.84Å; D1069-S1071 VanDerWaalsContact OD2-OG 3.05Å; D1069-L1072 HydrophobicContact CB-CD1 3.99Å; D1069-L1072 HydrophobicContact CB-CG 4.05Å; D1069-L1072 WeakPolarHBondContact O-CB 3.29Å; D1069-L1072 PolarHBondContact O-N 3.07Å; D1069-S1100 PolarHBondContact N-OG 3.21Å; D1069-S1100 VanDerWaalsContact N-OG 3.14Å; D1069-S1100 VanDerWaalsContact O-CB 3.29Å; D1069-S1100 WeakPolarHBondContact O-CB 3.47Å; D1069-S1100 PolarHBondContact O-OG 3.24Å | ||
| 1070 | A | 78.8 | Confident | 79.5 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 12% | 0.124 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -65.7 | -18 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1072 V1073 K1152 | A1070-L1072 PolarHBondContact O-N 2.71Å; A1070-V1073 WeakPolarHBondContact O-CB 3.28Å; A1070-V1073 WeakPolarHBondContact O-CG2 3.4Å; A1070-V1073 PolarHBondContact O-N 2.88Å; A1070-K1152 HydrophobicContact CB-CB 4.3Å |
| 1071 | S | 79.8 | Confident | 79 | Confident | 70 Ų | 70 | 63.2 Ų | 63.2 | 49% | 0.49 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -70.1 | -13.2 | 175.5 | 74.4 | 0 | 0 | 0 | 0 | 113.4 | D1069 P1155 | D1069-S1071 PolarHBondContact O-N 2.8Å; D1069-S1071 VanDerWaalsContact OD1-CB 3.3Å; D1069-S1071 WeakPolarHBondContact OD1-CB 3.2Å; D1069-S1071 PolarHBondContact OD1-N 2.92Å; D1069-S1071 PolarHBondContact OD1-OG 2.76Å; D1069-S1071 PolarHBondContact OD2-OG 2.84Å; D1069-S1071 VanDerWaalsContact OD2-OG 3.05Å; S1071-P1155 WeakPolarHBondContact O-CG 3.44Å |
| 1072 | L | 82.9 | Confident | 78.7 | Confident | 78 Ų | 78 | 62.8 Ų | 62.8 | 41% | 0.408 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -87.8 | -5.1 | 175.8 | -54.3 | -179.8 | 0 | 0 | 0 | 113.3 | D1069 A1070 K1099 | D1069-L1072 HydrophobicContact CB-CD1 3.99Å; D1069-L1072 HydrophobicContact CB-CG 4.05Å; D1069-L1072 WeakPolarHBondContact O-CB 3.29Å; D1069-L1072 PolarHBondContact O-N 3.07Å; A1070-L1072 PolarHBondContact O-N 2.71Å; L1072-K1099 HydrophobicContact CB-CB 4.01Å; L1072-K1099 VanDerWaalsContact CD1-O 3.29Å; L1072-K1099 WeakPolarHBondContact CD1-O 3.28Å |
| 1073 | V | 88.7 | Confident | 78.3 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 37% | 0.37 | C | S | . | . | trans | -83.1 | 141.5 | 177.1 | -174.2 | 0 | 0 | 0 | 0 | 109.8 | A1070 V1095 D1096 A1097 Y1149 I1154 P1155 | A1070-V1073 WeakPolarHBondContact O-CB 3.28Å; A1070-V1073 WeakPolarHBondContact O-CG2 3.4Å; A1070-V1073 PolarHBondContact O-N 2.88Å; V1073-V1095 HydrophobicContact CG1-CG1 3.71Å; V1073-D1096 WeakPolarHBondContact CA-O 3.41Å; V1073-A1097 HydrophobicContact CB-CB 4.43Å; V1073-A1097 HydrophobicContact CG1-CB 3.92Å; V1073-A1097 HydrophobicContact CG2-CB 3.83Å; V1073-Y1149 HydrophobicContact CG2-CD1 3.53Å; V1073-Y1149 HydrophobicContact CG2-CE1 4.11Å; V1073-Y1149 HydrophobicContact CG2-CG 3.83Å; V1073-I1154 HydrophobicContact CB-CB 4.38Å; V1073-I1154 HydrophobicContact CB-CG2 3.85Å; V1073-I1154 HydrophobicContact CG1-CB 4.45Å; V1073-I1154 HydrophobicContact CG1-CD1 4.48Å; V1073-I1154 HydrophobicContact CG1-CG2 3.75Å; V1073-P1155 WeakPolarHBondContact O-CD 3.45Å | ||
| 1074 | T | 89.8 | Confident | 78.1 | Confident | 61 Ų | 61 | 63 Ų | 63 | 37% | 0.374 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 142.9 | -179.3 | 60 | 0 | 0 | 0 | 0 | 111.6 | R1076 V1095 D1096 | T1074-R1076 PolarHBondContact OG1-NH1 2.92Å; T1074-V1095 CarbonylContact O-C 3.52Å; T1074-V1095 WeakPolarHBondContact O-CA 3.24Å; T1074-D1096 PolarHBondContact N-O 3.02Å; T1074-D1096 PolarHBondContact O-N 3.2Å |
| 1075 | A | 92.1 | Very high | 78.3 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 17% | 0.174 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 145.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1080 F1093 L1094 V1095 I1154 F1159 | A1075-L1080 HydrophobicContact CB-CD1 3.66Å; A1075-F1093 HydrophobicContact CB-CD2 4.36Å; A1075-L1094 CarbonylContact C-O 3.53Å; A1075-L1094 VanDerWaalsContact CA-O 3.22Å; A1075-L1094 WeakPolarHBondContact CA-O 3.19Å; A1075-V1095 HydrophobicContact CB-CG2 4.04Å; A1075-I1154 HydrophobicContact CB-CD1 3.57Å; A1075-F1159 HydrophobicContact CB-CE2 4.33Å; A1075-F1159 HydrophobicContact CB-CZ 4.14Å |
| 1076 | R | 87.8 | Confident | 78.9 | Confident | 122 Ų | 122 | 56.6 Ų | 56.6 | 46% | 0.46 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 132.1 | -172 | 53.4 | -165.3 | -174.4 | -110.6 | 1.1 | 112.4 | T1074 L1094 D1096 | T1074-R1076 PolarHBondContact OG1-NH1 2.92Å; R1076-L1094 PolarHBondContact N-O 2.9Å; R1076-L1094 PolarHBondContact O-N 3.31Å; R1076-D1096 IonicContact CZ-OD2 2.67Å; R1076-D1096 VanDerWaalsContact CZ-OD2 3.3Å; R1076-D1096 IonicContact NH1-OD2 3.76Å; R1076-D1096 PolarHBondContact NH1-OD2 3.38Å; R1076-D1096 IonicContact NH2-OD2 3.26Å; R1076-D1096 PolarHBondContact NH2-OD2 3.46Å |
| 1077 | G | 85.2 | Confident | 80 | Confident | 33 Ų | 33 | 56.3 Ų | 56.3 | 34% | 0.34 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 155.4 | 169.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | G1079 L1080 | G1077-G1079 PolarHBondContact O-N 3.05Å; G1077-L1080 PolarHBondContact O-N 3.04Å |
| 1078 | P | 80.1 | Confident | 80.8 | Confident | 63 Ų | 63 | 53.7 Ų | 53.7 | 41% | 0.409 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -62.7 | -26.7 | -174.3 | 25.2 | -34.6 | 0 | 0 | 0 | 113.5 | L1080 D1081 H1084 R1092 | P1078-L1080 PolarHBondContact O-N 3.22Å; P1078-L1080 VanDerWaalsContact O-N 3.16Å; P1078-D1081 PolarHBondContact O-N 2.92Å; P1078-D1081 VanDerWaalsContact O-N 3.08Å; P1078-H1084 HydrophobicContact CB-CB 4.46Å; P1078-H1084 WeakPolarHBondContact O-CB 3.13Å; P1078-R1092 VanDerWaalsContact CD-O 3.31Å; P1078-R1092 WeakPolarHBondContact CD-O 3.42Å; P1078-R1092 HydrophobicContact CG-CG 4.26Å |
| 1079 | G | 84.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -70.6 | -0.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | G1077 R1092 Y1134 | G1077-G1079 PolarHBondContact O-N 3.05Å; G1079-R1092 WeakPolarHBondContact CA-O 3.22Å; G1079-R1092 PolarHBondContact N-O 3.12Å; G1079-Y1134 WeakPolarHBondContact O-CE1 3.29Å; G1079-Y1134 PolarHBondContact O-OH 3.15Å |
| 1080 | L | 88.3 | Confident | 81.6 | Confident | 21 Ų | 21 | 52 Ų | 52 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -113.8 | 5.1 | 169.8 | -57.4 | 178.8 | 0 | 0 | 0 | 112.4 | A1075 G1077 P1078 F1093 V1145 F1159 | A1075-L1080 HydrophobicContact CB-CD1 3.66Å; G1077-L1080 PolarHBondContact O-N 3.04Å; P1078-L1080 PolarHBondContact O-N 3.22Å; P1078-L1080 VanDerWaalsContact O-N 3.16Å; L1080-F1093 HydrophobicContact CD1-CB 4.04Å; L1080-F1093 HydrophobicContact CD1-CD2 3.7Å; L1080-F1093 HydrophobicContact CD1-CE2 4.23Å; L1080-F1093 HydrophobicContact CD1-CG 3.87Å; L1080-F1093 HydrophobicContact CD2-CD1 3.73Å; L1080-F1093 HydrophobicContact CD2-CD2 4.15Å; L1080-F1093 HydrophobicContact CD2-CE1 3.78Å; L1080-F1093 HydrophobicContact CD2-CE2 4.18Å; L1080-F1093 HydrophobicContact CD2-CG 3.91Å; L1080-F1093 HydrophobicContact CD2-CZ 4Å; L1080-F1093 HydrophobicContact CG-CB 3.78Å; L1080-F1093 HydrophobicContact CG-CD1 3.88Å; L1080-F1093 HydrophobicContact CG-CD2 3.96Å; L1080-F1093 HydrophobicContact CG-CE1 4.41Å; L1080-F1093 HydrophobicContact CG-CE2 4.48Å; L1080-F1093 HydrophobicContact CG-CG 3.62Å; L1080-V1145 HydrophobicContact CD2-CB 4.27Å; L1080-V1145 HydrophobicContact CD2-CG1 3.96Å; L1080-F1159 HydrophobicContact CB-CD1 4.24Å; L1080-F1159 HydrophobicContact CB-CG 4.44Å; L1080-F1159 HydrophobicContact CD1-CD1 4.25Å; L1080-F1159 HydrophobicContact CD1-CD2 4.27Å; L1080-F1159 HydrophobicContact CD1-CE1 4.07Å; L1080-F1159 HydrophobicContact CD1-CE2 4.11Å; L1080-F1159 HydrophobicContact CD1-CG 4.36Å; L1080-F1159 HydrophobicContact CD1-CZ 4.02Å; L1080-F1159 HydrophobicContact CD2-CB 3.98Å; L1080-F1159 HydrophobicContact CD2-CD1 4.38Å; L1080-F1159 HydrophobicContact CD2-CD2 3.8Å; L1080-F1159 HydrophobicContact CD2-CE2 4.4Å; L1080-F1159 HydrophobicContact CD2-CG 3.81Å; L1080-F1159 HydrophobicContact CG-CG 4.42Å |
| 1081 | D | 80.4 | Confident | 81.9 | Confident | 59 Ų | 59 | 51.8 Ų | 51.8 | 32% | 0.316 | 30% | 0.302 | S | S | . | . | trans | -100.4 | 118.6 | -179.6 | 177.5 | 5.3 | 0 | 0 | 0 | 110.9 | P1078 A1083 H1084 C1085 | P1078-D1081 PolarHBondContact O-N 2.92Å; P1078-D1081 VanDerWaalsContact O-N 3.08Å; D1081-A1083 PolarHBondContact O-N 2.92Å; D1081-A1083 VanDerWaalsContact O-N 3.1Å; D1081-A1083 WeakPolarHBondContact OD1-CB 3.43Å; D1081-A1083 PolarHBondContact OD1-N 3.49Å; D1081-H1084 PolarHBondContact O-N 3Å; D1081-H1084 IonicContact OD2-CE1 2.84Å; D1081-H1084 PolarHBondContact OD2-CE1 3.05Å; D1081-H1084 VanDerWaalsContact OD2-CE1 3.27Å; D1081-H1084 IonicContact OD2-ND1 3.92Å; D1081-H1084 PolarHBondContact OD2-ND1 3.03Å; D1081-C1085 PolarHBondContact O-N 3.09Å | ||
| 1082 | P | 78 | Confident | 82.4 | Confident | 72 Ų | 72 | 55 Ų | 55 | 47% | 0.468 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -26.6 | 175.6 | -25.9 | 34.5 | 0 | 0 | 0 | 115 | H1084 C1085 M1161 | P1082-H1084 PolarHBondContact O-N 2.96Å; P1082-C1085 PolarHBondContact O-N 3.09Å; P1082-M1161 HydrophobicContact CB-CB 4.05Å; P1082-M1161 HydrophobicContact CG-CB 3.96Å |
| 1083 | A | 72.4 | Confident | 83 | Confident | 63 Ų | 63 | 51.5 Ų | 51.5 | 52% | 0.521 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -21.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1081 M1164 | D1081-A1083 PolarHBondContact O-N 2.92Å; D1081-A1083 VanDerWaalsContact O-N 3.1Å; D1081-A1083 WeakPolarHBondContact OD1-CB 3.43Å; D1081-A1083 PolarHBondContact OD1-N 3.49Å; A1083-M1164 WeakPolarHBondContact O-CE 3.41Å |
| 1084 | H | 77.4 | Confident | 83.2 | Confident | 99 Ų | 99 | 54.6 Ų | 54.6 | 46% | 0.458 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -14.3 | -178.8 | -70.5 | 86 | 0 | 0 | 0 | 113.2 | P1078 D1081 P1082 R1086 L1091 | P1078-H1084 HydrophobicContact CB-CB 4.46Å; P1078-H1084 WeakPolarHBondContact O-CB 3.13Å; D1081-H1084 PolarHBondContact O-N 3Å; D1081-H1084 IonicContact OD2-CE1 2.84Å; D1081-H1084 PolarHBondContact OD2-CE1 3.05Å; D1081-H1084 VanDerWaalsContact OD2-CE1 3.27Å; D1081-H1084 IonicContact OD2-ND1 3.92Å; D1081-H1084 PolarHBondContact OD2-ND1 3.03Å; P1082-H1084 PolarHBondContact O-N 2.96Å; H1084-R1086 PolarHBondContact O-N 3Å; H1084-L1091 HydrophobicContact CB-CD2 4.27Å |
| 1085 | C | 80.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -72.4 | 96.3 | -175.7 | -162.7 | 0 | 0 | 0 | 0 | 112.4 | D1081 P1082 L1091 M1161 M1164 | D1081-C1085 PolarHBondContact O-N 3.09Å; P1082-C1085 PolarHBondContact O-N 3.09Å; C1085-L1091 HydrophobicContact CB-CD1 4.47Å; C1085-M1161 HydrophobicContact CB-CB 4.35Å; C1085-M1161 HydrophobicContact CB-CG 3.86Å; C1085-M1161 HydrophobicContact CB-SD 3.64Å; C1085-M1161 VanDerWaalsContact SG-SD 3.62Å; C1085-M1164 PolarHBondContact O-N 2.9Å | ||
| 1086 | R | 80.7 | Confident | 83.2 | Confident | 22 Ų | 22 | 51.9 Ų | 51.9 | 8% | 0.083 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -127.9 | 135.8 | 179.1 | -74.7 | -176.6 | -176.1 | -83.5 | 3.4 | 111.8 | H1084 G1088 I1089 A1136 M1164 P1165 E1168 | H1084-R1086 PolarHBondContact O-N 3Å; R1086-G1088 PolarHBondContact O-N 2.8Å; R1086-I1089 HydrophobicContact CB-CD1 3.83Å; R1086-I1089 HydrophobicContact CB-CG1 4.17Å; R1086-I1089 WeakPolarHBondContact O-CB 3.47Å; R1086-I1089 PolarHBondContact O-N 3.49Å; R1086-I1089 VanDerWaalsContact O-N 3.15Å; R1086-A1136 WeakPolarHBondContact O-CB 3.4Å; R1086-M1164 WeakPolarHBondContact CA-O 3.29Å; R1086-M1164 HydrophobicContact CG-CB 3.9Å; R1086-M1164 HydrophobicContact CG-CE 4.29Å; R1086-P1165 WeakPolarHBondContact CG-O 3.46Å; R1086-P1165 PolarHBondContact NH1-O 3.45Å; R1086-E1168 IonicContact CZ-OE2 3.95Å; R1086-E1168 VanDerWaalsContact CZ-OE2 3.29Å; R1086-E1168 IonicContact NH1-OE2 3.42Å; R1086-E1168 PolarHBondContact NH1-OE2 2.96Å; R1086-E1168 IonicContact NH2-OE2 3.8Å; R1086-E1168 PolarHBondContact NH2-OE2 2.69Å |
| 1087 | Y | 81.7 | Confident | 83.1 | Confident | 112 Ų | 112 | 46.1 Ų | 46.1 | 44% | 0.439 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 129.8 | -175.1 | 170.8 | -126.6 | 0 | 0 | 0 | 113 | I1089 P1137 L1138 A1139 V1163 M1164 | Y1087-I1089 PolarHBondContact O-N 3.3Å; Y1087-P1137 VanDerWaalsContact CD2-O 3.3Å; Y1087-P1137 WeakPolarHBondContact CD2-O 3.47Å; Y1087-L1138 HydrophobicContact CE2-CD1 4.02Å; Y1087-A1139 HydrophobicContact CD1-CB 4.3Å; Y1087-A1139 HydrophobicContact CG-CB 4.13Å; Y1087-V1163 VanDerWaalsContact N-CG1 3.3Å; Y1087-M1164 PolarHBondContact N-O 3.22Å |
| 1088 | G | 71.2 | Confident | 82.7 | Confident | 37 Ų | 37 | 47.9 Ų | 47.9 | 38% | 0.381 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | -14.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | R1086 Q1135 A1136 | R1086-G1088 PolarHBondContact O-N 2.8Å; G1088-Q1135 PolarHBondContact O-NE2 2.95Å; G1088-A1136 PolarHBondContact N-O 2.74Å |
| 1089 | I | 74 | Confident | 82.3 | Confident | 56 Ų | 56 | 52.7 Ų | 52.7 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | trans | -80.1 | 133.2 | -179.2 | -54.2 | -167.7 | 0 | 0 | 0 | 110.2 | R1086 Y1087 | R1086-I1089 HydrophobicContact CB-CD1 3.83Å; R1086-I1089 HydrophobicContact CB-CG1 4.17Å; R1086-I1089 WeakPolarHBondContact O-CB 3.47Å; R1086-I1089 PolarHBondContact O-N 3.49Å; R1086-I1089 VanDerWaalsContact O-N 3.15Å; Y1087-I1089 PolarHBondContact O-N 3.3Å | ||
| 1090 | P | 78.5 | Confident | 81.6 | Confident | 88 Ų | 88 | 53.4 Ų | 53.4 | 57% | 0.571 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 134.4 | 172.1 | -20.9 | 33.7 | 0 | 0 | 0 | 112.8 | Y1134 Q1135 | P1090-Y1134 CarbonylContact C-O 3.55Å; P1090-Y1134 WeakPolarHBondContact CA-O 3.49Å; P1090-Q1135 HydrophobicContact CB-CG 4.44Å; P1090-Q1135 HydrophobicContact CG-CG 4.29Å |
| 1091 | L | 85.9 | Confident | 80.3 | Confident | 10 Ų | 10 | 53.4 Ų | 53.4 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 145 | -176.2 | -70.3 | 173.7 | 0 | 0 | 0 | 110.2 | H1084 C1085 V1133 Y1134 A1136 | H1084-L1091 HydrophobicContact CB-CD2 4.27Å; C1085-L1091 HydrophobicContact CB-CD1 4.47Å; L1091-V1133 WeakPolarHBondContact O-CA 3.33Å; L1091-Y1134 HydrophobicContact CB-CD1 4.04Å; L1091-Y1134 HydrophobicContact CB-CE1 3.68Å; L1091-Y1134 HydrophobicContact CB-CE2 4.35Å; L1091-Y1134 HydrophobicContact CD1-CE1 4.32Å; L1091-Y1134 HydrophobicContact CD1-CE2 3.82Å; L1091-Y1134 WeakPolarHBondContact CD1-OH 3.34Å; L1091-Y1134 PolarHBondContact N-O 2.93Å; L1091-Y1134 PolarHBondContact O-N 2.94Å; L1091-A1136 HydrophobicContact CD1-CB 4.01Å |
| 1092 | R | 90.1 | Very high | 79.5 | Confident | 139 Ų | 139 | 56 Ų | 56 | 53% | 0.525 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 147.5 | -178.7 | 72.1 | 174.2 | 73.8 | -144.5 | 7.7 | 114.3 | P1078 G1079 E1131 V1132 V1133 | P1078-R1092 VanDerWaalsContact CD-O 3.31Å; P1078-R1092 WeakPolarHBondContact CD-O 3.42Å; P1078-R1092 HydrophobicContact CG-CG 4.26Å; G1079-R1092 WeakPolarHBondContact CA-O 3.22Å; G1079-R1092 PolarHBondContact N-O 3.12Å; R1092-E1131 WeakPolarHBondContact CD-OE1 3.5Å; R1092-E1131 IonicContact CZ-OE1 3.38Å; R1092-E1131 IonicContact NH1-OE1 3.12Å; R1092-E1131 PolarHBondContact NH1-OE1 3.39Å; R1092-V1132 CarbonylContact C-O 3.33Å; R1092-V1132 WeakPolarHBondContact CA-O 3.28Å; R1092-V1133 HydrophobicContact CB-CG2 4.17Å |
| 1093 | F | 94.4 | Very high | 79.1 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 166.9 | 172.1 | 64.2 | -89.1 | 0 | 0 | 0 | 112.9 | A1075 L1080 V1095 V1107 E1131 V1132 Y1134 V1145 V1147 | A1075-F1093 HydrophobicContact CB-CD2 4.36Å; L1080-F1093 HydrophobicContact CD1-CB 4.04Å; L1080-F1093 HydrophobicContact CD1-CD2 3.7Å; L1080-F1093 HydrophobicContact CD1-CE2 4.23Å; L1080-F1093 HydrophobicContact CD1-CG 3.87Å; L1080-F1093 HydrophobicContact CD2-CD1 3.73Å; L1080-F1093 HydrophobicContact CD2-CD2 4.15Å; L1080-F1093 HydrophobicContact CD2-CE1 3.78Å; L1080-F1093 HydrophobicContact CD2-CE2 4.18Å; L1080-F1093 HydrophobicContact CD2-CG 3.91Å; L1080-F1093 HydrophobicContact CD2-CZ 4Å; L1080-F1093 HydrophobicContact CG-CB 3.78Å; L1080-F1093 HydrophobicContact CG-CD1 3.88Å; L1080-F1093 HydrophobicContact CG-CD2 3.96Å; L1080-F1093 HydrophobicContact CG-CE1 4.41Å; L1080-F1093 HydrophobicContact CG-CE2 4.48Å; L1080-F1093 HydrophobicContact CG-CG 3.62Å; F1093-V1095 HydrophobicContact CD2-CG2 3.94Å; F1093-V1095 HydrophobicContact CE2-CG2 3.61Å; F1093-V1107 HydrophobicContact CZ-CG1 4.11Å; F1093-V1107 HydrophobicContact CZ-CG2 4.49Å; F1093-E1131 CarbonylContact O-C 3.5Å; F1093-E1131 WeakPolarHBondContact O-CA 3.27Å; F1093-V1132 HydrophobicContact CD1-CB 4.14Å; F1093-V1132 HydrophobicContact CD1-CG1 4.41Å; F1093-V1132 HydrophobicContact CD2-CB 4.21Å; F1093-V1132 HydrophobicContact CD2-CG2 4.32Å; F1093-V1132 HydrophobicContact CE1-CB 3.82Å; F1093-V1132 HydrophobicContact CE1-CG1 3.68Å; F1093-V1132 HydrophobicContact CE2-CB 3.91Å; F1093-V1132 HydrophobicContact CE2-CG1 4.32Å; F1093-V1132 HydrophobicContact CE2-CG2 3.84Å; F1093-V1132 HydrophobicContact CG-CB 4.34Å; F1093-V1132 HydrophobicContact CZ-CB 3.7Å; F1093-V1132 HydrophobicContact CZ-CG1 3.64Å; F1093-V1132 HydrophobicContact CZ-CG2 4Å; F1093-V1132 PolarHBondContact N-O 2.94Å; F1093-V1132 PolarHBondContact O-N 3.39Å; F1093-Y1134 HydrophobicContact CD1-CE1 4.28Å; F1093-Y1134 HydrophobicContact CE1-CD1 4.3Å; F1093-Y1134 HydrophobicContact CE1-CE1 4.13Å; F1093-V1145 HydrophobicContact CE1-CG1 3.91Å; F1093-V1145 HydrophobicContact CZ-CG1 3.89Å; F1093-V1147 HydrophobicContact CE2-CG2 3.88Å; F1093-V1147 HydrophobicContact CZ-CG2 3.87Å |
| 1094 | L | 92.8 | Very high | 79.4 | Confident | 64 Ų | 64 | 57.9 Ų | 57.9 | 34% | 0.335 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 147.4 | 175.2 | -65.3 | 171.1 | 0 | 0 | 0 | 111.1 | A1075 R1076 Y1130 E1131 | A1075-L1094 CarbonylContact C-O 3.53Å; A1075-L1094 VanDerWaalsContact CA-O 3.22Å; A1075-L1094 WeakPolarHBondContact CA-O 3.19Å; R1076-L1094 PolarHBondContact N-O 2.9Å; R1076-L1094 PolarHBondContact O-N 3.31Å; L1094-Y1130 CarbonylContact C-O 3.59Å; L1094-Y1130 WeakPolarHBondContact CA-O 3.38Å; L1094-Y1130 WeakPolarHBondContact CD2-O 3.41Å; L1094-E1131 HydrophobicContact CD2-CB 3.84Å; L1094-E1131 HydrophobicContact CD2-CG 4.23Å |
| 1095 | V | 94.7 | Very high | 79.9 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 129.6 | 169.1 | -171.6 | 0 | 0 | 0 | 0 | 109 | V1073 T1074 A1075 F1093 L1105 L1129 Y1130 V1132 V1147 I1154 | V1073-V1095 HydrophobicContact CG1-CG1 3.71Å; T1074-V1095 CarbonylContact O-C 3.52Å; T1074-V1095 WeakPolarHBondContact O-CA 3.24Å; A1075-V1095 HydrophobicContact CB-CG2 4.04Å; F1093-V1095 HydrophobicContact CD2-CG2 3.94Å; F1093-V1095 HydrophobicContact CE2-CG2 3.61Å; V1095-L1105 HydrophobicContact CB-CD2 3.96Å; V1095-L1105 HydrophobicContact CG1-CD1 3.95Å; V1095-L1105 HydrophobicContact CG1-CD2 4.2Å; V1095-L1105 HydrophobicContact CG2-CD2 4.15Å; V1095-L1129 CarbonylContact O-C 3.57Å; V1095-L1129 WeakPolarHBondContact O-CA 3.5Å; V1095-Y1130 PolarHBondContact N-O 2.83Å; V1095-Y1130 PolarHBondContact O-N 2.86Å; V1095-V1132 HydrophobicContact CG2-CG2 4.16Å; V1095-V1147 HydrophobicContact CG1-CG1 4.27Å; V1095-V1147 HydrophobicContact CG2-CG1 3.94Å; V1095-I1154 HydrophobicContact CG1-CD1 4.47Å |
| 1096 | D | 88.3 | Confident | 80.1 | Confident | 25 Ų | 25 | 57 Ų | 57 | 13% | 0.134 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 104.6 | -173.7 | 174.4 | 6 | 0 | 0 | 0 | 109.1 | V1073 T1074 R1076 S1098 L1129 | V1073-D1096 WeakPolarHBondContact CA-O 3.41Å; T1074-D1096 PolarHBondContact N-O 3.02Å; T1074-D1096 PolarHBondContact O-N 3.2Å; R1076-D1096 IonicContact CZ-OD2 2.67Å; R1076-D1096 VanDerWaalsContact CZ-OD2 3.3Å; R1076-D1096 IonicContact NH1-OD2 3.76Å; R1076-D1096 PolarHBondContact NH1-OD2 3.38Å; R1076-D1096 IonicContact NH2-OD2 3.26Å; R1076-D1096 PolarHBondContact NH2-OD2 3.46Å; D1096-S1098 WeakPolarHBondContact OD1-CB 3.48Å; D1096-S1098 PolarHBondContact OD1-N 3.07Å; D1096-S1098 PolarHBondContact OD1-OG 3.28Å; D1096-L1129 HydrophobicContact CB-CD1 3.83Å |
| 1097 | A | 85.2 | Confident | 80.7 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.008 | 31% | 0.308 | C | S | . | . | trans | -103.3 | 5.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1073 K1099 S1100 G1128 Y1149 | V1073-A1097 HydrophobicContact CB-CB 4.43Å; V1073-A1097 HydrophobicContact CG1-CB 3.92Å; V1073-A1097 HydrophobicContact CG2-CB 3.83Å; A1097-K1099 PolarHBondContact O-N 2.77Å; A1097-S1100 PolarHBondContact O-N 3.32Å; A1097-G1128 PolarHBondContact N-O 3.43Å; A1097-Y1149 HydrophobicContact CB-CD1 4.4Å; A1097-Y1149 HydrophobicContact CB-CD2 4.19Å; A1097-Y1149 HydrophobicContact CB-CE1 3.88Å; A1097-Y1149 HydrophobicContact CB-CE2 3.65Å; A1097-Y1149 VanDerWaalsContact CB-CZ 3.47Å | ||
| 1098 | S | 76.5 | Confident | 80.9 | Confident | 70 Ų | 70 | 54.7 Ų | 54.7 | 49% | 0.49 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -13.7 | -168 | 60.8 | 0 | 0 | 0 | 0 | 116.5 | D1096 H1127 | D1096-S1098 WeakPolarHBondContact OD1-CB 3.48Å; D1096-S1098 PolarHBondContact OD1-N 3.07Å; D1096-S1098 PolarHBondContact OD1-OG 3.28Å; S1098-H1127 WeakPolarHBondContact CB-O 3.45Å |
| 1099 | K | 72.2 | Confident | 81.7 | Confident | 164 Ų | 164 | 53.4 Ų | 53.4 | 71% | 0.713 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | -14.2 | 179.1 | -65.7 | 177.2 | -176.4 | 172.3 | 0 | 114.2 | L1072 A1097 | L1072-K1099 HydrophobicContact CB-CB 4.01Å; L1072-K1099 VanDerWaalsContact CD1-O 3.29Å; L1072-K1099 WeakPolarHBondContact CD1-O 3.28Å; A1097-K1099 PolarHBondContact O-N 2.77Å |
| 1100 | S | 69.5 | Low | 81.9 | Confident | 16 Ų | 16 | 53.4 Ų | 53.4 | 11% | 0.112 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -83.7 | 156.7 | 168.2 | -179.3 | 0 | 0 | 0 | 0 | 109.7 | D1069 A1097 | D1069-S1100 PolarHBondContact N-OG 3.21Å; D1069-S1100 VanDerWaalsContact N-OG 3.14Å; D1069-S1100 VanDerWaalsContact O-CB 3.29Å; D1069-S1100 WeakPolarHBondContact O-CB 3.47Å; D1069-S1100 PolarHBondContact O-OG 3.24Å; A1097-S1100 PolarHBondContact O-N 3.32Å |
| 1101 | G | 62.1 | Low | 81.6 | Confident | 20 Ų | 20 | 50.1 Ų | 50.1 | 21% | 0.206 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 155 | 154.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1102 | P | 63.9 | Low | 80.9 | Confident | 115 Ų | 115 | 56 Ų | 56 | 75% | 0.747 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 139 | -165.5 | 27.9 | -35.8 | 0 | 0 | 0 | 114.1 | ||
| 1103 | A | 69.5 | Low | 79.7 | Confident | 34 Ų | 34 | 54.6 Ų | 54.6 | 28% | 0.281 | 31% | 0.31 | S | S | . | . | trans | -151 | 178.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y1149 | A1103-Y1149 HydrophobicContact CB-CD1 4Å; A1103-Y1149 HydrophobicContact CB-CE1 3.66Å; A1103-Y1149 PolarHBondContact N-OH 2.9Å; A1103-Y1149 WeakPolarHBondContact O-CE2 3.33Å; A1103-Y1149 VanDerWaalsContact O-CZ 3.23Å; A1103-Y1149 PolarHBondContact O-OH 3.39Å; A1103-Y1149 VanDerWaalsContact O-OH 3.09Å | ||
| 1104 | L | 77.9 | Confident | 78.2 | Confident | 140 Ų | 140 | 56.1 Ų | 56.1 | 73% | 0.733 | 33% | 0.326 | S | S | * | . | trans | -78.8 | 137 | 178.4 | -171.1 | 74.3 | 0 | 0 | 0 | 111.7 | Y1149 G1150 | L1104-Y1149 WeakPolarHBondContact O-CA 3.43Å; L1104-G1150 PolarHBondContact O-N 3.22Å | ||
| 1105 | L | 87.1 | Confident | 76.9 | Confident | 15 Ų | 15 | 57.3 Ų | 57.3 | 8% | 0.079 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 142.2 | 168.8 | -178.7 | 65.9 | 0 | 0 | 0 | 110.8 | V1095 I1122 Y1130 V1147 L1148 Y1149 | V1095-L1105 HydrophobicContact CB-CD2 3.96Å; V1095-L1105 HydrophobicContact CG1-CD1 3.95Å; V1095-L1105 HydrophobicContact CG1-CD2 4.2Å; V1095-L1105 HydrophobicContact CG2-CD2 4.15Å; L1105-I1122 HydrophobicContact CD2-CG2 4.18Å; L1105-Y1130 HydrophobicContact CB-CE2 4.42Å; L1105-Y1130 HydrophobicContact CD2-CD1 4.04Å; L1105-Y1130 HydrophobicContact CD2-CD2 3.56Å; L1105-Y1130 HydrophobicContact CD2-CE2 4.26Å; L1105-Y1130 HydrophobicContact CD2-CG 3.45Å; L1105-Y1130 VanDerWaalsContact CD2-CG 3.45Å; L1105-V1147 HydrophobicContact CD1-CG1 3.88Å; L1105-L1148 CarbonylContact C-O 3.48Å; L1105-L1148 WeakPolarHBondContact CA-O 3.5Å; L1105-Y1149 HydrophobicContact CB-CD2 4.05Å; L1105-Y1149 HydrophobicContact CB-CE2 4.34Å; L1105-Y1149 HydrophobicContact CD1-CD2 4.18Å |
| 1106 | N | 85.8 | Confident | 75.3 | Confident | 65 Ų | 65 | 58.8 Ų | 58.8 | 35% | 0.348 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 150.4 | 172.4 | -160.3 | 4.7 | 0 | 0 | 0 | 110.8 | L1148 | N1106-L1148 HydrophobicContact CB-CB 4.38Å; N1106-L1148 PolarHBondContact N-O 3.38Å; N1106-L1148 PolarHBondContact O-N 2.8Å |
| 1107 | V | 92.8 | Very high | 73.9 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.006 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 136.4 | -178.1 | -176.6 | 0 | 0 | 0 | 0 | 111 | F1093 P1120 I1122 V1132 V1145 H1146 V1147 | F1093-V1107 HydrophobicContact CZ-CG1 4.11Å; F1093-V1107 HydrophobicContact CZ-CG2 4.49Å; V1107-P1120 HydrophobicContact CB-CB 4.49Å; V1107-P1120 HydrophobicContact CG1-CB 4.32Å; V1107-P1120 HydrophobicContact CG1-CG 4.12Å; V1107-I1122 HydrophobicContact CB-CD1 4.07Å; V1107-I1122 HydrophobicContact CG2-CD1 3.89Å; V1107-I1122 HydrophobicContact CG2-CG1 4.4Å; V1107-V1132 HydrophobicContact CB-CG1 4.37Å; V1107-V1132 HydrophobicContact CG1-CG1 4.15Å; V1107-V1132 HydrophobicContact CG2-CG1 4.16Å; V1107-V1132 HydrophobicContact CG2-CG2 4.13Å; V1107-V1145 HydrophobicContact CG1-CG1 4.16Å; V1107-H1146 VanDerWaalsContact CA-O 3.26Å; V1107-H1146 WeakPolarHBondContact CA-O 3.5Å; V1107-H1146 WeakPolarHBondContact CG1-O 3.43Å; V1107-V1147 HydrophobicContact CG1-CG2 4.41Å; V1107-V1147 HydrophobicContact CG2-CG1 4.36Å; V1107-V1147 HydrophobicContact CG2-CG2 4.36Å |
| 1108 | L | 86.9 | Confident | 72.9 | Confident | 84 Ų | 84 | 71.6 Ų | 71.6 | 44% | 0.44 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 151.3 | 178.2 | -55.3 | 170.6 | 0 | 0 | 0 | 110.5 | H1146 L1148 | L1108-H1146 HydrophobicContact CB-CB 4.24Å; L1108-H1146 PolarHBondContact N-O 2.88Å; L1108-H1146 PolarHBondContact O-N 3.21Å; L1108-L1148 HydrophobicContact CD1-CD1 4.25Å |
| 1109 | I | 86.7 | Confident | 72.8 | Confident | 11 Ų | 11 | 75.3 Ų | 75.3 | 6% | 0.056 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 125.6 | 176.1 | -48.2 | -68.7 | 0 | 0 | 0 | 109 | A1116 P1120 Y1134 S1144 V1145 | I1109-A1116 HydrophobicContact CB-CB 3.88Å; I1109-A1116 HydrophobicContact CG2-CB 3.9Å; I1109-A1116 PolarHBondContact O-N 3.13Å; I1109-P1120 HydrophobicContact CD1-CG 4.03Å; I1109-P1120 HydrophobicContact CG1-CG 3.5Å; I1109-Y1134 HydrophobicContact CD1-CD1 4.26Å; I1109-Y1134 HydrophobicContact CD1-CD2 3.75Å; I1109-Y1134 HydrophobicContact CD1-CE1 4.48Å; I1109-Y1134 HydrophobicContact CD1-CE2 4.02Å; I1109-Y1134 HydrophobicContact CD1-CG 3.88Å; I1109-Y1134 HydrophobicContact CG1-CD2 4.13Å; I1109-Y1134 HydrophobicContact CG1-CG 4.35Å; I1109-S1144 VanDerWaalsContact CA-O 3.32Å; I1109-S1144 WeakPolarHBondContact CA-O 3.3Å; I1109-V1145 HydrophobicContact CD1-CB 4.13Å; I1109-V1145 HydrophobicContact CD1-CG1 3.81Å; I1109-V1145 HydrophobicContact CD1-CG2 3.76Å |
| 1110 | D | 78.3 | Confident | 73.3 | Confident | 56 Ų | 56 | 68.3 Ų | 68.3 | 30% | 0.299 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 162.1 | 177.5 | 74.6 | -61.4 | 0 | 0 | 0 | 113.3 | S1144 H1146 | D1110-S1144 PolarHBondContact N-O 2.95Å; D1110-S1144 PolarHBondContact O-N 3.48Å; D1110-S1144 WeakPolarHBondContact OD1-CB 3.35Å; D1110-S1144 VanDerWaalsContact OD1-O 3.12Å; D1110-S1144 PolarHBondContact OD1-OG 3.19Å; D1110-H1146 IonicContact OD1-CD2 2.83Å; D1110-H1146 PolarHBondContact OD1-CD2 2.55Å; D1110-H1146 VanDerWaalsContact OD1-CD2 3.22Å; D1110-H1146 IonicContact OD1-NE2 3.9Å; D1110-H1146 PolarHBondContact OD1-NE2 3.41Å |
| 1111 | T | 74 | Confident | 74.1 | Confident | 18 Ų | 18 | 73.5 Ų | 73.5 | 11% | 0.11 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 167.4 | -178.2 | 69 | 0 | 0 | 0 | 0 | 110 | S1113 G1114 P1137 N1142 | T1111-S1113 PolarHBondContact O-N 3.15Å; T1111-S1113 PolarHBondContact OG1-N 2.93Å; T1111-S1113 PolarHBondContact OG1-OG 3.14Å; T1111-G1114 WeakPolarHBondContact CB-O 3.41Å; T1111-G1114 PolarHBondContact N-O 3.49Å; T1111-G1114 PolarHBondContact O-N 3.45Å; T1111-G1114 PolarHBondContact OG1-N 3.48Å; T1111-G1114 PolarHBondContact OG1-O 3.24Å; T1111-P1137 HydrophobicContact CG2-CB 3.63Å; T1111-P1137 HydrophobicContact CG2-CG 3.58Å; T1111-N1142 WeakPolarHBondContact CA-O 3.5Å |
| 1112 | E | 70.5 | Confident | 75.4 | Confident | 134 Ų | 134 | 75.6 Ų | 75.6 | 63% | 0.626 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -22 | 171.5 | -67.5 | 160.8 | -118.8 | 0 | 0 | 113.5 | N1142 | E1112-N1142 WeakPolarHBondContact OE1-CB 3.29Å; E1112-N1142 PolarHBondContact OE1-N 3.27Å; E1112-N1142 PolarHBondContact OE1-ND2 2.9Å |
| 1113 | S | 65.2 | Low | 76.5 | Confident | 109 Ų | 109 | 73 Ų | 73 | 76% | 0.762 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -0.7 | 174.9 | 35.1 | 0 | 0 | 0 | 0 | 114.9 | T1111 | T1111-S1113 PolarHBondContact O-N 3.15Å; T1111-S1113 PolarHBondContact OG1-N 2.93Å; T1111-S1113 PolarHBondContact OG1-OG 3.14Å |
| 1114 | G | 62.8 | Low | 77 | Confident | 36 Ų | 36 | 77 Ų | 77 | 37% | 0.371 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 111.2 | -165.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | T1111 | T1111-G1114 WeakPolarHBondContact CB-O 3.41Å; T1111-G1114 PolarHBondContact N-O 3.49Å; T1111-G1114 PolarHBondContact O-N 3.45Å; T1111-G1114 PolarHBondContact OG1-N 3.48Å; T1111-G1114 PolarHBondContact OG1-O 3.24Å |
| 1115 | A | 65.7 | Low | 77.1 | Confident | 89 Ų | 89 | 75.3 Ų | 75.3 | 74% | 0.736 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 146.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1116 | A | 60.6 | Low | 75.9 | Confident | 32 Ų | 32 | 75.8 Ų | 75.8 | 26% | 0.264 | 43% | 0.426 | S | S | . | . | trans | -64.6 | 146.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1109 K1118 | I1109-A1116 HydrophobicContact CB-CB 3.88Å; I1109-A1116 HydrophobicContact CG2-CB 3.9Å; I1109-A1116 PolarHBondContact O-N 3.13Å; A1116-K1118 PolarHBondContact O-N 3.19Å; A1116-K1118 VanDerWaalsContact O-N 3.12Å | ||
| 1117 | S | 59.7 | Low | 75.2 | Confident | 136 Ų | 136 | 81.4 Ų | 81.4 | 95% | 0.951 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -69 | -8.7 | -173.5 | 54.8 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1118 | K | 62.4 | Low | 74.2 | Confident | 158 Ų | 158 | 82 Ų | 82 | 69% | 0.687 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -136 | 130.9 | 178.1 | -164.5 | 175.4 | -175.8 | 177.5 | 0 | 110.6 | A1116 | A1116-K1118 PolarHBondContact O-N 3.19Å; A1116-K1118 VanDerWaalsContact O-N 3.12Å |
| 1119 | Q | 74.5 | Confident | 74.1 | Confident | 149 Ų | 149 | 80.6 Ų | 80.6 | 70% | 0.696 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 141.6 | 178.3 | -167.8 | 171.8 | 11.7 | 0 | 0 | 111.1 | ||
| 1120 | P | 83.9 | Confident | 74.3 | Confident | 16 Ų | 16 | 81.3 Ų | 81.3 | 10% | 0.104 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 147.8 | 173.8 | -26.1 | 36.8 | 0 | 0 | 0 | 113.5 | V1107 I1109 V1132 V1133 | V1107-P1120 HydrophobicContact CB-CB 4.49Å; V1107-P1120 HydrophobicContact CG1-CB 4.32Å; V1107-P1120 HydrophobicContact CG1-CG 4.12Å; I1109-P1120 HydrophobicContact CD1-CG 4.03Å; I1109-P1120 HydrophobicContact CG1-CG 3.5Å; P1120-V1132 HydrophobicContact CB-CG1 4.12Å; P1120-V1133 WeakPolarHBondContact CA-O 3.44Å |
| 1121 | E | 85.5 | Confident | 75 | Confident | 126 Ų | 126 | 80.1 Ų | 80.1 | 59% | 0.589 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 133.3 | 172.6 | -171.2 | 171.2 | -163.4 | 0 | 0 | 109.8 | I1123 V1132 V1133 | E1121-I1123 HydrophobicContact CG-CG1 4.31Å; E1121-V1132 CarbonylContact O-C 3.58Å; E1121-V1132 VanDerWaalsContact O-CA 3.28Å; E1121-V1132 WeakPolarHBondContact O-CA 3.32Å; E1121-V1133 PolarHBondContact N-O 3.48Å; E1121-V1133 PolarHBondContact O-N 3.14Å |
| 1122 | I | 90.3 | Very high | 75.9 | Confident | 63 Ų | 63 | 79.2 Ų | 79.2 | 32% | 0.323 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 124.8 | -177.1 | -54.9 | 176.1 | 0 | 0 | 0 | 109.1 | L1105 V1107 Y1130 V1132 | L1105-I1122 HydrophobicContact CD2-CG2 4.18Å; V1107-I1122 HydrophobicContact CB-CD1 4.07Å; V1107-I1122 HydrophobicContact CG2-CD1 3.89Å; V1107-I1122 HydrophobicContact CG2-CG1 4.4Å; I1122-Y1130 HydrophobicContact CG2-CD1 4.38Å; I1122-V1132 HydrophobicContact CG1-CG1 4.45Å; I1122-V1132 HydrophobicContact CG1-CG2 4.43Å |
| 1123 | I | 86.6 | Confident | 76.8 | Confident | 62 Ų | 62 | 74.5 Ų | 74.5 | 32% | 0.318 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 108.1 | -171.4 | -53.7 | 172.8 | 0 | 0 | 0 | 109.1 | E1121 K1125 Y1130 E1131 | E1121-I1123 HydrophobicContact CG-CG1 4.31Å; I1123-K1125 HydrophobicContact CG2-CD 4.4Å; I1123-Y1130 CarbonylContact O-C 3.54Å; I1123-Y1130 WeakPolarHBondContact O-CA 3.36Å; I1123-E1131 HydrophobicContact CB-CB 4.48Å; I1123-E1131 PolarHBondContact N-O 3.49Å; I1123-E1131 PolarHBondContact O-N 3.46Å |
| 1124 | E | 79.6 | Confident | 77.8 | Confident | 118 Ų | 118 | 70.1 Ų | 70.1 | 55% | 0.551 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 132.3 | 175.1 | -174.5 | 164.3 | 172.2 | 0 | 0 | 111.4 | Y1130 | E1124-Y1130 HydrophobicContact CB-CD1 3.68Å; E1124-Y1130 HydrophobicContact CB-CE1 3.69Å; E1124-Y1130 HydrophobicContact CG-CD1 3.89Å; E1124-Y1130 HydrophobicContact CG-CE1 3.59Å; E1124-Y1130 WeakPolarHBondContact OE2-CE1 3.43Å |
| 1125 | K | 80.5 | Confident | 78.7 | Confident | 104 Ų | 104 | 73.6 Ų | 73.6 | 45% | 0.452 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 1.3 | 176 | -53.5 | -61.6 | -178.4 | 174.2 | 0 | 112.6 | I1123 L1129 E1131 | I1123-K1125 HydrophobicContact CG2-CD 4.4Å; K1125-L1129 HydrophobicContact CB-CB 4.42Å; K1125-L1129 HydrophobicContact CB-CD2 4.24Å; K1125-L1129 HydrophobicContact CB-CG 4.32Å; K1125-L1129 PolarHBondContact N-O 3.43Å; K1125-E1131 WeakPolarHBondContact CE-OE2 3.31Å; K1125-E1131 IonicContact NZ-OE2 3.48Å; K1125-E1131 PolarHBondContact NZ-OE2 2.88Å |
| 1126 | G | 62.3 | Low | 79.3 | Confident | 24 Ų | 24 | 69.7 Ų | 69.7 | 25% | 0.247 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 94.2 | 164 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | G1128 L1129 | G1126-G1128 PolarHBondContact O-N 3.28Å; G1126-G1128 VanDerWaalsContact O-N 3.11Å; G1126-L1129 WeakPolarHBondContact O-CB 3.49Å; G1126-L1129 PolarHBondContact O-N 2.93Å |
| 1127 | H | 71.4 | Confident | 80.1 | Confident | 184 Ų | 184 | 69.3 Ų | 69.3 | 85% | 0.852 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 26.8 | -179.7 | -59.9 | -76.6 | 0 | 0 | 0 | 115.3 | S1098 L1129 | S1098-H1127 WeakPolarHBondContact CB-O 3.45Å; H1127-L1129 VanDerWaalsContact C-N 3.34Å |
| 1128 | G | 71.8 | Confident | 80.9 | Confident | 12 Ų | 12 | 68 Ų | 68 | 12% | 0.124 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 16.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A1097 G1126 Y1130 | A1097-G1128 PolarHBondContact N-O 3.43Å; G1126-G1128 PolarHBondContact O-N 3.28Å; G1126-G1128 VanDerWaalsContact O-N 3.11Å; G1128-Y1130 VanDerWaalsContact C-CE2 3.49Å; G1128-Y1130 WeakPolarHBondContact O-CD2 3.37Å; G1128-Y1130 WeakPolarHBondContact O-CE2 3.29Å |
| 1129 | L | 84.9 | Confident | 81.5 | Confident | 55 Ų | 55 | 62.5 Ų | 62.5 | 29% | 0.288 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 134.4 | 168.3 | -174.1 | 71 | 0 | 0 | 0 | 110 | V1095 D1096 K1125 G1126 H1127 | V1095-L1129 CarbonylContact O-C 3.57Å; V1095-L1129 WeakPolarHBondContact O-CA 3.5Å; D1096-L1129 HydrophobicContact CB-CD1 3.83Å; K1125-L1129 HydrophobicContact CB-CB 4.42Å; K1125-L1129 HydrophobicContact CB-CD2 4.24Å; K1125-L1129 HydrophobicContact CB-CG 4.32Å; K1125-L1129 PolarHBondContact N-O 3.43Å; G1126-L1129 WeakPolarHBondContact O-CB 3.49Å; G1126-L1129 PolarHBondContact O-N 2.93Å; H1127-L1129 VanDerWaalsContact C-N 3.34Å |
| 1130 | Y | 89.4 | Confident | 81.6 | Confident | 26 Ų | 26 | 57 Ų | 57 | 10% | 0.102 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 146.5 | -177.7 | -54.1 | -93 | 0 | 0 | 0 | 110.3 | L1094 V1095 L1105 I1122 I1123 E1124 G1128 Y1149 | L1094-Y1130 CarbonylContact C-O 3.59Å; L1094-Y1130 WeakPolarHBondContact CA-O 3.38Å; L1094-Y1130 WeakPolarHBondContact CD2-O 3.41Å; V1095-Y1130 PolarHBondContact N-O 2.83Å; V1095-Y1130 PolarHBondContact O-N 2.86Å; L1105-Y1130 HydrophobicContact CB-CE2 4.42Å; L1105-Y1130 HydrophobicContact CD2-CD1 4.04Å; L1105-Y1130 HydrophobicContact CD2-CD2 3.56Å; L1105-Y1130 HydrophobicContact CD2-CE2 4.26Å; L1105-Y1130 HydrophobicContact CD2-CG 3.45Å; L1105-Y1130 VanDerWaalsContact CD2-CG 3.45Å; I1122-Y1130 HydrophobicContact CG2-CD1 4.38Å; I1123-Y1130 CarbonylContact O-C 3.54Å; I1123-Y1130 WeakPolarHBondContact O-CA 3.36Å; E1124-Y1130 HydrophobicContact CB-CD1 3.68Å; E1124-Y1130 HydrophobicContact CB-CE1 3.69Å; E1124-Y1130 HydrophobicContact CG-CD1 3.89Å; E1124-Y1130 HydrophobicContact CG-CE1 3.59Å; E1124-Y1130 WeakPolarHBondContact OE2-CE1 3.43Å; G1128-Y1130 VanDerWaalsContact C-CE2 3.49Å; G1128-Y1130 WeakPolarHBondContact O-CD2 3.37Å; G1128-Y1130 WeakPolarHBondContact O-CE2 3.29Å; Y1130-Y1149 HydrophobicContact CE2-CE2 4.48Å |
| 1131 | E | 93.7 | Very high | 81.5 | Confident | 31 Ų | 31 | 57.4 Ų | 57.4 | 15% | 0.145 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 143.3 | 164.7 | -174.3 | 177.8 | -165.3 | 0 | 0 | 109.3 | R1092 F1093 L1094 I1123 K1125 | R1092-E1131 WeakPolarHBondContact CD-OE1 3.5Å; R1092-E1131 IonicContact CZ-OE1 3.38Å; R1092-E1131 IonicContact NH1-OE1 3.12Å; R1092-E1131 PolarHBondContact NH1-OE1 3.39Å; F1093-E1131 CarbonylContact O-C 3.5Å; F1093-E1131 WeakPolarHBondContact O-CA 3.27Å; L1094-E1131 HydrophobicContact CD2-CB 3.84Å; L1094-E1131 HydrophobicContact CD2-CG 4.23Å; I1123-E1131 HydrophobicContact CB-CB 4.48Å; I1123-E1131 PolarHBondContact N-O 3.49Å; I1123-E1131 PolarHBondContact O-N 3.46Å; K1125-E1131 WeakPolarHBondContact CE-OE2 3.31Å; K1125-E1131 IonicContact NZ-OE2 3.48Å; K1125-E1131 PolarHBondContact NZ-OE2 2.88Å |
| 1132 | V | 92.8 | Very high | 81.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 136.9 | -178 | -175.7 | 0 | 0 | 0 | 0 | 109.2 | R1092 F1093 V1095 V1107 P1120 E1121 I1122 | R1092-V1132 CarbonylContact C-O 3.33Å; R1092-V1132 WeakPolarHBondContact CA-O 3.28Å; F1093-V1132 HydrophobicContact CD1-CB 4.14Å; F1093-V1132 HydrophobicContact CD1-CG1 4.41Å; F1093-V1132 HydrophobicContact CD2-CB 4.21Å; F1093-V1132 HydrophobicContact CD2-CG2 4.32Å; F1093-V1132 HydrophobicContact CE1-CB 3.82Å; F1093-V1132 HydrophobicContact CE1-CG1 3.68Å; F1093-V1132 HydrophobicContact CE2-CB 3.91Å; F1093-V1132 HydrophobicContact CE2-CG1 4.32Å; F1093-V1132 HydrophobicContact CE2-CG2 3.84Å; F1093-V1132 HydrophobicContact CG-CB 4.34Å; F1093-V1132 HydrophobicContact CZ-CB 3.7Å; F1093-V1132 HydrophobicContact CZ-CG1 3.64Å; F1093-V1132 HydrophobicContact CZ-CG2 4Å; F1093-V1132 PolarHBondContact N-O 2.94Å; F1093-V1132 PolarHBondContact O-N 3.39Å; V1095-V1132 HydrophobicContact CG2-CG2 4.16Å; V1107-V1132 HydrophobicContact CB-CG1 4.37Å; V1107-V1132 HydrophobicContact CG1-CG1 4.15Å; V1107-V1132 HydrophobicContact CG2-CG1 4.16Å; V1107-V1132 HydrophobicContact CG2-CG2 4.13Å; P1120-V1132 HydrophobicContact CB-CG1 4.12Å; E1121-V1132 CarbonylContact O-C 3.58Å; E1121-V1132 VanDerWaalsContact O-CA 3.28Å; E1121-V1132 WeakPolarHBondContact O-CA 3.32Å; I1122-V1132 HydrophobicContact CG1-CG1 4.45Å; I1122-V1132 HydrophobicContact CG1-CG2 4.43Å |
| 1133 | V | 89.5 | Confident | 81 | Confident | 35 Ų | 35 | 51 Ų | 51 | 21% | 0.212 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 136.3 | -179.5 | -172.9 | 0 | 0 | 0 | 0 | 111.1 | L1091 R1092 P1120 E1121 | L1091-V1133 WeakPolarHBondContact O-CA 3.33Å; R1092-V1133 HydrophobicContact CB-CG2 4.17Å; P1120-V1133 WeakPolarHBondContact CA-O 3.44Å; E1121-V1133 PolarHBondContact N-O 3.48Å; E1121-V1133 PolarHBondContact O-N 3.14Å |
| 1134 | Y | 86.4 | Confident | 81.1 | Confident | 16 Ų | 16 | 48.5 Ų | 48.5 | 6% | 0.063 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 176.3 | 175.4 | 74.3 | -78.5 | 0 | 0 | 0 | 111.7 | G1079 P1090 L1091 F1093 I1109 V1145 M1161 | G1079-Y1134 WeakPolarHBondContact O-CE1 3.29Å; G1079-Y1134 PolarHBondContact O-OH 3.15Å; P1090-Y1134 CarbonylContact C-O 3.55Å; P1090-Y1134 WeakPolarHBondContact CA-O 3.49Å; L1091-Y1134 HydrophobicContact CB-CD1 4.04Å; L1091-Y1134 HydrophobicContact CB-CE1 3.68Å; L1091-Y1134 HydrophobicContact CB-CE2 4.35Å; L1091-Y1134 HydrophobicContact CD1-CE1 4.32Å; L1091-Y1134 HydrophobicContact CD1-CE2 3.82Å; L1091-Y1134 WeakPolarHBondContact CD1-OH 3.34Å; L1091-Y1134 PolarHBondContact N-O 2.93Å; L1091-Y1134 PolarHBondContact O-N 2.94Å; F1093-Y1134 HydrophobicContact CD1-CE1 4.28Å; F1093-Y1134 HydrophobicContact CE1-CD1 4.3Å; F1093-Y1134 HydrophobicContact CE1-CE1 4.13Å; I1109-Y1134 HydrophobicContact CD1-CD1 4.26Å; I1109-Y1134 HydrophobicContact CD1-CD2 3.75Å; I1109-Y1134 HydrophobicContact CD1-CE1 4.48Å; I1109-Y1134 HydrophobicContact CD1-CE2 4.02Å; I1109-Y1134 HydrophobicContact CD1-CG 3.88Å; I1109-Y1134 HydrophobicContact CG1-CD2 4.13Å; I1109-Y1134 HydrophobicContact CG1-CG 4.35Å; Y1134-V1145 HydrophobicContact CE1-CG2 4.42Å; Y1134-V1145 HydrophobicContact CE2-CG2 4.43Å; Y1134-M1161 PolarHBondContact OH-SD 3.42Å; Y1134-M1161 VanDerWaalsContact OH-SD 3.38Å |
| 1135 | Q | 81.4 | Confident | 81.7 | Confident | 110 Ų | 110 | 42.9 Ų | 42.9 | 51% | 0.514 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 142.6 | 170.7 | -77.5 | -179.6 | -62.4 | 0 | 0 | 110.4 | G1088 P1090 | G1088-Q1135 PolarHBondContact O-NE2 2.95Å; P1090-Q1135 HydrophobicContact CB-CG 4.44Å; P1090-Q1135 HydrophobicContact CG-CG 4.29Å |
| 1136 | A | 77.4 | Confident | 82.2 | Confident | 7 Ų | 7 | 40 Ų | 40 | 6% | 0.058 | 23% | 0.226 | C | C | . | . | trans | -68 | 135.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1086 G1088 L1091 V1163 | R1086-A1136 WeakPolarHBondContact O-CB 3.4Å; G1088-A1136 PolarHBondContact N-O 2.74Å; L1091-A1136 HydrophobicContact CD1-CB 4.01Å; A1136-V1163 HydrophobicContact CB-CG1 3.94Å; A1136-V1163 HydrophobicContact CB-CG2 4.47Å | ||
| 1137 | P | 77.7 | Confident | 83.7 | Confident | 24 Ų | 24 | 38.9 Ų | 38.9 | 16% | 0.156 | 21% | 0.214 | C | C | . | . | trans | -71.8 | -170.4 | 177.2 | 30.9 | -34.4 | 0 | 0 | 0 | 112.1 | Y1087 T1111 A1139 C1143 V1163 | Y1087-P1137 VanDerWaalsContact CD2-O 3.3Å; Y1087-P1137 WeakPolarHBondContact CD2-O 3.47Å; T1111-P1137 HydrophobicContact CG2-CB 3.63Å; T1111-P1137 HydrophobicContact CG2-CG 3.58Å; P1137-A1139 PolarHBondContact O-N 3.3Å; P1137-C1143 VanDerWaalsContact CD-SG 3.54Å; P1137-C1143 HydrophobicContact CG-CB 3.67Å; P1137-V1163 HydrophobicContact CG-CG2 3.95Å; P1137-V1163 WeakPolarHBondContact O-CG1 3.31Å | ||
| 1138 | L | 76.1 | Confident | 84.5 | Confident | 109 Ų | 109 | 31.7 Ų | 31.7 | 57% | 0.571 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -55.4 | 137 | -168.2 | -152 | 81.2 | 0 | 0 | 0 | 113.6 | Y1087 G1140 T1141 | Y1087-L1138 HydrophobicContact CE2-CD1 4.02Å; L1138-G1140 PolarHBondContact O-N 3.28Å; L1138-T1141 HydrophobicContact CB-CG2 4.15Å; L1138-T1141 WeakPolarHBondContact O-CB 3.42Å; L1138-T1141 WeakPolarHBondContact O-CG2 3.31Å; L1138-T1141 PolarHBondContact O-N 2.83Å; L1138-T1141 PolarHBondContact O-OG1 2.96Å |
| 1139 | A | 75.4 | Confident | 85 | Confident | 41 Ų | 41 | 31.5 Ų | 31.5 | 34% | 0.339 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 136.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y1087 P1137 T1141 | Y1087-A1139 HydrophobicContact CD1-CB 4.3Å; Y1087-A1139 HydrophobicContact CG-CB 4.13Å; P1137-A1139 PolarHBondContact O-N 3.3Å; A1139-T1141 VanDerWaalsContact C-N 3.33Å |
| 1140 | G | 78 | Confident | 84.6 | Confident | 35 Ų | 35 | 31.3 Ų | 31.3 | 36% | 0.361 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89 | -18 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L1138 R1162 V1163 | L1138-G1140 PolarHBondContact O-N 3.28Å; G1140-R1162 VanDerWaalsContact O-CZ 3.25Å; G1140-R1162 PolarHBondContact O-NE 3.03Å; G1140-R1162 PolarHBondContact O-NH2 2.87Å; G1140-V1163 PolarHBondContact N-O 3.37Å |
| 1141 | T | 81 | Confident | 84 | Confident | 23 Ų | 23 | 33.3 Ų | 33.3 | 14% | 0.141 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -74 | 159.3 | 173.7 | 64.6 | 0 | 0 | 0 | 0 | 112.1 | L1138 A1139 V1163 | L1138-T1141 HydrophobicContact CB-CG2 4.15Å; L1138-T1141 WeakPolarHBondContact O-CB 3.42Å; L1138-T1141 WeakPolarHBondContact O-CG2 3.31Å; L1138-T1141 PolarHBondContact O-N 2.83Å; L1138-T1141 PolarHBondContact O-OG1 2.96Å; A1139-T1141 VanDerWaalsContact C-N 3.33Å; T1141-V1163 PolarHBondContact O-N 3.44Å |
| 1142 | N | 82.4 | Confident | 83.3 | Confident | 54 Ų | 54 | 39 Ų | 39 | 29% | 0.289 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 134 | 157.4 | -63.8 | -72.2 | 0 | 0 | 0 | 110 | T1111 E1112 T1160 | T1111-N1142 WeakPolarHBondContact CA-O 3.5Å; E1112-N1142 WeakPolarHBondContact OE1-CB 3.29Å; E1112-N1142 PolarHBondContact OE1-N 3.27Å; E1112-N1142 PolarHBondContact OE1-ND2 2.9Å; N1142-T1160 HydrophobicContact CB-CG2 4.22Å |
| 1143 | C | 83 | Confident | 82.9 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 124.9 | 169.7 | 173.6 | 0 | 0 | 0 | 0 | 107.2 | P1137 M1161 V1163 | P1137-C1143 VanDerWaalsContact CD-SG 3.54Å; P1137-C1143 HydrophobicContact CG-CB 3.67Å; C1143-M1161 HydrophobicContact CB-CG 4.12Å; C1143-M1161 PolarHBondContact N-O 2.86Å; C1143-M1161 PolarHBondContact O-N 2.98Å; C1143-V1163 HydrophobicContact CB-CG2 3.66Å |
| 1144 | S | 88.7 | Confident | 83.1 | Confident | 11 Ų | 11 | 41.2 Ų | 41.2 | 8% | 0.077 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 131.8 | -178.4 | 159.6 | 0 | 0 | 0 | 0 | 109.9 | I1109 D1110 | I1109-S1144 VanDerWaalsContact CA-O 3.32Å; I1109-S1144 WeakPolarHBondContact CA-O 3.3Å; D1110-S1144 PolarHBondContact N-O 2.95Å; D1110-S1144 PolarHBondContact O-N 3.48Å; D1110-S1144 WeakPolarHBondContact OD1-CB 3.35Å; D1110-S1144 VanDerWaalsContact OD1-O 3.12Å; D1110-S1144 PolarHBondContact OD1-OG 3.19Å |
| 1145 | V | 91.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 102.9 | -171 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | L1080 F1093 V1107 I1109 Y1134 V1147 P1158 F1159 M1161 | L1080-V1145 HydrophobicContact CD2-CB 4.27Å; L1080-V1145 HydrophobicContact CD2-CG1 3.96Å; F1093-V1145 HydrophobicContact CE1-CG1 3.91Å; F1093-V1145 HydrophobicContact CZ-CG1 3.89Å; V1107-V1145 HydrophobicContact CG1-CG1 4.16Å; I1109-V1145 HydrophobicContact CD1-CB 4.13Å; I1109-V1145 HydrophobicContact CD1-CG1 3.81Å; I1109-V1145 HydrophobicContact CD1-CG2 3.76Å; Y1134-V1145 HydrophobicContact CE1-CG2 4.42Å; Y1134-V1145 HydrophobicContact CE2-CG2 4.43Å; V1145-V1147 HydrophobicContact CG1-CG2 4.21Å; V1145-P1158 CarbonylContact O-C 3.59Å; V1145-P1158 VanDerWaalsContact O-CA 3.31Å; V1145-P1158 WeakPolarHBondContact O-CA 3.44Å; V1145-F1159 HydrophobicContact CB-CB 4.25Å; V1145-F1159 PolarHBondContact N-O 2.57Å; V1145-F1159 PolarHBondContact O-N 2.79Å; V1145-M1161 HydrophobicContact CG2-CE 3.79Å |
| 1146 | H | 91.8 | Very high | 83.3 | Confident | 44 Ų | 44 | 44.3 Ų | 44.3 | 20% | 0.204 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 129.4 | 176.1 | -69.7 | -100.4 | 0 | 0 | 0 | 110.4 | V1107 L1108 D1110 E1153 | V1107-H1146 VanDerWaalsContact CA-O 3.26Å; V1107-H1146 WeakPolarHBondContact CA-O 3.5Å; V1107-H1146 WeakPolarHBondContact CG1-O 3.43Å; L1108-H1146 HydrophobicContact CB-CB 4.24Å; L1108-H1146 PolarHBondContact N-O 2.88Å; L1108-H1146 PolarHBondContact O-N 3.21Å; D1110-H1146 IonicContact OD1-CD2 2.83Å; D1110-H1146 PolarHBondContact OD1-CD2 2.55Å; D1110-H1146 VanDerWaalsContact OD1-CD2 3.22Å; D1110-H1146 IonicContact OD1-NE2 3.9Å; D1110-H1146 PolarHBondContact OD1-NE2 3.41Å; H1146-E1153 IonicContact CE1-OE1 2.81Å; H1146-E1153 IonicContact CG-OE1 3.68Å; H1146-E1153 IonicContact ND1-OE1 3.65Å; H1146-E1153 PolarHBondContact ND1-OE1 3.45Å; H1146-E1153 IonicContact ND1-OE2 2.69Å |
| 1147 | V | 92.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 114.9 | 179.2 | -175.8 | 0 | 0 | 0 | 0 | 109.2 | F1093 V1095 L1105 V1107 V1145 I1154 S1157 F1159 | F1093-V1147 HydrophobicContact CE2-CG2 3.88Å; F1093-V1147 HydrophobicContact CZ-CG2 3.87Å; V1095-V1147 HydrophobicContact CG1-CG1 4.27Å; V1095-V1147 HydrophobicContact CG2-CG1 3.94Å; L1105-V1147 HydrophobicContact CD1-CG1 3.88Å; V1107-V1147 HydrophobicContact CG1-CG2 4.41Å; V1107-V1147 HydrophobicContact CG2-CG1 4.36Å; V1107-V1147 HydrophobicContact CG2-CG2 4.36Å; V1145-V1147 HydrophobicContact CG1-CG2 4.21Å; V1147-I1154 HydrophobicContact CB-CD1 3.87Å; V1147-I1154 HydrophobicContact CB-CG1 3.95Å; V1147-I1154 HydrophobicContact CG1-CD1 3.54Å; V1147-I1154 HydrophobicContact CG1-CG1 4.02Å; V1147-I1154 PolarHBondContact O-N 2.8Å; V1147-I1154 VanDerWaalsContact O-N 3.11Å; V1147-S1157 PolarHBondContact N-OG 3.22Å; V1147-S1157 PolarHBondContact O-OG 3.5Å; V1147-F1159 HydrophobicContact CG2-CD2 4.33Å; V1147-F1159 HydrophobicContact CG2-CE2 4.15Å |
| 1148 | L | 89 | Confident | 84.5 | Confident | 32 Ų | 32 | 46.2 Ų | 46.2 | 17% | 0.168 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 120.6 | -166.3 | -65.3 | 157.2 | 0 | 0 | 0 | 110.5 | L1105 N1106 L1108 K1152 E1153 | L1105-L1148 CarbonylContact C-O 3.48Å; L1105-L1148 WeakPolarHBondContact CA-O 3.5Å; N1106-L1148 HydrophobicContact CB-CB 4.38Å; N1106-L1148 PolarHBondContact N-O 3.38Å; N1106-L1148 PolarHBondContact O-N 2.8Å; L1108-L1148 HydrophobicContact CD1-CD1 4.25Å; L1148-K1152 CarbonylContact C-O 3.59Å; L1148-K1152 VanDerWaalsContact CA-O 3.3Å; L1148-K1152 WeakPolarHBondContact CA-O 3.4Å; L1148-E1153 HydrophobicContact CD2-CG 4.09Å |
| 1149 | Y | 81.8 | Confident | 85.1 | Confident | 8 Ų | 8 | 42.5 Ų | 42.5 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 124.6 | 173.9 | -160.2 | -110.3 | 0 | 0 | 0 | 111 | V1073 A1097 A1103 L1104 L1105 Y1130 G1151 K1152 | V1073-Y1149 HydrophobicContact CG2-CD1 3.53Å; V1073-Y1149 HydrophobicContact CG2-CE1 4.11Å; V1073-Y1149 HydrophobicContact CG2-CG 3.83Å; A1097-Y1149 HydrophobicContact CB-CD1 4.4Å; A1097-Y1149 HydrophobicContact CB-CD2 4.19Å; A1097-Y1149 HydrophobicContact CB-CE1 3.88Å; A1097-Y1149 HydrophobicContact CB-CE2 3.65Å; A1097-Y1149 VanDerWaalsContact CB-CZ 3.47Å; A1103-Y1149 HydrophobicContact CB-CD1 4Å; A1103-Y1149 HydrophobicContact CB-CE1 3.66Å; A1103-Y1149 PolarHBondContact N-OH 2.9Å; A1103-Y1149 WeakPolarHBondContact O-CE2 3.33Å; A1103-Y1149 VanDerWaalsContact O-CZ 3.23Å; A1103-Y1149 PolarHBondContact O-OH 3.39Å; A1103-Y1149 VanDerWaalsContact O-OH 3.09Å; L1104-Y1149 WeakPolarHBondContact O-CA 3.43Å; L1105-Y1149 HydrophobicContact CB-CD2 4.05Å; L1105-Y1149 HydrophobicContact CB-CE2 4.34Å; L1105-Y1149 HydrophobicContact CD1-CD2 4.18Å; Y1130-Y1149 HydrophobicContact CE2-CE2 4.48Å; Y1149-G1151 PolarHBondContact O-N 3.11Å; Y1149-K1152 PolarHBondContact N-O 2.96Å; Y1149-K1152 PolarHBondContact O-N 3.47Å |
| 1150 | G | 76.4 | Confident | 85.5 | Confident | 51 Ų | 51 | 44.5 Ų | 44.5 | 53% | 0.526 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 24.6 | -173 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1104 | L1104-G1150 PolarHBondContact O-N 3.22Š|
| 1151 | G | 76.8 | Confident | 85.9 | Confident | 69 Ų | 69 | 43 Ų | 43 | 71% | 0.711 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 12 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y1149 | Y1149-G1151 PolarHBondContact O-N 3.11Š|
| 1152 | K | 79.4 | Confident | 86 | Confident | 149 Ų | 149 | 49.2 Ų | 49.2 | 65% | 0.648 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 142.9 | 173.9 | -66.4 | -175.9 | 178.8 | -179.5 | 0 | 111.5 | A1070 L1148 Y1149 | A1070-K1152 HydrophobicContact CB-CB 4.3Å; L1148-K1152 CarbonylContact C-O 3.59Å; L1148-K1152 VanDerWaalsContact CA-O 3.3Å; L1148-K1152 WeakPolarHBondContact CA-O 3.4Å; Y1149-K1152 PolarHBondContact N-O 2.96Å; Y1149-K1152 PolarHBondContact O-N 3.47Å |
| 1153 | E | 84.6 | Confident | 86.1 | Confident | 77 Ų | 77 | 46.8 Ų | 46.8 | 36% | 0.36 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 136.3 | 170 | -65.9 | -76.1 | 174.2 | 0 | 0 | 110.4 | H1146 L1148 S1157 | H1146-E1153 IonicContact CE1-OE1 2.81Å; H1146-E1153 IonicContact CG-OE1 3.68Å; H1146-E1153 IonicContact ND1-OE1 3.65Å; H1146-E1153 PolarHBondContact ND1-OE1 3.45Å; H1146-E1153 IonicContact ND1-OE2 2.69Å; L1148-E1153 HydrophobicContact CD2-CG 4.09Å; E1153-S1157 WeakPolarHBondContact OE2-CB 3.5Å; E1153-S1157 PolarHBondContact OE2-OG 3.24Å |
| 1154 | I | 92.7 | Very high | 86.1 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -83 | 164.8 | 171.8 | 70.5 | 167 | 0 | 0 | 0 | 110.8 | V1073 A1075 V1095 V1147 N1156 S1157 F1159 | V1073-I1154 HydrophobicContact CB-CB 4.38Å; V1073-I1154 HydrophobicContact CB-CG2 3.85Å; V1073-I1154 HydrophobicContact CG1-CB 4.45Å; V1073-I1154 HydrophobicContact CG1-CD1 4.48Å; V1073-I1154 HydrophobicContact CG1-CG2 3.75Å; A1075-I1154 HydrophobicContact CB-CD1 3.57Å; V1095-I1154 HydrophobicContact CG1-CD1 4.47Å; V1147-I1154 HydrophobicContact CB-CD1 3.87Å; V1147-I1154 HydrophobicContact CB-CG1 3.95Å; V1147-I1154 HydrophobicContact CG1-CD1 3.54Å; V1147-I1154 HydrophobicContact CG1-CG1 4.02Å; V1147-I1154 PolarHBondContact O-N 2.8Å; V1147-I1154 VanDerWaalsContact O-N 3.11Å; I1154-N1156 PolarHBondContact O-N 2.82Å; I1154-S1157 VanDerWaalsContact O-CB 3.24Å; I1154-S1157 WeakPolarHBondContact O-CB 3.26Å; I1154-S1157 PolarHBondContact O-N 3.41Å; I1154-F1159 HydrophobicContact CD1-CE2 4.49Å |
| 1155 | P | 87.1 | Confident | 85.5 | Confident | 55 Ų | 55 | 51.7 Ų | 51.7 | 36% | 0.357 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 135.3 | 174.6 | -27.1 | 35.7 | 0 | 0 | 0 | 113.5 | S1071 V1073 S1157 | S1071-P1155 WeakPolarHBondContact O-CG 3.44Å; V1073-P1155 WeakPolarHBondContact O-CD 3.45Å; P1155-S1157 PolarHBondContact O-N 2.94Å |
| 1156 | N | 86.5 | Confident | 84.7 | Confident | 136 Ų | 136 | 53 Ų | 53 | 73% | 0.727 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 2.8 | -175 | -46.7 | -46.6 | 0 | 0 | 0 | 116.3 | I1154 P1158 F1159 | I1154-N1156 PolarHBondContact O-N 2.82Å; N1156-P1158 CarbonylContact O-C 3.57Å; N1156-F1159 HydrophobicContact CB-CD1 4.38Å; N1156-F1159 HydrophobicContact CB-CE1 3.64Å; N1156-F1159 HydrophobicContact CB-CZ 3.97Å |
| 1157 | S | 90 | Very high | 84.1 | Confident | 20 Ų | 20 | 54.3 Ų | 54.3 | 14% | 0.14 | 31% | 0.309 | C | S | . | . | trans | -84.7 | 143 | 169.1 | -172.3 | 0 | 0 | 0 | 0 | 110.9 | V1147 E1153 I1154 P1155 | V1147-S1157 PolarHBondContact N-OG 3.22Å; V1147-S1157 PolarHBondContact O-OG 3.5Å; E1153-S1157 WeakPolarHBondContact OE2-CB 3.5Å; E1153-S1157 PolarHBondContact OE2-OG 3.24Å; I1154-S1157 VanDerWaalsContact O-CB 3.24Å; I1154-S1157 WeakPolarHBondContact O-CB 3.26Å; I1154-S1157 PolarHBondContact O-N 3.41Å; P1155-S1157 PolarHBondContact O-N 2.94Å | ||
| 1158 | P | 88.5 | Confident | 83.7 | Confident | 51 Ų | 51 | 56.6 Ų | 56.6 | 33% | 0.331 | 32% | 0.32 | S | S | . | . | S | Bend | cis | -73.6 | 142.8 | -5.1 | 29.5 | -35 | 0 | 0 | 0 | 113.7 | V1145 N1156 T1160 | V1145-P1158 CarbonylContact O-C 3.59Å; V1145-P1158 VanDerWaalsContact O-CA 3.31Å; V1145-P1158 WeakPolarHBondContact O-CA 3.44Å; N1156-P1158 CarbonylContact O-C 3.57Å; P1158-T1160 PolarHBondContact O-N 2.88Å |
| 1159 | F | 88.5 | Confident | 83.4 | Confident | 31 Ų | 31 | 56.1 Ų | 56.1 | 14% | 0.136 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 94 | 175.9 | -56.5 | -97.1 | 0 | 0 | 0 | 109.5 | A1075 L1080 V1145 V1147 I1154 N1156 M1161 | A1075-F1159 HydrophobicContact CB-CE2 4.33Å; A1075-F1159 HydrophobicContact CB-CZ 4.14Å; L1080-F1159 HydrophobicContact CB-CD1 4.24Å; L1080-F1159 HydrophobicContact CB-CG 4.44Å; L1080-F1159 HydrophobicContact CD1-CD1 4.25Å; L1080-F1159 HydrophobicContact CD1-CD2 4.27Å; L1080-F1159 HydrophobicContact CD1-CE1 4.07Å; L1080-F1159 HydrophobicContact CD1-CE2 4.11Å; L1080-F1159 HydrophobicContact CD1-CG 4.36Å; L1080-F1159 HydrophobicContact CD1-CZ 4.02Å; L1080-F1159 HydrophobicContact CD2-CB 3.98Å; L1080-F1159 HydrophobicContact CD2-CD1 4.38Å; L1080-F1159 HydrophobicContact CD2-CD2 3.8Å; L1080-F1159 HydrophobicContact CD2-CE2 4.4Å; L1080-F1159 HydrophobicContact CD2-CG 3.81Å; L1080-F1159 HydrophobicContact CG-CG 4.42Å; V1145-F1159 HydrophobicContact CB-CB 4.25Å; V1145-F1159 PolarHBondContact N-O 2.57Å; V1145-F1159 PolarHBondContact O-N 2.79Å; V1147-F1159 HydrophobicContact CG2-CD2 4.33Å; V1147-F1159 HydrophobicContact CG2-CE2 4.15Å; I1154-F1159 HydrophobicContact CD1-CE2 4.49Å; N1156-F1159 HydrophobicContact CB-CD1 4.38Å; N1156-F1159 HydrophobicContact CB-CE1 3.64Å; N1156-F1159 HydrophobicContact CB-CZ 3.97Å; F1159-M1161 HydrophobicContact CB-CE 4.29Å |
| 1160 | T | 85.7 | Confident | 83.4 | Confident | 84 Ų | 84 | 64.3 Ų | 64.3 | 52% | 0.515 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 128.7 | 176.5 | -44.7 | 0 | 0 | 0 | 0 | 111.6 | N1142 P1158 | N1142-T1160 HydrophobicContact CB-CG2 4.22Å; P1158-T1160 PolarHBondContact O-N 2.88Å |
| 1161 | M | 85.5 | Confident | 83.7 | Confident | 4 Ų | 4 | 66 Ų | 66 | 2% | 0.02 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 148.1 | 179.1 | 62.4 | -166.3 | 78.3 | 0 | 0 | 110.6 | P1082 C1085 Y1134 C1143 V1145 F1159 | P1082-M1161 HydrophobicContact CB-CB 4.05Å; P1082-M1161 HydrophobicContact CG-CB 3.96Å; C1085-M1161 HydrophobicContact CB-CB 4.35Å; C1085-M1161 HydrophobicContact CB-CG 3.86Å; C1085-M1161 HydrophobicContact CB-SD 3.64Å; C1085-M1161 VanDerWaalsContact SG-SD 3.62Å; Y1134-M1161 PolarHBondContact OH-SD 3.42Å; Y1134-M1161 VanDerWaalsContact OH-SD 3.38Å; C1143-M1161 HydrophobicContact CB-CG 4.12Å; C1143-M1161 PolarHBondContact N-O 2.86Å; C1143-M1161 PolarHBondContact O-N 2.98Å; V1145-M1161 HydrophobicContact CG2-CE 3.79Å; F1159-M1161 HydrophobicContact CB-CE 4.29Å |
| 1162 | R | 84.1 | Confident | 84 | Confident | 152 Ų | 152 | 63.1 Ų | 63.1 | 57% | 0.574 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 125.2 | 180 | -167.1 | 156 | -163.3 | 159.2 | 9.9 | 110.9 | G1140 M1164 | G1140-R1162 VanDerWaalsContact O-CZ 3.25Å; G1140-R1162 PolarHBondContact O-NE 3.03Å; G1140-R1162 PolarHBondContact O-NH2 2.87Å; R1162-M1164 PolarHBondContact O-N 2.84Å |
| 1163 | V | 83.5 | Confident | 84.2 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.018 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 118.6 | -177 | -168.1 | 0 | 0 | 0 | 0 | 110.4 | Y1087 A1136 P1137 G1140 T1141 C1143 | Y1087-V1163 VanDerWaalsContact N-CG1 3.3Å; A1136-V1163 HydrophobicContact CB-CG1 3.94Å; A1136-V1163 HydrophobicContact CB-CG2 4.47Å; P1137-V1163 HydrophobicContact CG-CG2 3.95Å; P1137-V1163 WeakPolarHBondContact O-CG1 3.31Å; G1140-V1163 PolarHBondContact N-O 3.37Å; T1141-V1163 PolarHBondContact O-N 3.44Å; C1143-V1163 HydrophobicContact CB-CG2 3.66Å |
| 1164 | M | 82.6 | Confident | 84.1 | Confident | 48 Ų | 48 | 57.7 Ų | 57.7 | 24% | 0.236 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -80.7 | 159.6 | 173.4 | -70.9 | -174.6 | -71.4 | 0 | 0 | 111.9 | A1083 C1085 R1086 Y1087 R1162 | A1083-M1164 WeakPolarHBondContact O-CE 3.41Å; C1085-M1164 PolarHBondContact O-N 2.9Å; R1086-M1164 WeakPolarHBondContact CA-O 3.29Å; R1086-M1164 HydrophobicContact CG-CB 3.9Å; R1086-M1164 HydrophobicContact CG-CE 4.29Å; Y1087-M1164 PolarHBondContact N-O 3.22Å; R1162-M1164 PolarHBondContact O-N 2.84Å |
| 1165 | P | 77.3 | Confident | 83.5 | Confident | 66 Ų | 66 | 61 Ų | 61 | 43% | 0.429 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 151.7 | 167.9 | -24.1 | 34.8 | 0 | 0 | 0 | 112.1 | R1086 F1167 | R1086-P1165 WeakPolarHBondContact CG-O 3.46Å; R1086-P1165 PolarHBondContact NH1-O 3.45Å; P1165-F1167 VanDerWaalsContact C-N 3.25Å; P1165-F1167 PolarHBondContact O-N 3.3Å |
| 1166 | A | 74 | Confident | 82.8 | Confident | 29 Ų | 29 | 60.7 Ų | 60.7 | 24% | 0.24 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -57.5 | -38.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y1202 | A1166-Y1202 PolarHBondContact O-N 2.94Š|
| 1167 | F | 80.1 | Confident | 82.2 | Confident | 70 Ų | 70 | 55 Ų | 55 | 31% | 0.307 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -146.4 | 158.6 | 175.9 | 65.9 | -80.8 | 0 | 0 | 0 | 112.2 | P1165 P1169 A1200 A1203 L1247 | P1165-F1167 VanDerWaalsContact C-N 3.25Å; P1165-F1167 PolarHBondContact O-N 3.3Å; F1167-P1169 HydrophobicContact CD2-CG 3.79Å; F1167-P1169 HydrophobicContact CE2-CG 3.86Å; F1167-A1200 CarbonylContact C-O 3.59Å; F1167-A1200 VanDerWaalsContact CA-O 3.22Å; F1167-A1200 WeakPolarHBondContact CA-O 3.41Å; F1167-A1203 HydrophobicContact CB-CB 3.81Å; F1167-A1203 HydrophobicContact CD1-CB 3.57Å; F1167-A1203 HydrophobicContact CD2-CB 3.95Å; F1167-A1203 HydrophobicContact CE1-CB 4.1Å; F1167-A1203 HydrophobicContact CE2-CB 4.45Å; F1167-A1203 HydrophobicContact CG-CB 3.5Å; F1167-A1203 VanDerWaalsContact CG-CB 3.5Å; F1167-L1247 HydrophobicContact CB-CD2 4.11Å; F1167-L1247 HydrophobicContact CD2-CD2 4.37Å; F1167-L1247 HydrophobicContact CD2-CG 4.24Å; F1167-L1247 WeakPolarHBondContact CD2-O 3.44Å; F1167-L1247 WeakPolarHBondContact CE2-O 3.18Å |
| 1168 | E | 84.2 | Confident | 81 | Confident | 49 Ų | 49 | 56.4 Ų | 56.4 | 23% | 0.229 | 31% | 0.305 | C | S | . | . | trans | -140.3 | 86.1 | -174.6 | -68.1 | 175.9 | 82.9 | 0 | 0 | 109.9 | R1086 K1170 K1171 A1200 | R1086-E1168 IonicContact CZ-OE2 3.95Å; R1086-E1168 VanDerWaalsContact CZ-OE2 3.29Å; R1086-E1168 IonicContact NH1-OE2 3.42Å; R1086-E1168 PolarHBondContact NH1-OE2 2.96Å; R1086-E1168 IonicContact NH2-OE2 3.8Å; R1086-E1168 PolarHBondContact NH2-OE2 2.69Å; E1168-K1170 PolarHBondContact O-N 3.39Å; E1168-K1171 HydrophobicContact CB-CB 4.42Å; E1168-K1171 HydrophobicContact CB-CD 4.13Å; E1168-K1171 HydrophobicContact CB-CG 4.28Å; E1168-K1171 PolarHBondContact O-N 3.27Å; E1168-K1171 WeakPolarHBondContact OE1-CE 3.17Å; E1168-K1171 IonicContact OE1-NZ 3.86Å; E1168-K1171 PolarHBondContact OE1-NZ 3.16Å; E1168-K1171 IonicContact OE2-NZ 3.27Å; E1168-K1171 PolarHBondContact OE2-NZ 3.25Å; E1168-A1200 PolarHBondContact N-O 2.66Å | ||
| 1169 | P | 81.8 | Confident | 79.8 | Confident | 22 Ų | 22 | 58.9 Ų | 58.9 | 14% | 0.143 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -55.6 | -32.2 | -170.1 | -27.8 | 35.1 | 0 | 0 | 0 | 114.8 | F1167 K1171 V1172 L1247 | F1167-P1169 HydrophobicContact CD2-CG 3.79Å; F1167-P1169 HydrophobicContact CE2-CG 3.86Å; P1169-K1171 PolarHBondContact O-N 2.85Å; P1169-V1172 WeakPolarHBondContact O-CB 3.48Å; P1169-V1172 WeakPolarHBondContact O-CG2 3.47Å; P1169-V1172 PolarHBondContact O-N 2.83Å; P1169-L1247 HydrophobicContact CB-CB 4.27Å; P1169-L1247 HydrophobicContact CG-CB 4.38Å |
| 1170 | K | 82.2 | Confident | 78.7 | Confident | 179 Ų | 179 | 66.5 Ų | 66.5 | 78% | 0.778 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -72.7 | -5.9 | 179.9 | -62.8 | -173.7 | 177.8 | -175.6 | 0 | 114.2 | E1168 | E1168-K1170 PolarHBondContact O-N 3.39Š|
| 1171 | K | 83.2 | Confident | 78 | Confident | 86 Ų | 86 | 65.2 Ų | 65.2 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -95.4 | -5 | 171.6 | -72.2 | -175.5 | 179 | 165.4 | 0 | 113.8 | E1168 P1169 I1173 Q1199 A1200 | E1168-K1171 HydrophobicContact CB-CB 4.42Å; E1168-K1171 HydrophobicContact CB-CD 4.13Å; E1168-K1171 HydrophobicContact CB-CG 4.28Å; E1168-K1171 PolarHBondContact O-N 3.27Å; E1168-K1171 WeakPolarHBondContact OE1-CE 3.17Å; E1168-K1171 IonicContact OE1-NZ 3.86Å; E1168-K1171 PolarHBondContact OE1-NZ 3.16Å; E1168-K1171 IonicContact OE2-NZ 3.27Å; E1168-K1171 PolarHBondContact OE2-NZ 3.25Å; P1169-K1171 PolarHBondContact O-N 2.85Å; K1171-I1173 PolarHBondContact O-N 3.49Å; K1171-Q1199 WeakPolarHBondContact CD-O 3.45Å; K1171-A1200 HydrophobicContact CB-CB 4.1Å |
| 1172 | V | 82.9 | Confident | 77.5 | Confident | 9 Ų | 9 | 67.5 Ų | 67.5 | 6% | 0.055 | 36% | 0.359 | C | S | . | . | trans | -69.6 | 125.3 | 174.7 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | P1169 V1174 I1195 D1196 T1197 A1200 L1247 V1252 | P1169-V1172 WeakPolarHBondContact O-CB 3.48Å; P1169-V1172 WeakPolarHBondContact O-CG2 3.47Å; P1169-V1172 PolarHBondContact O-N 2.83Å; V1172-V1174 HydrophobicContact CG1-CG2 4.14Å; V1172-I1195 HydrophobicContact CG1-CG2 3.42Å; V1172-I1195 VanDerWaalsContact CG1-CG2 3.42Å; V1172-D1196 WeakPolarHBondContact CA-O 3.46Å; V1172-T1197 HydrophobicContact CG1-CG2 4.33Å; V1172-T1197 HydrophobicContact CG2-CG2 4.36Å; V1172-A1200 HydrophobicContact CB-CB 4.44Å; V1172-A1200 HydrophobicContact CG2-CB 3.46Å; V1172-A1200 VanDerWaalsContact CG2-CB 3.46Å; V1172-L1247 HydrophobicContact CG2-CB 4.2Å; V1172-L1247 HydrophobicContact CG2-CD2 3.64Å; V1172-L1247 HydrophobicContact CG2-CG 4.43Å; V1172-V1252 HydrophobicContact CB-CB 4.43Å; V1172-V1252 HydrophobicContact CB-CG1 3.74Å; V1172-V1252 HydrophobicContact CB-CG2 3.81Å; V1172-V1252 HydrophobicContact CG1-CG1 3.94Å; V1172-V1252 HydrophobicContact CG1-CG2 4.08Å; V1172-V1252 HydrophobicContact CG2-CG2 3.94Å | ||
| 1173 | I | 82.7 | Confident | 77.4 | Confident | 96 Ų | 96 | 62.3 Ų | 62.3 | 49% | 0.492 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 116.9 | -179.6 | -57.9 | 173.5 | 0 | 0 | 0 | 108.4 | K1171 T1175 D1196 | K1171-I1173 PolarHBondContact O-N 3.49Å; I1173-T1175 HydrophobicContact CG2-CG2 4.16Å; I1173-D1196 HydrophobicContact CB-CB 4.27Å; I1173-D1196 PolarHBondContact N-O 2.56Å; I1173-D1196 PolarHBondContact O-N 2.9Å |
| 1174 | V | 84.2 | Confident | 77.5 | Confident | 17 Ų | 17 | 67.6 Ų | 67.6 | 10% | 0.103 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 130 | 179.9 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | V1172 L1193 N1194 I1195 V1252 F1257 | V1172-V1174 HydrophobicContact CG1-CG2 4.14Å; V1174-L1193 HydrophobicContact CG1-CD1 3.51Å; V1174-L1193 HydrophobicContact CG1-CD2 4.03Å; V1174-L1193 HydrophobicContact CG1-CG 3.77Å; V1174-N1194 WeakPolarHBondContact CA-O 3.14Å; V1174-I1195 HydrophobicContact CG1-CG1 4.41Å; V1174-I1195 HydrophobicContact CG2-CG1 4.35Å; V1174-I1195 HydrophobicContact CG2-CG2 4.45Å; V1174-V1252 HydrophobicContact CG2-CG1 3.77Å; V1174-F1257 HydrophobicContact CB-CE1 3.78Å; V1174-F1257 HydrophobicContact CB-CE2 4.35Å; V1174-F1257 HydrophobicContact CB-CZ 3.55Å; V1174-F1257 HydrophobicContact CG1-CD1 4.14Å; V1174-F1257 HydrophobicContact CG1-CE1 3.62Å; V1174-F1257 HydrophobicContact CG1-CE2 4.13Å; V1174-F1257 HydrophobicContact CG1-CZ 3.62Å; V1174-F1257 HydrophobicContact CG2-CE1 4.46Å; V1174-F1257 HydrophobicContact CG2-CE2 4.21Å; V1174-F1257 HydrophobicContact CG2-CZ 3.73Å |
| 1175 | T | 79.8 | Confident | 77.7 | Confident | 74 Ų | 74 | 66.1 Ų | 66.1 | 45% | 0.454 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 162.1 | -177.1 | 62.2 | 0 | 0 | 0 | 0 | 111.7 | I1173 C1177 N1194 | I1173-T1175 HydrophobicContact CG2-CG2 4.16Å; T1175-C1177 VanDerWaalsContact C-N 3.33Å; T1175-N1194 PolarHBondContact N-O 3.4Å; T1175-N1194 PolarHBondContact O-N 3.19Å; T1175-N1194 PolarHBondContact OG1-O 2.83Å |
| 1176 | G | 71.3 | Confident | 78.1 | Confident | 49 Ų | 49 | 66.5 Ų | 66.5 | 51% | 0.505 | 36% | 0.361 | S | S | . | . | S | Bend | trans | 91.8 | -14.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 1177 | C | 73.4 | Confident | 78.4 | Confident | 16 Ų | 16 | 65.8 Ų | 65.8 | 11% | 0.108 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -129 | 145.8 | 172.8 | -172 | 0 | 0 | 0 | 0 | 111.1 | T1175 L1193 F1257 R1258 W1259 | T1175-C1177 VanDerWaalsContact C-N 3.33Å; C1177-L1193 HydrophobicContact CB-CD1 3.66Å; C1177-F1257 HydrophobicContact CB-CB 4.2Å; C1177-F1257 HydrophobicContact CB-CD1 3.98Å; C1177-F1257 HydrophobicContact CB-CG 4.5Å; C1177-R1258 PolarHBondContact SG-N 2.64Å; C1177-R1258 VanDerWaalsContact SG-N 3.39Å; C1177-R1258 PolarHBondContact SG-O 3.18Å; C1177-R1258 VanDerWaalsContact SG-O 3.35Å; C1177-W1259 HydrophobicContact CB-CH2 4.45Å; C1177-W1259 HydrophobicContact CB-CZ2 3.82Å |
| 1178 | S | 65.2 | Low | 78.3 | Confident | 50 Ų | 50 | 64.1 Ų | 64.1 | 35% | 0.35 | 36% | 0.358 | S | S | . | . | trans | -91.3 | 140.2 | 170.6 | 136.5 | 0 | 0 | 0 | 0 | 110.6 | Q1180 A1181 T1183 | S1178-Q1180 PolarHBondContact OG-N 2.91Å; S1178-A1181 VanDerWaalsContact CB-O 3.29Å; S1178-A1181 WeakPolarHBondContact CB-O 3.38Å; S1178-A1181 PolarHBondContact OG-N 3Å; S1178-A1181 PolarHBondContact OG-O 3.47Å; S1178-T1183 PolarHBondContact N-OG1 2.81Å | ||
| 1179 | K | 63.3 | Low | 78.1 | Confident | 103 Ų | 103 | 66.1 Ų | 66.1 | 45% | 0.448 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -77.1 | -26.9 | 178.8 | -63.8 | -168.2 | 176.9 | -166.6 | 0 | 113.9 | F1257 | K1179-F1257 HydrophobicContact CD-CE1 4.48Å; K1179-F1257 HydrophobicContact CG-CD1 4.5Å; K1179-F1257 HydrophobicContact CG-CE1 3.98Å |
| 1180 | Q | 65.1 | Low | 78 | Confident | 190 Ų | 190 | 69.9 Ų | 69.9 | 89% | 0.888 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -103.4 | -35.9 | -169.8 | -68.9 | 178.2 | -22 | 0 | 0 | 114 | S1178 | S1178-Q1180 PolarHBondContact OG-N 2.91Š|
| 1181 | A | 71.1 | Confident | 78.1 | Confident | 57 Ų | 57 | 61.7 Ų | 61.7 | 47% | 0.471 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -122.4 | 138 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | S1178 T1183 | S1178-A1181 VanDerWaalsContact CB-O 3.29Å; S1178-A1181 WeakPolarHBondContact CB-O 3.38Å; S1178-A1181 PolarHBondContact OG-N 3Å; S1178-A1181 PolarHBondContact OG-O 3.47Å; A1181-T1183 PolarHBondContact O-N 2.82Å |
| 1182 | P | 76.1 | Confident | 78 | Confident | 52 Ų | 52 | 59.6 Ų | 59.6 | 34% | 0.338 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 127.9 | -179.9 | 27.6 | -34.6 | 0 | 0 | 0 | 110.8 | I1184 R1258 K1260 | P1182-I1184 PolarHBondContact O-N 2.93Å; P1182-R1258 CarbonylContact C-O 3.57Å; P1182-R1258 VanDerWaalsContact CA-O 3.3Å; P1182-R1258 WeakPolarHBondContact CA-O 3.36Å; P1182-R1258 HydrophobicContact CB-CB 3.87Å; P1182-K1260 HydrophobicContact CB-CB 4.11Å; P1182-K1260 HydrophobicContact CG-CB 4.23Å |
| 1183 | T | 81.8 | Confident | 78.2 | Confident | 43 Ų | 43 | 59.3 Ų | 59.3 | 26% | 0.264 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 127.5 | 177.5 | -64 | 0 | 0 | 0 | 0 | 109.7 | S1178 A1181 V1185 R1258 W1259 K1260 | S1178-T1183 PolarHBondContact N-OG1 2.81Å; A1181-T1183 PolarHBondContact O-N 2.82Å; T1183-V1185 HydrophobicContact CG2-CG2 4.49Å; T1183-R1258 PolarHBondContact N-O 2.96Å; T1183-W1259 CarbonylContact O-C 3.51Å; T1183-W1259 WeakPolarHBondContact O-CA 3.43Å; T1183-K1260 PolarHBondContact O-N 3.25Å |
| 1184 | I | 85 | Confident | 78.3 | Confident | 114 Ų | 114 | 57 Ų | 57 | 59% | 0.585 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 136.1 | -180 | -59.4 | 176.6 | 0 | 0 | 0 | 109.7 | P1182 K1260 L1262 | P1182-I1184 PolarHBondContact O-N 2.93Å; I1184-K1260 WeakPolarHBondContact CA-O 3.49Å; I1184-L1262 HydrophobicContact CG2-CD1 3.59Å; I1184-L1262 HydrophobicContact CG2-CG 3.97Å |
| 1185 | V | 86.9 | Confident | 78.5 | Confident | 17 Ų | 17 | 56.3 Ų | 56.3 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 164.4 | 179.1 | -145.1 | 0 | 0 | 0 | 0 | 108.5 | T1183 E1189 V1191 W1259 K1260 V1261 L1262 | T1183-V1185 HydrophobicContact CG2-CG2 4.49Å; V1185-E1189 HydrophobicContact CG1-CB 3.95Å; V1185-E1189 WeakPolarHBondContact CG1-OE2 3.4Å; V1185-V1191 HydrophobicContact CB-CG2 4.35Å; V1185-V1191 HydrophobicContact CG1-CG2 3.88Å; V1185-V1191 HydrophobicContact CG2-CG2 3.96Å; V1185-W1259 HydrophobicContact CG2-CB 4.11Å; V1185-W1259 HydrophobicContact CG2-CG 4.2Å; V1185-K1260 PolarHBondContact N-O 3.11Å; V1185-K1260 VanDerWaalsContact N-O 3.14Å; V1185-V1261 CarbonylContact O-C 3.42Å; V1185-V1261 VanDerWaalsContact O-CA 3.31Å; V1185-V1261 WeakPolarHBondContact O-CA 3.28Å; V1185-L1262 PolarHBondContact O-N 3.39Å |
| 1186 | H | 85.1 | Confident | 78.7 | Confident | 75 Ų | 75 | 54.2 Ų | 54.2 | 35% | 0.347 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 152.3 | 170.6 | -70 | -90.3 | 0 | 0 | 0 | 113.2 | G1188 E1189 L1262 V1264 | H1186-G1188 PolarHBondContact O-N 3.24Å; H1186-E1189 HydrophobicContact CB-CG 3.99Å; H1186-E1189 WeakPolarHBondContact CB-OE2 3.43Å; H1186-E1189 IonicContact CD2-OE2 2.62Å; H1186-E1189 IonicContact CG-OE2 2.62Å; H1186-E1189 PolarHBondContact N-OE2 3.3Å; H1186-E1189 WeakPolarHBondContact O-CB 3.44Å; H1186-E1189 PolarHBondContact O-N 3.39Å; H1186-L1262 CarbonylContact C-O 3.55Å; H1186-L1262 WeakPolarHBondContact CA-O 3.25Å; H1186-V1264 HydrophobicContact CB-CG2 3.73Å |
| 1187 | A | 81.7 | Confident | 79.2 | Confident | 13 Ų | 13 | 52.9 Ų | 52.9 | 11% | 0.107 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 121.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | P1235 V1261 L1262 V1264 G1344 | A1187-P1235 CarbonylContact C-O 3.54Å; A1187-P1235 WeakPolarHBondContact CA-O 3.15Å; A1187-V1261 HydrophobicContact CB-CG1 3.87Å; A1187-L1262 PolarHBondContact N-O 3.04Å; A1187-V1264 WeakPolarHBondContact O-CG2 3.38Å; A1187-G1344 WeakPolarHBondContact CB-O 3.37Å |
| 1188 | G | 77.5 | Confident | 79.3 | Confident | 36 Ų | 36 | 55 Ų | 55 | 37% | 0.371 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.8 | -10.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | H1186 V1234 P1235 | H1186-G1188 PolarHBondContact O-N 3.24Å; G1188-V1234 WeakPolarHBondContact O-CG1 3.5Å; G1188-P1235 PolarHBondContact N-O 3.24Å |
| 1189 | E | 80 | Confident | 79.8 | Confident | 90 Ų | 90 | 58.5 Ų | 58.5 | 42% | 0.421 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -79.3 | 132.9 | 172.6 | -67.2 | -176.6 | 143 | 0 | 0 | 111 | V1185 H1186 V1191 P1235 | V1185-E1189 HydrophobicContact CG1-CB 3.95Å; V1185-E1189 WeakPolarHBondContact CG1-OE2 3.4Å; H1186-E1189 HydrophobicContact CB-CG 3.99Å; H1186-E1189 WeakPolarHBondContact CB-OE2 3.43Å; H1186-E1189 IonicContact CD2-OE2 2.62Å; H1186-E1189 IonicContact CG-OE2 2.62Å; H1186-E1189 PolarHBondContact N-OE2 3.3Å; H1186-E1189 WeakPolarHBondContact O-CB 3.44Å; H1186-E1189 PolarHBondContact O-N 3.39Å; E1189-V1191 PolarHBondContact O-N 3.19Å; E1189-P1235 VanDerWaalsContact O-CD 3.29Å; E1189-P1235 WeakPolarHBondContact O-CD 3.38Å |
| 1190 | P | 80.7 | Confident | 80.5 | Confident | 101 Ų | 101 | 53.6 Ų | 53.6 | 66% | 0.656 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 127.1 | 178.2 | 27.7 | -33.7 | 0 | 0 | 0 | 111.9 | V1234 | P1190-V1234 HydrophobicContact CB-CG2 4.17Š|
| 1191 | V | 84 | Confident | 80.9 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 127.5 | 174.1 | 175.4 | 0 | 0 | 0 | 0 | 109.3 | V1185 E1189 S1232 F1233 P1235 W1259 | V1185-V1191 HydrophobicContact CB-CG2 4.35Å; V1185-V1191 HydrophobicContact CG1-CG2 3.88Å; V1185-V1191 HydrophobicContact CG2-CG2 3.96Å; E1189-V1191 PolarHBondContact O-N 3.19Å; V1191-S1232 CarbonylContact O-C 3.54Å; V1191-S1232 VanDerWaalsContact O-CA 3.24Å; V1191-S1232 WeakPolarHBondContact O-CA 3.4Å; V1191-F1233 HydrophobicContact CB-CD1 4.07Å; V1191-F1233 HydrophobicContact CB-CE1 3.73Å; V1191-F1233 HydrophobicContact CB-CE2 4.32Å; V1191-F1233 HydrophobicContact CB-CZ 3.87Å; V1191-F1233 HydrophobicContact CG1-CD1 4.16Å; V1191-F1233 HydrophobicContact CG1-CE1 3.45Å; V1191-F1233 VanDerWaalsContact CG1-CE1 3.45Å; V1191-F1233 HydrophobicContact CG1-CZ 3.76Å; V1191-F1233 HydrophobicContact CG2-CE2 4.44Å; V1191-F1233 HydrophobicContact CG2-CZ 4.22Å; V1191-F1233 PolarHBondContact N-O 3.21Å; V1191-F1233 PolarHBondContact O-N 2.85Å; V1191-P1235 HydrophobicContact CG2-CG 4.02Å; V1191-W1259 HydrophobicContact CG1-CD2 4.15Å; V1191-W1259 VanDerWaalsContact CG1-CE2 3.44Å; V1191-W1259 HydrophobicContact CG1-CG 4.38Å; V1191-W1259 HydrophobicContact CG1-CZ2 3.69Å; V1191-W1259 VanDerWaalsContact CG1-NE1 3.3Å |
| 1192 | S | 81.1 | Confident | 80.9 | Confident | 42 Ų | 42 | 51.8 Ų | 51.8 | 29% | 0.294 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 138.1 | 169.7 | -75.9 | 0 | 0 | 0 | 0 | 112.2 | E1230 L1231 | S1192-E1230 WeakPolarHBondContact CB-OE1 3.46Å; S1192-E1230 PolarHBondContact OG-OE1 2.65Å; S1192-L1231 CarbonylContact C-O 3.57Å; S1192-L1231 WeakPolarHBondContact CA-O 3.42Å |
| 1193 | L | 85.8 | Confident | 80.7 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 117 | 171.5 | -171 | 79.9 | 0 | 0 | 0 | 107.9 | V1174 C1177 I1195 L1231 V1245 W1259 | V1174-L1193 HydrophobicContact CG1-CD1 3.51Å; V1174-L1193 HydrophobicContact CG1-CD2 4.03Å; V1174-L1193 HydrophobicContact CG1-CG 3.77Å; C1177-L1193 HydrophobicContact CB-CD1 3.66Å; L1193-I1195 HydrophobicContact CD2-CD1 4.11Å; L1193-I1195 HydrophobicContact CD2-CG1 4.28Å; L1193-I1195 HydrophobicContact CG-CG1 4.4Å; L1193-L1231 PolarHBondContact N-O 2.94Å; L1193-L1231 PolarHBondContact O-N 2.87Å; L1193-V1245 HydrophobicContact CD2-CG2 4.17Å; L1193-W1259 HydrophobicContact CB-CZ2 4.41Å; L1193-W1259 HydrophobicContact CD1-CH2 4.01Å; L1193-W1259 HydrophobicContact CD1-CZ2 3.83Å; L1193-W1259 HydrophobicContact CD2-CH2 4.5Å |
| 1194 | N | 84.8 | Confident | 80.4 | Confident | 49 Ų | 49 | 52.4 Ų | 52.4 | 26% | 0.262 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130.7 | 177.4 | -69.5 | -94.9 | 0 | 0 | 0 | 109.4 | V1174 T1175 K1224 D1229 | V1174-N1194 WeakPolarHBondContact CA-O 3.14Å; T1175-N1194 PolarHBondContact N-O 3.4Å; T1175-N1194 PolarHBondContact O-N 3.19Å; T1175-N1194 PolarHBondContact OG1-O 2.83Å; N1194-K1224 PolarHBondContact OD1-NZ 2.93Å; N1194-D1229 CarbonylContact C-O 3.54Å; N1194-D1229 WeakPolarHBondContact CA-O 3.36Å |
| 1195 | I | 88 | Confident | 80.2 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 111.4 | -173.7 | -58 | -177.4 | 0 | 0 | 0 | 108.2 | V1172 V1174 L1193 T1197 L1205 V1207 Q1228 D1229 L1231 V1245 | V1172-I1195 HydrophobicContact CG1-CG2 3.42Å; V1172-I1195 VanDerWaalsContact CG1-CG2 3.42Å; V1174-I1195 HydrophobicContact CG1-CG1 4.41Å; V1174-I1195 HydrophobicContact CG2-CG1 4.35Å; V1174-I1195 HydrophobicContact CG2-CG2 4.45Å; L1193-I1195 HydrophobicContact CD2-CD1 4.11Å; L1193-I1195 HydrophobicContact CD2-CG1 4.28Å; L1193-I1195 HydrophobicContact CG-CG1 4.4Å; I1195-T1197 HydrophobicContact CG2-CG2 4.15Å; I1195-L1205 HydrophobicContact CD1-CD1 4.37Å; I1195-L1205 HydrophobicContact CD1-CD2 4.19Å; I1195-L1205 HydrophobicContact CG2-CD1 4.04Å; I1195-L1205 HydrophobicContact CG2-CD2 4.23Å; I1195-V1207 HydrophobicContact CD1-CG2 3.89Å; I1195-Q1228 CarbonylContact O-C 3.58Å; I1195-Q1228 WeakPolarHBondContact O-CA 3.29Å; I1195-D1229 PolarHBondContact N-O 2.71Å; I1195-D1229 PolarHBondContact O-N 2.81Å; I1195-L1231 HydrophobicContact CD1-CD1 3.62Å; I1195-L1231 HydrophobicContact CG1-CD1 4.38Å; I1195-V1245 HydrophobicContact CD1-CG1 3.94Å; I1195-V1245 HydrophobicContact CD1-CG2 4.19Å |
| 1196 | D | 84 | Confident | 79.9 | Confident | 30 Ų | 30 | 53.7 Ų | 53.7 | 16% | 0.16 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 115 | 175.7 | -171.2 | -35.9 | 0 | 0 | 0 | 109.7 | V1172 I1173 S1198 Q1228 | V1172-D1196 WeakPolarHBondContact CA-O 3.46Å; I1173-D1196 HydrophobicContact CB-CB 4.27Å; I1173-D1196 PolarHBondContact N-O 2.56Å; I1173-D1196 PolarHBondContact O-N 2.9Å; D1196-S1198 WeakPolarHBondContact OD1-CB 3.41Å; D1196-S1198 PolarHBondContact OD1-N 2.95Å; D1196-S1198 PolarHBondContact OD1-OG 2.84Å; D1196-Q1228 HydrophobicContact CB-CG 4.14Å; D1196-Q1228 WeakPolarHBondContact OD2-CG 3.39Å; D1196-Q1228 PolarHBondContact OD2-NE2 3.21Å |
| 1197 | T | 82.8 | Confident | 79.9 | Confident | 22 Ų | 22 | 52 Ų | 52 | 14% | 0.135 | 29% | 0.292 | C | S | . | . | trans | -101.5 | -0.3 | 178.9 | 62.7 | 0 | 0 | 0 | 0 | 112.8 | V1172 I1195 Q1199 A1200 G1227 | V1172-T1197 HydrophobicContact CG1-CG2 4.33Å; V1172-T1197 HydrophobicContact CG2-CG2 4.36Å; I1195-T1197 HydrophobicContact CG2-CG2 4.15Å; T1197-Q1199 PolarHBondContact O-N 2.96Å; T1197-A1200 WeakPolarHBondContact O-CB 3.29Å; T1197-A1200 PolarHBondContact O-N 2.83Å; T1197-G1227 PolarHBondContact N-O 3.09Å; T1197-G1227 PolarHBondContact OG1-O 2.88Å | ||
| 1198 | S | 75.6 | Confident | 80 | Confident | 60 Ų | 60 | 55.1 Ų | 55.1 | 42% | 0.42 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -29.8 | -169.3 | 66.4 | 0 | 0 | 0 | 0 | 114.4 | D1196 | D1196-S1198 WeakPolarHBondContact OD1-CB 3.41Å; D1196-S1198 PolarHBondContact OD1-N 2.95Å; D1196-S1198 PolarHBondContact OD1-OG 2.84Å |
| 1199 | Q | 76.5 | Confident | 80.5 | Confident | 124 Ų | 124 | 53.7 Ų | 53.7 | 58% | 0.579 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -7.7 | 176.7 | -59.4 | -54.7 | -59.2 | 0 | 0 | 113.7 | K1171 T1197 | K1171-Q1199 WeakPolarHBondContact CD-O 3.45Å; T1197-Q1199 PolarHBondContact O-N 2.96Å |
| 1200 | A | 77.2 | Confident | 80.7 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -11.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F1167 E1168 K1171 V1172 T1197 L1247 | F1167-A1200 CarbonylContact C-O 3.59Å; F1167-A1200 VanDerWaalsContact CA-O 3.22Å; F1167-A1200 WeakPolarHBondContact CA-O 3.41Å; E1168-A1200 PolarHBondContact N-O 2.66Å; K1171-A1200 HydrophobicContact CB-CB 4.1Å; V1172-A1200 HydrophobicContact CB-CB 4.44Å; V1172-A1200 HydrophobicContact CG2-CB 3.46Å; V1172-A1200 VanDerWaalsContact CG2-CB 3.46Å; T1197-A1200 WeakPolarHBondContact O-CB 3.29Å; T1197-A1200 PolarHBondContact O-N 2.83Å; A1200-L1247 HydrophobicContact CB-CD2 3.77Å |
| 1201 | G | 72.9 | Confident | 81 | Confident | 18 Ų | 18 | 49.2 Ų | 49.2 | 19% | 0.186 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | 76.5 | -174.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1202 | Y | 71.6 | Confident | 81.1 | Confident | 191 Ų | 191 | 51.1 Ų | 51.1 | 75% | 0.749 | 27% | 0.272 | S | S | * | . | trans | -109.7 | 121.4 | -165.9 | -175.8 | -94.4 | 0 | 0 | 0 | 112.7 | A1166 | A1166-Y1202 PolarHBondContact O-N 2.94Š| ||
| 1203 | A | 72.7 | Confident | 81.1 | Confident | 15 Ų | 15 | 53.9 Ų | 53.9 | 12% | 0.124 | 28% | 0.28 | C | S | . | . | trans | -159.4 | 167.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | F1167 L1205 L1247 | F1167-A1203 HydrophobicContact CB-CB 3.81Å; F1167-A1203 HydrophobicContact CD1-CB 3.57Å; F1167-A1203 HydrophobicContact CD2-CB 3.95Å; F1167-A1203 HydrophobicContact CE1-CB 4.1Å; F1167-A1203 HydrophobicContact CE2-CB 4.45Å; F1167-A1203 HydrophobicContact CG-CB 3.5Å; F1167-A1203 VanDerWaalsContact CG-CB 3.5Å; A1203-L1205 PolarHBondContact O-N 2.93Å; A1203-L1247 HydrophobicContact CB-CD1 4.26Å; A1203-L1247 HydrophobicContact CB-CG 4.17Å; A1203-L1247 VanDerWaalsContact O-CD1 3.24Å; A1203-L1247 WeakPolarHBondContact O-CD1 3.38Å | ||
| 1204 | P | 73.8 | Confident | 80.7 | Confident | 92 Ų | 92 | 56 Ų | 56 | 60% | 0.597 | 30% | 0.303 | S | S | * | . | trans | -61.3 | 124.7 | 179.4 | -24.1 | 35.2 | 0 | 0 | 0 | 112.4 | G1248 | P1204-G1248 PolarHBondContact O-N 2.92Š| ||
| 1205 | L | 80.6 | Confident | 80.5 | Confident | 44 Ų | 44 | 55.8 Ų | 55.8 | 23% | 0.23 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 133.6 | 172.4 | -176.1 | 67.9 | 0 | 0 | 0 | 109.8 | I1195 A1203 D1229 V1245 | I1195-L1205 HydrophobicContact CD1-CD1 4.37Å; I1195-L1205 HydrophobicContact CD1-CD2 4.19Å; I1195-L1205 HydrophobicContact CG2-CD1 4.04Å; I1195-L1205 HydrophobicContact CG2-CD2 4.23Å; A1203-L1205 PolarHBondContact O-N 2.93Å; L1205-D1229 HydrophobicContact CD2-CB 4.13Å; L1205-V1245 HydrophobicContact CD1-CG1 3.97Å |
| 1206 | Q | 81 | Confident | 79.9 | Confident | 114 Ų | 114 | 59.9 Ų | 59.9 | 53% | 0.533 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 137.4 | 174 | -59.5 | -179 | 6.5 | 0 | 0 | 110.3 | V1245 K1246 | Q1206-V1245 WeakPolarHBondContact O-CA 3.34Å; Q1206-K1246 HydrophobicContact CB-CB 4.34Å; Q1206-K1246 PolarHBondContact N-O 3.38Å; Q1206-K1246 PolarHBondContact O-N 2.9Å |
| 1207 | V | 85.9 | Confident | 79.6 | Confident | 39 Ų | 39 | 61.3 Ų | 61.3 | 24% | 0.236 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 124.4 | 174.8 | -173.5 | 0 | 0 | 0 | 0 | 109.6 | I1195 I1209 L1231 Q1244 V1245 | I1195-V1207 HydrophobicContact CD1-CG2 3.89Å; V1207-I1209 HydrophobicContact CG1-CG1 4.16Å; V1207-L1231 HydrophobicContact CB-CD2 3.61Å; V1207-L1231 HydrophobicContact CG1-CD2 3.98Å; V1207-L1231 HydrophobicContact CG2-CD1 3.87Å; V1207-L1231 HydrophobicContact CG2-CD2 3.69Å; V1207-L1231 HydrophobicContact CG2-CG 4.45Å; V1207-Q1244 WeakPolarHBondContact CA-O 3.46Å; V1207-V1245 HydrophobicContact CG1-CG2 4.2Å; V1207-V1245 HydrophobicContact CG2-CG1 4.27Å; V1207-V1245 HydrophobicContact CG2-CG2 4.12Å |
| 1208 | L | 84.3 | Confident | 79.1 | Confident | 80 Ų | 80 | 68.1 Ų | 68.1 | 42% | 0.419 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 126.9 | 171.2 | 178.6 | 65.9 | 0 | 0 | 0 | 108.5 | A1243 Q1244 | L1208-A1243 CarbonylContact O-C 3.59Å; L1208-A1243 VanDerWaalsContact O-CA 3.24Å; L1208-A1243 WeakPolarHBondContact O-CA 3.1Å; L1208-Q1244 PolarHBondContact N-O 2.85Å; L1208-Q1244 PolarHBondContact O-N 2.85Å |
| 1209 | I | 87.9 | Confident | 79.2 | Confident | 5 Ų | 5 | 66.3 Ų | 66.3 | 3% | 0.026 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 137.5 | 172.9 | -49.9 | -167.1 | 0 | 0 | 0 | 108.8 | V1207 S1216 L1217 A1219 F1233 Y1241 E1242 A1243 | V1207-I1209 HydrophobicContact CG1-CG1 4.16Å; I1209-S1216 CarbonylContact O-C 3.55Å; I1209-S1216 VanDerWaalsContact O-CA 3.29Å; I1209-S1216 WeakPolarHBondContact O-CA 3.45Å; I1209-L1217 HydrophobicContact CB-CB 4.3Å; I1209-L1217 HydrophobicContact CG2-CB 4.29Å; I1209-L1217 PolarHBondContact O-N 2.99Å; I1209-A1219 HydrophobicContact CD1-CB 3.8Å; I1209-F1233 HydrophobicContact CD1-CD1 3.51Å; I1209-F1233 HydrophobicContact CD1-CE1 3.68Å; I1209-F1233 HydrophobicContact CD1-CG 4.11Å; I1209-F1233 HydrophobicContact CD1-CZ 4.4Å; I1209-F1233 HydrophobicContact CG2-CE2 4.49Å; I1209-F1233 HydrophobicContact CG2-CZ 4.36Å; I1209-Y1241 HydrophobicContact CG2-CD1 4.35Å; I1209-E1242 CarbonylContact C-O 3.54Å; I1209-E1242 WeakPolarHBondContact CA-O 3.43Å; I1209-A1243 HydrophobicContact CD1-CB 4.45Å; I1209-A1243 HydrophobicContact CG1-CB 3.92Å |
| 1210 | K | 84.6 | Confident | 79.2 | Confident | 85 Ų | 85 | 67.2 Ų | 67.2 | 37% | 0.37 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 141.9 | 171.4 | -67 | 179.1 | -177.3 | 173 | 0 | 111 | L1215 Y1241 E1242 | K1210-L1215 CarbonylContact C-O 3.57Å; K1210-L1215 VanDerWaalsContact CA-O 3.3Å; K1210-L1215 WeakPolarHBondContact CA-O 3.15Å; K1210-Y1241 WeakPolarHBondContact O-CA 3.28Å; K1210-Y1241 WeakPolarHBondContact O-CD1 3.5Å; K1210-E1242 PolarHBondContact N-O 2.87Å; K1210-E1242 PolarHBondContact O-N 3.18Å; K1210-E1242 VanDerWaalsContact O-N 3.11Å |
| 1211 | D | 86.5 | Confident | 79.3 | Confident | 13 Ų | 13 | 71.1 Ų | 71.1 | 7% | 0.07 | 38% | 0.381 | C | S | . | . | trans | -82 | 174.2 | 170.7 | 81.4 | 3.8 | 0 | 0 | 0 | 112.2 | E1213 G1214 L1215 Y1241 | D1211-E1213 PolarHBondContact O-N 3.43Å; D1211-E1213 VanDerWaalsContact O-N 3.09Å; D1211-E1213 WeakPolarHBondContact OD1-CA 3.33Å; D1211-E1213 PolarHBondContact OD1-N 2.99Å; D1211-G1214 PolarHBondContact O-N 2.89Å; D1211-G1214 PolarHBondContact OD1-N 2.94Å; D1211-L1215 PolarHBondContact N-O 2.8Å; D1211-L1215 PolarHBondContact OD1-N 2.67Å; D1211-Y1241 HydrophobicContact CB-CD1 4.16Å; D1211-Y1241 HydrophobicContact CB-CE1 3.57Å | ||
| 1212 | P | 85.5 | Confident | 79.3 | Confident | 47 Ų | 47 | 72.7 Ų | 72.7 | 31% | 0.305 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -10.5 | -178.5 | -21.4 | 33.9 | 0 | 0 | 0 | 114.9 | I1237 I1240 Y1241 | P1212-I1237 HydrophobicContact CG-CB 4.46Å; P1212-I1237 HydrophobicContact CG-CG2 4.13Å; P1212-I1240 VanDerWaalsContact CA-O 3.31Å; P1212-I1240 WeakPolarHBondContact CA-O 3.26Å; P1212-Y1241 HydrophobicContact CG-CD2 4.03Å; P1212-Y1241 HydrophobicContact CG-CE2 3.77Å |
| 1213 | E | 81.2 | Confident | 79 | Confident | 99 Ų | 99 | 70.7 Ų | 70.7 | 46% | 0.463 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 3 | 179.6 | -71 | 166.2 | -150.7 | 0 | 0 | 111.4 | D1211 R1342 | D1211-E1213 PolarHBondContact O-N 3.43Å; D1211-E1213 VanDerWaalsContact O-N 3.09Å; D1211-E1213 WeakPolarHBondContact OD1-CA 3.33Å; D1211-E1213 PolarHBondContact OD1-N 2.99Å; E1213-R1342 IonicContact OE1-CZ 2.78Å; E1213-R1342 IonicContact OE1-NH1 3.27Å; E1213-R1342 PolarHBondContact OE1-NH1 2.83Å; E1213-R1342 IonicContact OE1-NH2 3.48Å; E1213-R1342 PolarHBondContact OE1-NH2 3.05Å; E1213-R1342 IonicContact OE2-CZ 2.76Å; E1213-R1342 IonicContact OE2-NH2 3.7Å; E1213-R1342 PolarHBondContact OE2-NH2 2.93Å |
| 1214 | G | 77.6 | Confident | 78.6 | Confident | 47 Ų | 47 | 73.9 Ų | 73.9 | 49% | 0.485 | 40% | 0.396 | S | S | . | . | S | Bend | trans | 88.4 | 1.7 | 174 | 0 | 0 | 0 | 0 | 0 | 114.7 | D1211 | D1211-G1214 PolarHBondContact O-N 2.89Å; D1211-G1214 PolarHBondContact OD1-N 2.94Å |
| 1215 | L | 80.1 | Confident | 77.8 | Confident | 45 Ų | 45 | 73.9 Ų | 73.9 | 24% | 0.236 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 144.5 | 179.7 | -63 | 170.9 | 0 | 0 | 0 | 110.4 | K1210 D1211 L1305 | K1210-L1215 CarbonylContact C-O 3.57Å; K1210-L1215 VanDerWaalsContact CA-O 3.3Å; K1210-L1215 WeakPolarHBondContact CA-O 3.15Å; D1211-L1215 PolarHBondContact N-O 2.8Å; D1211-L1215 PolarHBondContact OD1-N 2.67Å; L1215-L1305 HydrophobicContact CD1-CD1 3.77Å |
| 1216 | S | 76.6 | Confident | 76.8 | Confident | 87 Ų | 87 | 78.4 Ų | 78.4 | 61% | 0.608 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 124 | -178.6 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | I1209 | I1209-S1216 CarbonylContact O-C 3.55Å; I1209-S1216 VanDerWaalsContact O-CA 3.29Å; I1209-S1216 WeakPolarHBondContact O-CA 3.45Å |
| 1217 | L | 76.3 | Confident | 75.8 | Confident | 60 Ų | 60 | 74 Ų | 74 | 31% | 0.314 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 135.9 | -178.7 | -168.7 | 76 | 0 | 0 | 0 | 111 | I1209 F1233 Y1241 | I1209-L1217 HydrophobicContact CB-CB 4.3Å; I1209-L1217 HydrophobicContact CG2-CB 4.29Å; I1209-L1217 PolarHBondContact O-N 2.99Å; L1217-F1233 HydrophobicContact CD2-CB 4.05Å; L1217-F1233 HydrophobicContact CD2-CD2 3.44Å; L1217-F1233 VanDerWaalsContact CD2-CD2 3.44Å; L1217-F1233 HydrophobicContact CD2-CE2 4.17Å; L1217-F1233 HydrophobicContact CD2-CG 4.02Å; L1217-Y1241 HydrophobicContact CD2-CE1 4.15Å |
| 1218 | L | 73 | Confident | 75.4 | Confident | 166 Ų | 166 | 76.6 Ų | 76.6 | 87% | 0.869 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -82 | 126.5 | 172.2 | -172.1 | 70.7 | 0 | 0 | 0 | 110.4 | ||
| 1219 | A | 76.7 | Confident | 75 | Confident | 22 Ų | 22 | 73.7 Ų | 73.7 | 18% | 0.182 | 40% | 0.402 | C | S | . | . | trans | -104 | 150.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1209 H1221 L1231 F1233 | I1209-A1219 HydrophobicContact CD1-CB 3.8Å; A1219-H1221 PolarHBondContact O-N 3.45Å; A1219-L1231 HydrophobicContact CB-CB 4.45Å; A1219-L1231 HydrophobicContact CB-CD2 4.15Å; A1219-F1233 HydrophobicContact CB-CB 4.18Å | ||
| 1220 | K | 76.8 | Confident | 74.9 | Confident | 142 Ų | 142 | 75.7 Ų | 75.7 | 62% | 0.617 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 108 | 172.2 | 177.6 | -169.3 | 170.9 | -168.9 | 0 | 109.5 | L1231 S1232 | K1220-L1231 WeakPolarHBondContact O-CA 3.45Å; K1220-S1232 PolarHBondContact N-O 2.89Å; K1220-S1232 PolarHBondContact O-N 2.87Å; K1220-S1232 PolarHBondContact O-OG 2.83Å |
| 1221 | H | 80 | Confident | 74.8 | Confident | 82 Ų | 82 | 72.3 Ų | 72.3 | 38% | 0.38 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 139.3 | 170.4 | -171.7 | -134 | 0 | 0 | 0 | 111.3 | A1219 E1223 D1229 E1230 | A1219-H1221 PolarHBondContact O-N 3.45Å; H1221-E1223 VanDerWaalsContact CE1-CG 3.4Å; H1221-E1223 WeakPolarHBondContact CE1-CG 3.41Å; H1221-E1223 IonicContact CE1-OE1 2.78Å; H1221-D1229 WeakPolarHBondContact NE2-CB 3.45Å; H1221-E1230 CarbonylContact C-O 3.57Å |
| 1222 | T | 73.7 | Confident | 74.7 | Confident | 52 Ų | 52 | 72.9 Ų | 72.9 | 32% | 0.319 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 100.9 | 176.8 | -49.5 | 0 | 0 | 0 | 0 | 108.9 | E1230 | T1222-E1230 PolarHBondContact N-O 2.75Å; T1222-E1230 PolarHBondContact O-N 3.04Å |
| 1223 | E | 65.2 | Low | 74.7 | Confident | 149 Ų | 149 | 71.2 Ų | 71.2 | 70% | 0.696 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 138 | 175.5 | -63.4 | 171.8 | -175.2 | 0 | 0 | 110.3 | H1221 D1229 | H1221-E1223 VanDerWaalsContact CE1-CG 3.4Å; H1221-E1223 WeakPolarHBondContact CE1-CG 3.41Å; H1221-E1223 IonicContact CE1-OE1 2.78Å; E1223-D1229 WeakPolarHBondContact CA-OD1 3.38Å |
| 1224 | K | 62.8 | Low | 74.8 | Confident | 81 Ų | 81 | 69.8 Ų | 69.8 | 35% | 0.352 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 159.5 | 169.4 | -41.7 | 166.6 | -178.6 | 167.5 | 0 | 109.3 | N1194 Q1228 E1230 | N1194-K1224 PolarHBondContact OD1-NZ 2.93Å; K1224-Q1228 WeakPolarHBondContact CA-O 3.34Å; K1224-Q1228 WeakPolarHBondContact CB-O 3.38Å; K1224-Q1228 VanDerWaalsContact CG-O 3.27Å; K1224-Q1228 WeakPolarHBondContact CG-O 3.45Å; K1224-Q1228 PolarHBondContact N-O 2.8Å; K1224-Q1228 VanDerWaalsContact N-O 3.13Å; K1224-E1230 WeakPolarHBondContact CE-OE2 3.45Å; K1224-E1230 IonicContact NZ-OE2 2.87Å; K1224-E1230 PolarHBondContact NZ-OE2 2.89Å |
| 1225 | S | 58 | Low | 75.2 | Confident | 93 Ų | 93 | 67.5 Ų | 67.5 | 65% | 0.65 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 152.9 | 179.8 | 45.3 | 0 | 0 | 0 | 0 | 112.2 | G1227 | S1225-G1227 VanDerWaalsContact C-N 3.33Å; S1225-G1227 PolarHBondContact O-N 2.82Å |
| 1226 | N | 59.2 | Low | 75.4 | Confident | 138 Ų | 138 | 68.8 Ų | 68.8 | 74% | 0.738 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 14.4 | 177.1 | -37.7 | -30.4 | 0 | 0 | 0 | 115.5 | ||
| 1227 | G | 60.1 | Low | 76 | Confident | 22 Ų | 22 | 65.2 Ų | 65.2 | 23% | 0.227 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 28.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1197 S1225 | T1197-G1227 PolarHBondContact N-O 3.09Å; T1197-G1227 PolarHBondContact OG1-O 2.88Å; S1225-G1227 VanDerWaalsContact C-N 3.33Å; S1225-G1227 PolarHBondContact O-N 2.82Å |
| 1228 | Q | 76.4 | Confident | 76.5 | Confident | 94 Ų | 94 | 63.8 Ų | 63.8 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 101.5 | 174 | -71.6 | -171.6 | -18.2 | 0 | 0 | 110.1 | I1195 D1196 K1224 | I1195-Q1228 CarbonylContact O-C 3.58Å; I1195-Q1228 WeakPolarHBondContact O-CA 3.29Å; D1196-Q1228 HydrophobicContact CB-CG 4.14Å; D1196-Q1228 WeakPolarHBondContact OD2-CG 3.39Å; D1196-Q1228 PolarHBondContact OD2-NE2 3.21Å; K1224-Q1228 WeakPolarHBondContact CA-O 3.34Å; K1224-Q1228 WeakPolarHBondContact CB-O 3.38Å; K1224-Q1228 VanDerWaalsContact CG-O 3.27Å; K1224-Q1228 WeakPolarHBondContact CG-O 3.45Å; K1224-Q1228 PolarHBondContact N-O 2.8Å; K1224-Q1228 VanDerWaalsContact N-O 3.13Å |
| 1229 | D | 77.8 | Confident | 77.2 | Confident | 19 Ų | 19 | 57 Ų | 57 | 10% | 0.102 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 146.9 | -176.8 | -59.5 | -43.7 | 0 | 0 | 0 | 111.4 | N1194 I1195 L1205 H1221 E1223 | N1194-D1229 CarbonylContact C-O 3.54Å; N1194-D1229 WeakPolarHBondContact CA-O 3.36Å; I1195-D1229 PolarHBondContact N-O 2.71Å; I1195-D1229 PolarHBondContact O-N 2.81Å; L1205-D1229 HydrophobicContact CD2-CB 4.13Å; H1221-D1229 WeakPolarHBondContact NE2-CB 3.45Å; E1223-D1229 WeakPolarHBondContact CA-OD1 3.38Å |
| 1230 | E | 83.9 | Confident | 77.8 | Confident | 46 Ų | 46 | 60.1 Ų | 60.1 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 121.1 | 172.4 | -179 | 170.3 | -165.9 | 0 | 0 | 110.8 | S1192 H1221 T1222 K1224 | S1192-E1230 WeakPolarHBondContact CB-OE1 3.46Å; S1192-E1230 PolarHBondContact OG-OE1 2.65Å; H1221-E1230 CarbonylContact C-O 3.57Å; T1222-E1230 PolarHBondContact N-O 2.75Å; T1222-E1230 PolarHBondContact O-N 3.04Å; K1224-E1230 WeakPolarHBondContact CE-OE2 3.45Å; K1224-E1230 IonicContact NZ-OE2 2.87Å; K1224-E1230 PolarHBondContact NZ-OE2 2.89Å |
| 1231 | L | 83.1 | Confident | 78.4 | Confident | 14 Ų | 14 | 53.5 Ų | 53.5 | 7% | 0.073 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 134.4 | 164.7 | -71 | 93.1 | 0 | 0 | 0 | 109.5 | S1192 L1193 I1195 V1207 A1219 K1220 | S1192-L1231 CarbonylContact C-O 3.57Å; S1192-L1231 WeakPolarHBondContact CA-O 3.42Å; L1193-L1231 PolarHBondContact N-O 2.94Å; L1193-L1231 PolarHBondContact O-N 2.87Å; I1195-L1231 HydrophobicContact CD1-CD1 3.62Å; I1195-L1231 HydrophobicContact CG1-CD1 4.38Å; V1207-L1231 HydrophobicContact CB-CD2 3.61Å; V1207-L1231 HydrophobicContact CG1-CD2 3.98Å; V1207-L1231 HydrophobicContact CG2-CD1 3.87Å; V1207-L1231 HydrophobicContact CG2-CD2 3.69Å; V1207-L1231 HydrophobicContact CG2-CG 4.45Å; A1219-L1231 HydrophobicContact CB-CB 4.45Å; A1219-L1231 HydrophobicContact CB-CD2 4.15Å; K1220-L1231 WeakPolarHBondContact O-CA 3.45Å |
| 1232 | S | 83.7 | Confident | 78.9 | Confident | 25 Ų | 25 | 52.6 Ų | 52.6 | 18% | 0.175 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 139.6 | 177.6 | 52.7 | 0 | 0 | 0 | 0 | 111.7 | V1191 K1220 | V1191-S1232 CarbonylContact O-C 3.54Å; V1191-S1232 VanDerWaalsContact O-CA 3.24Å; V1191-S1232 WeakPolarHBondContact O-CA 3.4Å; K1220-S1232 PolarHBondContact N-O 2.89Å; K1220-S1232 PolarHBondContact O-N 2.87Å; K1220-S1232 PolarHBondContact O-OG 2.83Å |
| 1233 | F | 85.6 | Confident | 79.5 | Confident | 13 Ų | 13 | 50.1 Ų | 50.1 | 6% | 0.057 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 161.3 | 175 | 71.1 | -83.4 | 0 | 0 | 0 | 111.1 | V1191 I1209 L1217 A1219 P1235 Y1241 W1259 | V1191-F1233 HydrophobicContact CB-CD1 4.07Å; V1191-F1233 HydrophobicContact CB-CE1 3.73Å; V1191-F1233 HydrophobicContact CB-CE2 4.32Å; V1191-F1233 HydrophobicContact CB-CZ 3.87Å; V1191-F1233 HydrophobicContact CG1-CD1 4.16Å; V1191-F1233 HydrophobicContact CG1-CE1 3.45Å; V1191-F1233 VanDerWaalsContact CG1-CE1 3.45Å; V1191-F1233 HydrophobicContact CG1-CZ 3.76Å; V1191-F1233 HydrophobicContact CG2-CE2 4.44Å; V1191-F1233 HydrophobicContact CG2-CZ 4.22Å; V1191-F1233 PolarHBondContact N-O 3.21Å; V1191-F1233 PolarHBondContact O-N 2.85Å; I1209-F1233 HydrophobicContact CD1-CD1 3.51Å; I1209-F1233 HydrophobicContact CD1-CE1 3.68Å; I1209-F1233 HydrophobicContact CD1-CG 4.11Å; I1209-F1233 HydrophobicContact CD1-CZ 4.4Å; I1209-F1233 HydrophobicContact CG2-CE2 4.49Å; I1209-F1233 HydrophobicContact CG2-CZ 4.36Å; L1217-F1233 HydrophobicContact CD2-CB 4.05Å; L1217-F1233 HydrophobicContact CD2-CD2 3.44Å; L1217-F1233 VanDerWaalsContact CD2-CD2 3.44Å; L1217-F1233 HydrophobicContact CD2-CE2 4.17Å; L1217-F1233 HydrophobicContact CD2-CG 4.02Å; A1219-F1233 HydrophobicContact CB-CB 4.18Å; F1233-P1235 HydrophobicContact CD2-CB 4.47Å; F1233-P1235 HydrophobicContact CE2-CB 4.09Å; F1233-P1235 HydrophobicContact CE2-CG 4.28Å; F1233-Y1241 AromaticContact CE2-CD1 3.96Å; F1233-Y1241 HydrophobicContact CE2-CD1 3.96Å; F1233-Y1241 HydrophobicContact CE2-CE1 4.35Å; F1233-Y1241 HydrophobicContact CE2-CG 4.36Å; F1233-W1259 HydrophobicContact CE1-CE3 4.49Å; F1233-W1259 HydrophobicContact CE1-CH2 4.08Å; F1233-W1259 HydrophobicContact CE1-CZ2 4.31Å; F1233-W1259 HydrophobicContact CE1-CZ3 4.19Å; F1233-W1259 HydrophobicContact CZ-CD2 4.29Å; F1233-W1259 HydrophobicContact CZ-CE3 4.04Å; F1233-W1259 HydrophobicContact CZ-CH2 4.45Å; F1233-W1259 HydrophobicContact CZ-CZ3 4.14Å |
| 1234 | V | 84.1 | Confident | 80.6 | Confident | 68 Ų | 68 | 46.7 Ų | 46.7 | 41% | 0.412 | 26% | 0.259 | S | S | . | . | trans | -115.6 | 109.2 | 175.4 | -179.9 | 0 | 0 | 0 | 0 | 108.3 | G1188 P1190 E1236 | G1188-V1234 WeakPolarHBondContact O-CG1 3.5Å; P1190-V1234 HydrophobicContact CB-CG2 4.17Å; V1234-E1236 PolarHBondContact O-N 2.82Å | ||
| 1235 | P | 86.5 | Confident | 81.8 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -73.4 | 112.8 | 175.1 | 28.5 | -32.2 | 0 | 0 | 0 | 111 | A1187 G1188 E1189 V1191 F1233 Y1241 V1261 | A1187-P1235 CarbonylContact C-O 3.54Å; A1187-P1235 WeakPolarHBondContact CA-O 3.15Å; G1188-P1235 PolarHBondContact N-O 3.24Å; E1189-P1235 VanDerWaalsContact O-CD 3.29Å; E1189-P1235 WeakPolarHBondContact O-CD 3.38Å; V1191-P1235 HydrophobicContact CG2-CG 4.02Å; F1233-P1235 HydrophobicContact CD2-CB 4.47Å; F1233-P1235 HydrophobicContact CE2-CB 4.09Å; F1233-P1235 HydrophobicContact CE2-CG 4.28Å; P1235-Y1241 WeakPolarHBondContact CA-OH 3.19Å; P1235-Y1241 HydrophobicContact CB-CD2 4.04Å; P1235-Y1241 HydrophobicContact CB-CE1 4Å; P1235-Y1241 HydrophobicContact CB-CE2 3.4Å; P1235-V1261 HydrophobicContact CB-CB 4.46Å; P1235-V1261 HydrophobicContact CB-CG1 4.07Å; P1235-V1261 HydrophobicContact CB-CG2 3.71Å; P1235-V1261 HydrophobicContact CG-CG1 4.08Å; P1235-V1261 HydrophobicContact CG-CG2 3.73Å | ||
| 1236 | E | 84.2 | Confident | 83.1 | Confident | 72 Ų | 72 | 41.9 Ų | 41.9 | 34% | 0.336 | 23% | 0.227 | S | C | . | . | trans | -91.7 | -4.6 | 178.8 | -61.9 | -150.8 | 136.7 | 0 | 0 | 114.6 | V1234 Y1241 K1299 T1301 G1345 | V1234-E1236 PolarHBondContact O-N 2.82Å; E1236-Y1241 PolarHBondContact N-OH 3.04Å; E1236-K1299 IonicContact OE1-NZ 3.56Å; E1236-K1299 PolarHBondContact OE1-NZ 3.44Å; E1236-T1301 HydrophobicContact CB-CG2 4.27Å; E1236-T1301 HydrophobicContact CG-CG2 4.39Å; E1236-T1301 WeakPolarHBondContact OE2-CG2 3.48Å; E1236-G1345 VanDerWaalsContact O-CA 3.28Å; E1236-G1345 WeakPolarHBondContact O-CA 3.29Å | ||
| 1237 | I | 88.2 | Confident | 84.2 | Confident | 11 Ų | 11 | 35.5 Ų | 35.5 | 6% | 0.056 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -115.1 | 138.5 | 179.8 | -56.2 | 176.6 | 0 | 0 | 0 | 109 | P1212 Y1241 V1261 | P1212-I1237 HydrophobicContact CG-CB 4.46Å; P1212-I1237 HydrophobicContact CG-CG2 4.13Å; I1237-Y1241 PolarHBondContact N-OH 3.15Å; I1237-Y1241 WeakPolarHBondContact O-CE2 3.31Å; I1237-V1261 WeakPolarHBondContact O-CG1 3.46Å |
| 1238 | A | 86.5 | Confident | 85.1 | Confident | 30 Ų | 30 | 35.1 Ų | 35.1 | 25% | 0.248 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -79.7 | 131.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | V1261 P1263 G1345 | A1238-V1261 CarbonylContact C-O 3.41Å; A1238-V1261 WeakPolarHBondContact CA-O 3.07Å; A1238-P1263 HydrophobicContact CB-CB 3.97Å; A1238-P1263 HydrophobicContact CB-CG 4.39Å; A1238-G1345 PolarHBondContact N-O 3.44Å; A1238-G1345 VanDerWaalsContact N-O 3.07Å |
| 1239 | G | 89.2 | Confident | 85.1 | Confident | 24 Ų | 24 | 36.9 Ų | 36.9 | 25% | 0.247 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.7 | -155.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K1260 V1261 | G1239-K1260 CarbonylContact O-C 3.53Å; G1239-V1261 PolarHBondContact N-O 2.83Å; G1239-V1261 PolarHBondContact O-N 3.32Å |
| 1240 | I | 89.6 | Confident | 85.1 | Confident | 87 Ų | 87 | 37.1 Ų | 37.1 | 45% | 0.446 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 124.9 | 174.7 | -61.9 | 177.4 | 0 | 0 | 0 | 109.4 | P1212 E1242 R1258 W1259 | P1212-I1240 VanDerWaalsContact CA-O 3.31Å; P1212-I1240 WeakPolarHBondContact CA-O 3.26Å; I1240-E1242 HydrophobicContact CG2-CG 4.47Å; I1240-R1258 HydrophobicContact CG2-CG 4.43Å; I1240-W1259 VanDerWaalsContact CA-O 3.3Å; I1240-W1259 WeakPolarHBondContact CA-O 3.35Å |
| 1241 | Y | 88.8 | Confident | 85.1 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 145.8 | 168.6 | -75.5 | -106.5 | 0 | 0 | 0 | 109.7 | I1209 K1210 D1211 P1212 L1217 F1233 P1235 E1236 I1237 R1258 W1259 V1261 | I1209-Y1241 HydrophobicContact CG2-CD1 4.35Å; K1210-Y1241 WeakPolarHBondContact O-CA 3.28Å; K1210-Y1241 WeakPolarHBondContact O-CD1 3.5Å; D1211-Y1241 HydrophobicContact CB-CD1 4.16Å; D1211-Y1241 HydrophobicContact CB-CE1 3.57Å; P1212-Y1241 HydrophobicContact CG-CD2 4.03Å; P1212-Y1241 HydrophobicContact CG-CE2 3.77Å; L1217-Y1241 HydrophobicContact CD2-CE1 4.15Å; F1233-Y1241 AromaticContact CE2-CD1 3.96Å; F1233-Y1241 HydrophobicContact CE2-CD1 3.96Å; F1233-Y1241 HydrophobicContact CE2-CE1 4.35Å; F1233-Y1241 HydrophobicContact CE2-CG 4.36Å; P1235-Y1241 WeakPolarHBondContact CA-OH 3.19Å; P1235-Y1241 HydrophobicContact CB-CD2 4.04Å; P1235-Y1241 HydrophobicContact CB-CE1 4Å; P1235-Y1241 HydrophobicContact CB-CE2 3.4Å; E1236-Y1241 PolarHBondContact N-OH 3.04Å; I1237-Y1241 PolarHBondContact N-OH 3.15Å; I1237-Y1241 WeakPolarHBondContact O-CE2 3.31Å; Y1241-R1258 WeakPolarHBondContact O-CA 3.44Å; Y1241-W1259 PolarHBondContact N-O 2.98Å; Y1241-W1259 PolarHBondContact O-N 3.28Å; Y1241-W1259 VanDerWaalsContact O-N 3.09Å; Y1241-V1261 HydrophobicContact CD2-CB 4.26Å; Y1241-V1261 HydrophobicContact CD2-CG2 3.51Å; Y1241-V1261 HydrophobicContact CE2-CB 4.14Å; Y1241-V1261 HydrophobicContact CE2-CG2 3.7Å |
| 1242 | E | 89.4 | Confident | 85.2 | Confident | 63 Ų | 63 | 37 Ų | 37 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 128.3 | 176.3 | -53 | -159.1 | 129.6 | 0 | 0 | 110.4 | I1209 K1210 I1240 P1256 F1257 R1258 | I1209-E1242 CarbonylContact C-O 3.54Å; I1209-E1242 WeakPolarHBondContact CA-O 3.43Å; K1210-E1242 PolarHBondContact N-O 2.87Å; K1210-E1242 PolarHBondContact O-N 3.18Å; K1210-E1242 VanDerWaalsContact O-N 3.11Å; I1240-E1242 HydrophobicContact CG2-CG 4.47Å; E1242-P1256 HydrophobicContact CB-CB 4.28Å; E1242-F1257 CarbonylContact C-O 3.54Å; E1242-F1257 WeakPolarHBondContact CA-O 3.26Å; E1242-R1258 HydrophobicContact CG-CG 4.25Å; E1242-R1258 IonicContact OE1-CZ 3.31Å; E1242-R1258 IonicContact OE1-NE 3.56Å; E1242-R1258 PolarHBondContact OE1-NE 3.46Å; E1242-R1258 IonicContact OE1-NH2 2.74Å; E1242-R1258 PolarHBondContact OE1-NH2 3.44Å |
| 1243 | A | 87.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 139.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1208 I1209 P1256 F1257 W1259 | L1208-A1243 CarbonylContact O-C 3.59Å; L1208-A1243 VanDerWaalsContact O-CA 3.24Å; L1208-A1243 WeakPolarHBondContact O-CA 3.1Å; I1209-A1243 HydrophobicContact CD1-CB 4.45Å; I1209-A1243 HydrophobicContact CG1-CB 3.92Å; A1243-P1256 WeakPolarHBondContact O-CA 3.21Å; A1243-F1257 HydrophobicContact CB-CB 4.38Å; A1243-F1257 PolarHBondContact N-O 2.92Å; A1243-F1257 PolarHBondContact O-N 3.07Å; A1243-W1259 HydrophobicContact CB-CH2 3.92Å; A1243-W1259 HydrophobicContact CB-CZ3 3.57Å |
| 1244 | Q | 88 | Confident | 84.7 | Confident | 76 Ų | 76 | 42.8 Ų | 42.8 | 36% | 0.355 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 127 | 179.5 | -153.2 | 167 | 21.6 | 0 | 0 | 109.3 | V1207 L1208 L1251 | V1207-Q1244 WeakPolarHBondContact CA-O 3.46Å; L1208-Q1244 PolarHBondContact N-O 2.85Å; L1208-Q1244 PolarHBondContact O-N 2.85Å; Q1244-L1251 HydrophobicContact CG-CD2 3.68Å |
| 1245 | V | 88.3 | Confident | 84.6 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 130.9 | -171.3 | -178.4 | 0 | 0 | 0 | 0 | 109.5 | L1193 I1195 L1205 Q1206 V1207 V1252 F1257 | L1193-V1245 HydrophobicContact CD2-CG2 4.17Å; I1195-V1245 HydrophobicContact CD1-CG1 3.94Å; I1195-V1245 HydrophobicContact CD1-CG2 4.19Å; L1205-V1245 HydrophobicContact CD1-CG1 3.97Å; Q1206-V1245 WeakPolarHBondContact O-CA 3.34Å; V1207-V1245 HydrophobicContact CG1-CG2 4.2Å; V1207-V1245 HydrophobicContact CG2-CG1 4.27Å; V1207-V1245 HydrophobicContact CG2-CG2 4.12Å; V1245-V1252 HydrophobicContact CB-CB 4.19Å; V1245-V1252 HydrophobicContact CB-CG2 4.39Å; V1245-V1252 HydrophobicContact CG1-CB 4.1Å; V1245-V1252 HydrophobicContact CG1-CG2 3.81Å; V1245-V1252 PolarHBondContact O-N 2.84Å; V1245-F1257 HydrophobicContact CB-CE2 4.2Å; V1245-F1257 HydrophobicContact CG2-CD2 3.92Å; V1245-F1257 HydrophobicContact CG2-CE2 3.82Å |
| 1246 | K | 85.3 | Confident | 84.4 | Confident | 73 Ų | 73 | 46.4 Ų | 46.4 | 32% | 0.317 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 147.6 | 172.9 | -68.9 | -173.4 | 169.9 | -153 | 0 | 111.4 | Q1206 E1249 G1250 L1251 | Q1206-K1246 HydrophobicContact CB-CB 4.34Å; Q1206-K1246 PolarHBondContact N-O 3.38Å; Q1206-K1246 PolarHBondContact O-N 2.9Å; K1246-E1249 PolarHBondContact NZ-O 3.27Å; K1246-G1250 CarbonylContact C-O 3.55Å; K1246-G1250 VanDerWaalsContact CA-O 3.25Å; K1246-G1250 WeakPolarHBondContact CA-O 3.33Å; K1246-L1251 HydrophobicContact CG-CD2 3.83Å; K1246-L1251 HydrophobicContact CG-CG 4.37Å |
| 1247 | L | 80.9 | Confident | 84.6 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 111.3 | 166.2 | -175.9 | 69.9 | 0 | 0 | 0 | 107.3 | F1167 P1169 V1172 A1200 A1203 G1250 V1252 | F1167-L1247 HydrophobicContact CB-CD2 4.11Å; F1167-L1247 HydrophobicContact CD2-CD2 4.37Å; F1167-L1247 HydrophobicContact CD2-CG 4.24Å; F1167-L1247 WeakPolarHBondContact CD2-O 3.44Å; F1167-L1247 WeakPolarHBondContact CE2-O 3.18Å; P1169-L1247 HydrophobicContact CB-CB 4.27Å; P1169-L1247 HydrophobicContact CG-CB 4.38Å; V1172-L1247 HydrophobicContact CG2-CB 4.2Å; V1172-L1247 HydrophobicContact CG2-CD2 3.64Å; V1172-L1247 HydrophobicContact CG2-CG 4.43Å; A1200-L1247 HydrophobicContact CB-CD2 3.77Å; A1203-L1247 HydrophobicContact CB-CD1 4.26Å; A1203-L1247 HydrophobicContact CB-CG 4.17Å; A1203-L1247 VanDerWaalsContact O-CD1 3.24Å; A1203-L1247 WeakPolarHBondContact O-CD1 3.38Å; L1247-G1250 PolarHBondContact N-O 2.7Å; L1247-G1250 PolarHBondContact O-N 2.66Å; L1247-V1252 HydrophobicContact CB-CG2 4.36Å |
| 1248 | G | 80.3 | Confident | 84.6 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 14% | 0.144 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | -138.8 | -163 | 0 | 0 | 0 | 0 | 0 | 111.5 | P1204 G1250 | P1204-G1248 PolarHBondContact O-N 2.92Å; G1248-G1250 VanDerWaalsContact C-N 3.27Å; G1248-G1250 PolarHBondContact O-N 2.82Å |
| 1249 | E | 76.5 | Confident | 84.7 | Confident | 131 Ų | 131 | 46 Ų | 46 | 61% | 0.612 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -28.5 | 176.1 | -71.2 | -65.4 | 148.9 | 0 | 0 | 113.6 | Q20 K1246 | Q20-E1249 PolarHBondContact NE2-OE1 3.33Å; K1246-E1249 PolarHBondContact NZ-O 3.27Å |
| 1250 | G | 78 | Confident | 84.7 | Confident | 24 Ų | 24 | 49.6 Ų | 49.6 | 25% | 0.247 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 138.4 | -163.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | K1246 L1247 G1248 | K1246-G1250 CarbonylContact C-O 3.55Å; K1246-G1250 VanDerWaalsContact CA-O 3.25Å; K1246-G1250 WeakPolarHBondContact CA-O 3.33Å; L1247-G1250 PolarHBondContact N-O 2.7Å; L1247-G1250 PolarHBondContact O-N 2.66Å; G1248-G1250 VanDerWaalsContact C-N 3.27Å; G1248-G1250 PolarHBondContact O-N 2.82Å |
| 1251 | L | 82.2 | Confident | 84.8 | Confident | 47 Ų | 47 | 45.6 Ų | 45.6 | 25% | 0.246 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 137 | 174.1 | -73.9 | 165.9 | 0 | 0 | 0 | 111.9 | Q1244 K1246 | Q1244-L1251 HydrophobicContact CG-CD2 3.68Å; K1246-L1251 HydrophobicContact CG-CD2 3.83Å; K1246-L1251 HydrophobicContact CG-CG 4.37Å |
| 1252 | V | 85.7 | Confident | 84.8 | Confident | 11 Ų | 11 | 48 Ų | 48 | 7% | 0.067 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -79.4 | -22.8 | 170.9 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | V1172 V1174 V1245 L1247 | V1172-V1252 HydrophobicContact CB-CB 4.43Å; V1172-V1252 HydrophobicContact CB-CG1 3.74Å; V1172-V1252 HydrophobicContact CB-CG2 3.81Å; V1172-V1252 HydrophobicContact CG1-CG1 3.94Å; V1172-V1252 HydrophobicContact CG1-CG2 4.08Å; V1172-V1252 HydrophobicContact CG2-CG2 3.94Å; V1174-V1252 HydrophobicContact CG2-CG1 3.77Å; V1245-V1252 HydrophobicContact CB-CB 4.19Å; V1245-V1252 HydrophobicContact CB-CG2 4.39Å; V1245-V1252 HydrophobicContact CG1-CB 4.1Å; V1245-V1252 HydrophobicContact CG1-CG2 3.81Å; V1245-V1252 PolarHBondContact O-N 2.84Å; L1247-V1252 HydrophobicContact CB-CG2 4.36Å |
| 1253 | S | 82.2 | Confident | 84.7 | Confident | 20 Ų | 20 | 47.8 Ų | 47.8 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | trans | -151.9 | 136.5 | 176.3 | -167.6 | 0 | 0 | 0 | 0 | 109.5 | E1255 | S1253-E1255 VanDerWaalsContact CB-O 3.26Å; S1253-E1255 WeakPolarHBondContact CB-O 3.41Å; S1253-E1255 PolarHBondContact OG-O 3.14Å | ||
| 1254 | E | 77 | Confident | 84.4 | Confident | 139 Ų | 139 | 49.4 Ų | 49.4 | 65% | 0.65 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -67.1 | -50.3 | 171.3 | -60.4 | -62.2 | 153.5 | 0 | 0 | 110 | ||
| 1255 | E | 81.3 | Confident | 84.1 | Confident | 118 Ų | 118 | 47.9 Ų | 47.9 | 55% | 0.551 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -76.6 | 133.3 | 173.8 | -62 | -170.1 | 133.4 | 0 | 0 | 110.5 | S1253 | S1253-E1255 VanDerWaalsContact CB-O 3.26Å; S1253-E1255 WeakPolarHBondContact CB-O 3.41Å; S1253-E1255 PolarHBondContact OG-O 3.14Å |
| 1256 | P | 83.1 | Confident | 83.7 | Confident | 26 Ų | 26 | 50.7 Ų | 50.7 | 17% | 0.169 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 148.9 | 178.6 | 30.2 | -35.1 | 0 | 0 | 0 | 111.7 | E1242 A1243 | E1242-P1256 HydrophobicContact CB-CB 4.28Å; A1243-P1256 WeakPolarHBondContact O-CA 3.21Å |
| 1257 | F | 87.6 | Confident | 83.5 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 128.3 | 171.9 | -64.4 | -79.4 | 0 | 0 | 0 | 109.2 | V1174 C1177 K1179 E1242 A1243 V1245 W1259 | V1174-F1257 HydrophobicContact CB-CE1 3.78Å; V1174-F1257 HydrophobicContact CB-CE2 4.35Å; V1174-F1257 HydrophobicContact CB-CZ 3.55Å; V1174-F1257 HydrophobicContact CG1-CD1 4.14Å; V1174-F1257 HydrophobicContact CG1-CE1 3.62Å; V1174-F1257 HydrophobicContact CG1-CE2 4.13Å; V1174-F1257 HydrophobicContact CG1-CZ 3.62Å; V1174-F1257 HydrophobicContact CG2-CE1 4.46Å; V1174-F1257 HydrophobicContact CG2-CE2 4.21Å; V1174-F1257 HydrophobicContact CG2-CZ 3.73Å; C1177-F1257 HydrophobicContact CB-CB 4.2Å; C1177-F1257 HydrophobicContact CB-CD1 3.98Å; C1177-F1257 HydrophobicContact CB-CG 4.5Å; K1179-F1257 HydrophobicContact CD-CE1 4.48Å; K1179-F1257 HydrophobicContact CG-CD1 4.5Å; K1179-F1257 HydrophobicContact CG-CE1 3.98Å; E1242-F1257 CarbonylContact C-O 3.54Å; E1242-F1257 WeakPolarHBondContact CA-O 3.26Å; A1243-F1257 HydrophobicContact CB-CB 4.38Å; A1243-F1257 PolarHBondContact N-O 2.92Å; A1243-F1257 PolarHBondContact O-N 3.07Å; V1245-F1257 HydrophobicContact CB-CE2 4.2Å; V1245-F1257 HydrophobicContact CG2-CD2 3.92Å; V1245-F1257 HydrophobicContact CG2-CE2 3.82Å; F1257-W1259 HydrophobicContact CB-CH2 4.34Å; F1257-W1259 HydrophobicContact CB-CZ3 4.41Å |
| 1258 | R | 88.2 | Confident | 83.4 | Confident | 102 Ų | 102 | 56.2 Ų | 56.2 | 39% | 0.385 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 141.8 | -171.8 | -72.9 | 175.1 | 168 | 144.3 | -1.6 | 113 | C1177 P1182 T1183 I1240 Y1241 E1242 | C1177-R1258 PolarHBondContact SG-N 2.64Å; C1177-R1258 VanDerWaalsContact SG-N 3.39Å; C1177-R1258 PolarHBondContact SG-O 3.18Å; C1177-R1258 VanDerWaalsContact SG-O 3.35Å; P1182-R1258 CarbonylContact C-O 3.57Å; P1182-R1258 VanDerWaalsContact CA-O 3.3Å; P1182-R1258 WeakPolarHBondContact CA-O 3.36Å; P1182-R1258 HydrophobicContact CB-CB 3.87Å; T1183-R1258 PolarHBondContact N-O 2.96Å; I1240-R1258 HydrophobicContact CG2-CG 4.43Å; Y1241-R1258 WeakPolarHBondContact O-CA 3.44Å; E1242-R1258 HydrophobicContact CG-CG 4.25Å; E1242-R1258 IonicContact OE1-CZ 3.31Å; E1242-R1258 IonicContact OE1-NE 3.56Å; E1242-R1258 PolarHBondContact OE1-NE 3.46Å; E1242-R1258 IonicContact OE1-NH2 2.74Å; E1242-R1258 PolarHBondContact OE1-NH2 3.44Å |
| 1259 | W | 89 | Confident | 83.3 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 144.3 | 167.5 | -62 | -98.1 | 0 | 0 | 0 | 110.6 | C1177 T1183 V1185 V1191 L1193 F1233 I1240 Y1241 A1243 F1257 V1261 | C1177-W1259 HydrophobicContact CB-CH2 4.45Å; C1177-W1259 HydrophobicContact CB-CZ2 3.82Å; T1183-W1259 CarbonylContact O-C 3.51Å; T1183-W1259 WeakPolarHBondContact O-CA 3.43Å; V1185-W1259 HydrophobicContact CG2-CB 4.11Å; V1185-W1259 HydrophobicContact CG2-CG 4.2Å; V1191-W1259 HydrophobicContact CG1-CD2 4.15Å; V1191-W1259 VanDerWaalsContact CG1-CE2 3.44Å; V1191-W1259 HydrophobicContact CG1-CG 4.38Å; V1191-W1259 HydrophobicContact CG1-CZ2 3.69Å; V1191-W1259 VanDerWaalsContact CG1-NE1 3.3Å; L1193-W1259 HydrophobicContact CB-CZ2 4.41Å; L1193-W1259 HydrophobicContact CD1-CH2 4.01Å; L1193-W1259 HydrophobicContact CD1-CZ2 3.83Å; L1193-W1259 HydrophobicContact CD2-CH2 4.5Å; F1233-W1259 HydrophobicContact CE1-CE3 4.49Å; F1233-W1259 HydrophobicContact CE1-CH2 4.08Å; F1233-W1259 HydrophobicContact CE1-CZ2 4.31Å; F1233-W1259 HydrophobicContact CE1-CZ3 4.19Å; F1233-W1259 HydrophobicContact CZ-CD2 4.29Å; F1233-W1259 HydrophobicContact CZ-CE3 4.04Å; F1233-W1259 HydrophobicContact CZ-CH2 4.45Å; F1233-W1259 HydrophobicContact CZ-CZ3 4.14Å; I1240-W1259 VanDerWaalsContact CA-O 3.3Å; I1240-W1259 WeakPolarHBondContact CA-O 3.35Å; Y1241-W1259 PolarHBondContact N-O 2.98Å; Y1241-W1259 PolarHBondContact O-N 3.28Å; Y1241-W1259 VanDerWaalsContact O-N 3.09Å; A1243-W1259 HydrophobicContact CB-CH2 3.92Å; A1243-W1259 HydrophobicContact CB-CZ3 3.57Å; F1257-W1259 HydrophobicContact CB-CH2 4.34Å; F1257-W1259 HydrophobicContact CB-CZ3 4.41Å; W1259-V1261 HydrophobicContact CB-CG2 4.5Å |
| 1260 | K | 90.2 | Very high | 83.5 | Confident | 100 Ų | 100 | 56.7 Ų | 56.7 | 44% | 0.435 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 100.9 | 172 | -176.8 | -176.9 | 179.2 | -176.5 | 0 | 108.5 | P1182 T1183 I1184 V1185 G1239 L1262 | P1182-K1260 HydrophobicContact CB-CB 4.11Å; P1182-K1260 HydrophobicContact CG-CB 4.23Å; T1183-K1260 PolarHBondContact O-N 3.25Å; I1184-K1260 WeakPolarHBondContact CA-O 3.49Å; V1185-K1260 PolarHBondContact N-O 3.11Å; V1185-K1260 VanDerWaalsContact N-O 3.14Å; G1239-K1260 CarbonylContact O-C 3.53Å; K1260-L1262 HydrophobicContact CD-CD2 4.46Å; K1260-L1262 HydrophobicContact CG-CD2 4.36Å |
| 1261 | V | 91 | Very high | 83.7 | Confident | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 119.6 | -177.3 | -177.5 | 0 | 0 | 0 | 0 | 109.3 | V1185 A1187 P1235 I1237 A1238 G1239 Y1241 W1259 | V1185-V1261 CarbonylContact O-C 3.42Å; V1185-V1261 VanDerWaalsContact O-CA 3.31Å; V1185-V1261 WeakPolarHBondContact O-CA 3.28Å; A1187-V1261 HydrophobicContact CB-CG1 3.87Å; P1235-V1261 HydrophobicContact CB-CB 4.46Å; P1235-V1261 HydrophobicContact CB-CG1 4.07Å; P1235-V1261 HydrophobicContact CB-CG2 3.71Å; P1235-V1261 HydrophobicContact CG-CG1 4.08Å; P1235-V1261 HydrophobicContact CG-CG2 3.73Å; I1237-V1261 WeakPolarHBondContact O-CG1 3.46Å; A1238-V1261 CarbonylContact C-O 3.41Å; A1238-V1261 WeakPolarHBondContact CA-O 3.07Å; G1239-V1261 PolarHBondContact N-O 2.83Å; G1239-V1261 PolarHBondContact O-N 3.32Å; Y1241-V1261 HydrophobicContact CD2-CB 4.26Å; Y1241-V1261 HydrophobicContact CD2-CG2 3.51Å; Y1241-V1261 HydrophobicContact CE2-CB 4.14Å; Y1241-V1261 HydrophobicContact CE2-CG2 3.7Å; W1259-V1261 HydrophobicContact CB-CG2 4.5Å |
| 1262 | L | 88.2 | Confident | 83.8 | Confident | 55 Ų | 55 | 58.7 Ų | 58.7 | 29% | 0.288 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 146.2 | -180 | -59.2 | -178.5 | 0 | 0 | 0 | 110.8 | I1184 V1185 H1186 A1187 K1260 | I1184-L1262 HydrophobicContact CG2-CD1 3.59Å; I1184-L1262 HydrophobicContact CG2-CG 3.97Å; V1185-L1262 PolarHBondContact O-N 3.39Å; H1186-L1262 CarbonylContact C-O 3.55Å; H1186-L1262 WeakPolarHBondContact CA-O 3.25Å; A1187-L1262 PolarHBondContact N-O 3.04Å; K1260-L1262 HydrophobicContact CD-CD2 4.46Å; K1260-L1262 HydrophobicContact CG-CD2 4.36Å |
| 1263 | P | 87.6 | Confident | 83.6 | Confident | 57 Ų | 57 | 61.3 Ų | 61.3 | 37% | 0.37 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 161.8 | 177.8 | 30.4 | -34.6 | 0 | 0 | 0 | 112.5 | A1238 G1344 E1346 | A1238-P1263 HydrophobicContact CB-CB 3.97Å; A1238-P1263 HydrophobicContact CB-CG 4.39Å; P1263-G1344 CarbonylContact C-O 3.58Å; P1263-G1344 WeakPolarHBondContact CA-O 3.23Å; P1263-G1344 WeakPolarHBondContact CB-O 3.47Å; P1263-E1346 HydrophobicContact CB-CB 4.15Å |
| 1264 | V | 82.4 | Confident | 83.5 | Confident | 35 Ų | 35 | 65.3 Ų | 65.3 | 21% | 0.212 | 32% | 0.318 | C | S | . | . | trans | -121.7 | 123.7 | -178.6 | -177.9 | 0 | 0 | 0 | 0 | 110.6 | H1186 A1187 E1297 G1298 G1344 | H1186-V1264 HydrophobicContact CB-CG2 3.73Å; A1187-V1264 WeakPolarHBondContact O-CG2 3.38Å; V1264-E1297 HydrophobicContact CG1-CB 4.48Å; V1264-G1298 WeakPolarHBondContact O-CA 3.38Å; V1264-G1344 PolarHBondContact N-O 3.06Å; V1264-G1344 WeakPolarHBondContact O-CA 3.49Å | ||
| 1265 | G | 81.1 | Confident | 83.6 | Confident | 44 Ų | 44 | 59.3 Ų | 59.3 | 45% | 0.454 | 29% | 0.293 | S | S | . | . | S | Bend | trans | 72.8 | -156.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | H1295 | G1265-H1295 WeakPolarHBondContact CA-O 3.5Š|
| 1266 | N | 79.7 | Confident | 83.6 | Confident | 60 Ų | 60 | 58.8 Ų | 58.8 | 32% | 0.321 | 29% | 0.285 | S | S | . | . | trans | -130.8 | 90.7 | -173.4 | -170.6 | -23.6 | 0 | 0 | 0 | 112.7 | R1268 R1269 H1295 | N1266-R1268 PolarHBondContact O-N 2.7Å; N1266-R1268 VanDerWaalsContact O-N 3.14Å; N1266-R1268 WeakPolarHBondContact OD1-CB 3.09Å; N1266-R1268 PolarHBondContact OD1-N 2.95Å; N1266-R1269 PolarHBondContact O-N 2.58Å; N1266-R1269 VanDerWaalsContact O-N 3.16Å; N1266-H1295 PolarHBondContact N-O 2.79Å | ||
| 1267 | A | 81.6 | Confident | 83.5 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.008 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -57.4 | -28.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | R1269 C1270 Y1343 E1346 L1348 | A1267-R1269 PolarHBondContact O-N 2.72Å; A1267-R1269 VanDerWaalsContact O-N 3.09Å; A1267-C1270 PolarHBondContact O-N 3.06Å; A1267-C1270 VanDerWaalsContact O-N 3.11Å; A1267-Y1343 HydrophobicContact CB-CD1 4.21Å; A1267-E1346 HydrophobicContact CB-CB 3.73Å; A1267-E1346 HydrophobicContact CB-CG 4.07Å; A1267-L1348 HydrophobicContact CB-CD2 4.19Å; A1267-L1348 WeakPolarHBondContact O-CD2 3.25Å |
| 1268 | R | 79.1 | Confident | 83.1 | Confident | 191 Ų | 191 | 69.4 Ų | 69.4 | 72% | 0.721 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -69.2 | -5.1 | -179.3 | -53.1 | -176.6 | -174.8 | -163.6 | -1.7 | 114.3 | N1266 E1346 | N1266-R1268 PolarHBondContact O-N 2.7Å; N1266-R1268 VanDerWaalsContact O-N 3.14Å; N1266-R1268 WeakPolarHBondContact OD1-CB 3.09Å; N1266-R1268 PolarHBondContact OD1-N 2.95Å; R1268-E1346 IonicContact CZ-OE1 3.45Å; R1268-E1346 IonicContact NE-OE1 2.68Å; R1268-E1346 PolarHBondContact NE-OE1 2.84Å; R1268-E1346 IonicContact NH2-OE1 2.74Å; R1268-E1346 PolarHBondContact NH2-OE1 2.96Å |
| 1269 | R | 77.8 | Confident | 82.7 | Confident | 152 Ų | 152 | 68.9 Ų | 68.9 | 57% | 0.574 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -111 | -9 | 174.2 | -56.3 | -176.8 | 172.9 | -174 | -2.8 | 113.4 | N1266 A1267 H1295 | N1266-R1269 PolarHBondContact O-N 2.58Å; N1266-R1269 VanDerWaalsContact O-N 3.16Å; A1267-R1269 PolarHBondContact O-N 2.72Å; A1267-R1269 VanDerWaalsContact O-N 3.09Å; R1269-H1295 HydrophobicContact CB-CB 4.09Å; R1269-H1295 WeakPolarHBondContact CB-CD2 3.04Å; R1269-H1295 WeakPolarHBondContact CD-ND1 3.18Å; R1269-H1295 PolarHBondContact NH1-ND1 3.41Å |
| 1270 | C | 80.6 | Confident | 82.2 | Confident | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.02 | 34% | 0.339 | C | S | . | . | trans | -88 | 142 | 173.1 | -56.1 | 0 | 0 | 0 | 0 | 109 | A1267 R1291 Y1343 L1348 | A1267-C1270 PolarHBondContact O-N 3.06Å; A1267-C1270 VanDerWaalsContact O-N 3.11Å; C1270-R1291 CarbonylContact C-O 3.53Å; C1270-R1291 VanDerWaalsContact CA-O 3.23Å; C1270-R1291 WeakPolarHBondContact CA-O 3.4Å; C1270-R1291 WeakPolarHBondContact CB-O 3.5Å; C1270-Y1343 HydrophobicContact CB-CD2 4.35Å; C1270-Y1343 HydrophobicContact CB-CG 4.28Å; C1270-L1348 HydrophobicContact CB-CD2 3.61Å | ||
| 1271 | L | 81.4 | Confident | 81.7 | Confident | 94 Ų | 94 | 68 Ų | 68 | 49% | 0.492 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 130.8 | -167.6 | -176 | 68.9 | 0 | 0 | 0 | 111.5 | T1273 V1290 R1291 | L1271-T1273 PolarHBondContact O-N 2.86Å; L1271-V1290 CarbonylContact O-C 3.56Å; L1271-V1290 WeakPolarHBondContact O-CA 3.29Å; L1271-R1291 PolarHBondContact N-O 2.84Å; L1271-R1291 PolarHBondContact O-N 2.9Å |
| 1272 | I | 84.7 | Confident | 81.1 | Confident | 18 Ų | 18 | 69.9 Ų | 69.9 | 9% | 0.092 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 116.7 | 168 | -56 | 170.7 | 0 | 0 | 0 | 108.5 | R1276 V1288 K1289 V1290 I1341 L1348 W1353 | I1272-R1276 HydrophobicContact CD1-CG 4.49Å; I1272-R1276 HydrophobicContact CG2-CG 3.67Å; I1272-V1288 HydrophobicContact CG2-CG1 3.56Å; I1272-K1289 CarbonylContact C-O 3.53Å; I1272-K1289 WeakPolarHBondContact CA-O 3.46Å; I1272-V1290 HydrophobicContact CG1-CG2 4.24Å; I1272-I1341 HydrophobicContact CD1-CB 4.39Å; I1272-I1341 HydrophobicContact CD1-CD1 3.93Å; I1272-L1348 HydrophobicContact CD1-CD1 4.39Å; I1272-L1348 HydrophobicContact CG1-CD1 3.9Å; I1272-W1353 HydrophobicContact CD1-CH2 4.28Å; I1272-W1353 HydrophobicContact CD1-CZ3 3.71Å |
| 1273 | T | 81.4 | Confident | 80.5 | Confident | 67 Ų | 67 | 70 Ų | 70 | 41% | 0.411 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -40.1 | -177.4 | 67.5 | 0 | 0 | 0 | 0 | 112.6 | L1271 K1289 R1291 | L1271-T1273 PolarHBondContact O-N 2.86Å; T1273-K1289 PolarHBondContact N-O 2.89Å; T1273-R1291 HydrophobicContact CG2-CB 4.12Å |
| 1274 | E | 80.9 | Confident | 80.1 | Confident | 104 Ų | 104 | 71.9 Ų | 71.9 | 49% | 0.486 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 159.8 | -176 | -69.7 | 134.6 | -102.9 | 0 | 0 | 111.1 | K1289 | E1274-K1289 HydrophobicContact CB-CB 4.06Å; E1274-K1289 HydrophobicContact CB-CD 4.42Å; E1274-K1289 PolarHBondContact O-N 3.44Å; E1274-K1289 WeakPolarHBondContact OE1-CD 3.48Å; E1274-K1289 WeakPolarHBondContact OE1-CE 3.41Å; E1274-K1289 IonicContact OE1-NZ 2.65Å; E1274-K1289 PolarHBondContact OE1-NZ 3.41Å; E1274-K1289 WeakPolarHBondContact OE2-CD 3.45Å; E1274-K1289 IonicContact OE2-NZ 3.86Å; E1274-K1289 PolarHBondContact OE2-NZ 3.45Å |
| 1275 | G | 79.5 | Confident | 80.1 | Confident | 12 Ų | 12 | 76.2 Ų | 76.2 | 12% | 0.124 | 39% | 0.385 | C | S | . | . | trans | 95.4 | 3.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | F1277 C1287 V1288 | G1275-F1277 WeakPolarHBondContact O-CD2 3.34Å; G1275-F1277 VanDerWaalsContact O-CE2 3.32Å; G1275-F1277 WeakPolarHBondContact O-CE2 3.3Å; G1275-F1277 PolarHBondContact O-N 2.81Å; G1275-F1277 VanDerWaalsContact O-N 3.09Å; G1275-C1287 VanDerWaalsContact CA-O 3.28Å; G1275-C1287 WeakPolarHBondContact CA-O 3.47Å; G1275-V1288 WeakPolarHBondContact O-CG2 3.34Å | ||
| 1276 | R | 81.2 | Confident | 80.3 | Confident | 107 Ų | 107 | 74.6 Ų | 74.6 | 40% | 0.404 | 37% | 0.366 | S | S | . | . | trans | -80.7 | 89.3 | 177 | -64.5 | -178.9 | 75.5 | -104.6 | 5.1 | 111.2 | I1272 K1350 W1353 | I1272-R1276 HydrophobicContact CD1-CG 4.49Å; I1272-R1276 HydrophobicContact CG2-CG 3.67Å; R1276-K1350 PolarHBondContact NE-O 3.31Å; R1276-K1350 PolarHBondContact NH2-O 2.75Å; R1276-W1353 HydrophobicContact CB-CZ2 4.3Å; R1276-W1353 HydrophobicContact CG-CD2 4.36Å; R1276-W1353 HydrophobicContact CG-CE3 4.3Å; R1276-W1353 HydrophobicContact CG-CH2 3.89Å; R1276-W1353 HydrophobicContact CG-CZ2 3.92Å; R1276-W1353 HydrophobicContact CG-CZ3 4.08Å | ||
| 1277 | F | 79.8 | Confident | 80.6 | Confident | 94 Ų | 94 | 74 Ų | 74 | 41% | 0.412 | 37% | 0.366 | S | S | . | . | trans | -95.3 | 140.3 | 176.3 | -48.1 | -69.6 | 0 | 0 | 0 | 111.9 | G1275 W1353 V1355 | G1275-F1277 WeakPolarHBondContact O-CD2 3.34Å; G1275-F1277 VanDerWaalsContact O-CE2 3.32Å; G1275-F1277 WeakPolarHBondContact O-CE2 3.3Å; G1275-F1277 PolarHBondContact O-N 2.81Å; G1275-F1277 VanDerWaalsContact O-N 3.09Å; F1277-W1353 PolarHBondContact O-NE1 2.85Å; F1277-W1353 VanDerWaalsContact O-NE1 3.15Å; F1277-V1355 WeakPolarHBondContact O-CG2 3.49Å | ||
| 1278 | E | 79.8 | Confident | 81 | Confident | 156 Ų | 156 | 74 Ų | 74 | 73% | 0.729 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -85.8 | -24.8 | 172.3 | -64.4 | -174.5 | 162.4 | 0 | 0 | 112.7 | V1355 K1356 | E1278-V1355 WeakPolarHBondContact O-CA 3.39Å; E1278-K1356 PolarHBondContact O-N 3.37Å |
| 1279 | N | 79.1 | Confident | 81.4 | Confident | 91 Ų | 91 | 67.8 Ų | 67.8 | 49% | 0.487 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 142.4 | 175.7 | -53.5 | -90.8 | 0 | 0 | 0 | 108.3 | K1356 | N1279-K1356 CarbonylContact C-O 3.48Å; N1279-K1356 VanDerWaalsContact CA-O 3.25Å; N1279-K1356 WeakPolarHBondContact CA-O 3.28Å |
| 1280 | A | 79.9 | Confident | 81.9 | Confident | 8 Ų | 8 | 60.6 Ų | 60.6 | 7% | 0.066 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 156.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q1286 F1331 V1355 K1356 A1357 E1358 | A1280-Q1286 HydrophobicContact CB-CG 4.27Å; A1280-F1331 HydrophobicContact CB-CD2 3.62Å; A1280-F1331 HydrophobicContact CB-CE2 3.63Å; A1280-V1355 HydrophobicContact CB-CG1 3.82Å; A1280-K1356 PolarHBondContact N-O 3.07Å; A1280-A1357 CarbonylContact O-C 3.58Å; A1280-A1357 WeakPolarHBondContact O-CA 3.17Å; A1280-E1358 PolarHBondContact O-N 3.19Å |
| 1281 | I | 80 | Confident | 81.9 | Confident | 77 Ų | 77 | 66.4 Ų | 66.4 | 40% | 0.395 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 132.6 | 176.1 | -59 | 178.1 | 0 | 0 | 0 | 109.3 | G1283 E1284 | I1281-G1283 PolarHBondContact O-N 3.43Å; I1281-E1284 HydrophobicContact CB-CB 3.97Å; I1281-E1284 HydrophobicContact CG2-CB 4.49Å; I1281-E1284 WeakPolarHBondContact O-CB 3.08Å; I1281-E1284 PolarHBondContact O-N 2.64Å; I1281-E1284 VanDerWaalsContact O-N 3.1Å |
| 1282 | V | 78.2 | Confident | 81.7 | Confident | 41 Ų | 41 | 62.5 Ų | 62.5 | 25% | 0.248 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 127.9 | 174.6 | 177.4 | 0 | 0 | 0 | 0 | 109.8 | P1334 A1357 E1358 | V1282-P1334 HydrophobicContact CG2-CB 4.16Å; V1282-P1334 HydrophobicContact CG2-CG 3.99Å; V1282-A1357 HydrophobicContact CG2-CB 3.86Å; V1282-E1358 PolarHBondContact N-O 2.73Å; V1282-E1358 VanDerWaalsContact N-O 3.11Å |
| 1283 | G | 75 | Confident | 80.6 | Confident | 59 Ų | 59 | 66.6 Ų | 66.6 | 61% | 0.608 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | -2.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | I1281 T1330 F1331 | I1281-G1283 PolarHBondContact O-N 3.43Å; G1283-T1330 VanDerWaalsContact C-CG2 3.46Å; G1283-F1331 PolarHBondContact N-O 3.04Å |
| 1284 | E | 78.2 | Confident | 79.1 | Confident | 96 Ų | 96 | 67.9 Ų | 67.9 | 45% | 0.449 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -91.5 | 125.6 | 172.9 | -174.7 | 179 | -131.2 | 0 | 0 | 110.7 | I1281 Q1286 | I1281-E1284 HydrophobicContact CB-CB 3.97Å; I1281-E1284 HydrophobicContact CG2-CB 4.49Å; I1281-E1284 WeakPolarHBondContact O-CB 3.08Å; I1281-E1284 PolarHBondContact O-N 2.64Å; I1281-E1284 VanDerWaalsContact O-N 3.1Å; E1284-Q1286 PolarHBondContact O-N 3.02Å; E1284-Q1286 PolarHBondContact O-NE2 3.04Å; E1284-Q1286 PolarHBondContact OE2-NE2 3.49Å |
| 1285 | E | 83.3 | Confident | 78.1 | Confident | 126 Ų | 126 | 65.1 Ų | 65.1 | 59% | 0.589 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 124 | 176.6 | -174 | 178.7 | 81.6 | 0 | 0 | 110.9 | F1328 T1330 | E1285-F1328 HydrophobicContact CG-CB 4.4Å; E1285-F1328 HydrophobicContact CG-CD1 4.44Å; E1285-T1330 WeakPolarHBondContact CA-OG1 3.49Å |
| 1286 | Q | 85.1 | Confident | 77.1 | Confident | 10 Ų | 10 | 66.9 Ų | 66.9 | 5% | 0.047 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 137.6 | 177.2 | -50.1 | -61.4 | -65.1 | 0 | 0 | 108.9 | A1280 E1284 F1328 Y1329 F1331 | A1280-Q1286 HydrophobicContact CB-CG 4.27Å; E1284-Q1286 PolarHBondContact O-N 3.02Å; E1284-Q1286 PolarHBondContact O-NE2 3.04Å; E1284-Q1286 PolarHBondContact OE2-NE2 3.49Å; Q1286-F1328 WeakPolarHBondContact O-CA 3.43Å; Q1286-Y1329 HydrophobicContact CB-CD2 3.95Å; Q1286-Y1329 HydrophobicContact CB-CE1 4.29Å; Q1286-Y1329 HydrophobicContact CB-CE2 3.53Å; Q1286-Y1329 HydrophobicContact CB-CG 4.47Å; Q1286-Y1329 HydrophobicContact CG-CD2 4.26Å; Q1286-Y1329 HydrophobicContact CG-CE2 3.85Å; Q1286-Y1329 PolarHBondContact N-O 2.94Å; Q1286-Y1329 PolarHBondContact O-N 3.08Å; Q1286-F1331 HydrophobicContact CG-CD2 4.23Å; Q1286-F1331 HydrophobicContact CG-CE2 4.05Å |
| 1287 | C | 86.7 | Confident | 76.5 | Confident | 48 Ų | 48 | 70.9 Ų | 70.9 | 32% | 0.324 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 123.3 | 174.8 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | G1275 I1327 F1328 | G1275-C1287 VanDerWaalsContact CA-O 3.28Å; G1275-C1287 WeakPolarHBondContact CA-O 3.47Å; C1287-I1327 CarbonylContact C-O 3.56Å; C1287-I1327 WeakPolarHBondContact CA-O 3.42Å; C1287-F1328 HydrophobicContact CB-CD1 3.91Å; C1287-F1328 HydrophobicContact CB-CE1 3.9Å; C1287-F1328 WeakPolarHBondContact SG-CE1 3.14Å |
| 1288 | V | 89.1 | Confident | 76.3 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 135.3 | 171.3 | 176.6 | 0 | 0 | 0 | 0 | 109.9 | I1272 G1275 V1290 I1327 Y1329 I1341 W1353 | I1272-V1288 HydrophobicContact CG2-CG1 3.56Å; G1275-V1288 WeakPolarHBondContact O-CG2 3.34Å; V1288-V1290 HydrophobicContact CG1-CG2 4.44Å; V1288-I1327 HydrophobicContact CB-CB 4.36Å; V1288-I1327 PolarHBondContact N-O 3.33Å; V1288-I1327 PolarHBondContact O-N 2.89Å; V1288-Y1329 HydrophobicContact CB-CE1 4.4Å; V1288-Y1329 HydrophobicContact CG2-CE1 3.66Å; V1288-Y1329 WeakPolarHBondContact CG2-OH 3.21Å; V1288-I1341 HydrophobicContact CB-CD1 4.18Å; V1288-I1341 HydrophobicContact CG1-CD1 3.52Å; V1288-W1353 HydrophobicContact CG1-CH2 4.21Å; V1288-W1353 HydrophobicContact CG2-CH2 3.95Å; V1288-W1353 HydrophobicContact CG2-CZ2 3.96Å |
| 1289 | K | 87.7 | Confident | 76.4 | Confident | 61 Ų | 61 | 65.3 Ų | 65.3 | 27% | 0.265 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 126.5 | -173.9 | -174.1 | 170.3 | 165.8 | -157 | 0 | 110.8 | I1272 T1273 E1274 V1324 L1326 | I1272-K1289 CarbonylContact C-O 3.53Å; I1272-K1289 WeakPolarHBondContact CA-O 3.46Å; T1273-K1289 PolarHBondContact N-O 2.89Å; E1274-K1289 HydrophobicContact CB-CB 4.06Å; E1274-K1289 HydrophobicContact CB-CD 4.42Å; E1274-K1289 PolarHBondContact O-N 3.44Å; E1274-K1289 WeakPolarHBondContact OE1-CD 3.48Å; E1274-K1289 WeakPolarHBondContact OE1-CE 3.41Å; E1274-K1289 IonicContact OE1-NZ 2.65Å; E1274-K1289 PolarHBondContact OE1-NZ 3.41Å; E1274-K1289 WeakPolarHBondContact OE2-CD 3.45Å; E1274-K1289 IonicContact OE2-NZ 3.86Å; E1274-K1289 PolarHBondContact OE2-NZ 3.45Å; K1289-V1324 HydrophobicContact CD-CG1 4.26Å; K1289-V1324 HydrophobicContact CG-CG1 3.5Å; K1289-V1324 VanDerWaalsContact CG-CG1 3.5Å; K1289-L1326 HydrophobicContact CB-CD2 3.89Å; K1289-L1326 HydrophobicContact CD-CD2 3.96Å; K1289-L1326 HydrophobicContact CG-CD2 3.65Å |
| 1290 | V | 88.7 | Confident | 76.8 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 121.9 | -173.9 | -170.2 | 0 | 0 | 0 | 0 | 109.2 | L1271 I1272 V1288 T1292 V1324 C1325 I1327 I1341 L1348 | L1271-V1290 CarbonylContact O-C 3.56Å; L1271-V1290 WeakPolarHBondContact O-CA 3.29Å; I1272-V1290 HydrophobicContact CG1-CG2 4.24Å; V1288-V1290 HydrophobicContact CG1-CG2 4.44Å; V1290-T1292 HydrophobicContact CG1-CG2 4.19Å; V1290-V1324 CarbonylContact O-C 3.57Å; V1290-V1324 WeakPolarHBondContact O-CA 3.3Å; V1290-C1325 HydrophobicContact CB-CB 4.2Å; V1290-C1325 PolarHBondContact N-O 3.49Å; V1290-C1325 PolarHBondContact O-N 3.42Å; V1290-I1327 HydrophobicContact CG2-CD1 3.73Å; V1290-I1341 HydrophobicContact CG2-CG2 4.26Å; V1290-L1348 HydrophobicContact CG1-CD1 3.64Å |
| 1291 | R | 81 | Confident | 77.2 | Confident | 126 Ų | 126 | 61.5 Ų | 61.5 | 48% | 0.475 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 129.6 | 167 | 173.7 | 167.6 | -88.2 | -145.1 | -19 | 109.6 | C1270 L1271 T1273 D1323 | C1270-R1291 CarbonylContact C-O 3.53Å; C1270-R1291 VanDerWaalsContact CA-O 3.23Å; C1270-R1291 WeakPolarHBondContact CA-O 3.4Å; C1270-R1291 WeakPolarHBondContact CB-O 3.5Å; L1271-R1291 PolarHBondContact N-O 2.84Å; L1271-R1291 PolarHBondContact O-N 2.9Å; T1273-R1291 HydrophobicContact CG2-CB 4.12Å; R1291-D1323 IonicContact CZ-OD2 2.71Å; R1291-D1323 IonicContact NH2-OD2 2.75Å; R1291-D1323 PolarHBondContact NH2-OD2 3.15Å |
| 1292 | T | 75.8 | Confident | 77.6 | Confident | 12 Ų | 12 | 58.1 Ų | 58.1 | 7% | 0.074 | 31% | 0.314 | C | S | . | . | trans | -120.1 | -27.7 | -171.9 | 53.8 | 0 | 0 | 0 | 0 | 114.2 | V1290 V1300 Q1320 D1323 C1325 Y1343 | V1290-T1292 HydrophobicContact CG1-CG2 4.19Å; T1292-V1300 HydrophobicContact CG2-CG2 3.47Å; T1292-V1300 VanDerWaalsContact CG2-CG2 3.47Å; T1292-Q1320 PolarHBondContact OG1-NE2 2.78Å; T1292-D1323 PolarHBondContact N-O 3.31Å; T1292-D1323 PolarHBondContact OG1-O 2.69Å; T1292-C1325 HydrophobicContact CG2-CB 4.04Å; T1292-Y1343 HydrophobicContact CG2-CD2 4.24Å; T1292-Y1343 HydrophobicContact CG2-CE2 4.27Å | ||
| 1293 | E | 62.2 | Low | 78 | Confident | 103 Ų | 103 | 57.4 Ų | 57.4 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 154.9 | -178.4 | -108.5 | -141.1 | -163.6 | 0 | 0 | 114.1 | H1295 D1323 | E1293-H1295 PolarHBondContact O-CD2 3.2Å; E1293-D1323 HydrophobicContact CB-CB 3.94Å; E1293-D1323 PolarHBondContact N-O 3.32Å |
| 1294 | P | 49.9 | Very low | 78.7 | Confident | 94 Ų | 94 | 54.6 Ų | 54.6 | 61% | 0.61 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -107 | 81.2 | -21.3 | 33.9 | -31.2 | 0 | 0 | 0 | 110.8 | ||
| 1295 | H | 59.6 | Low | 79.1 | Confident | 47 Ų | 47 | 50.9 Ų | 50.9 | 22% | 0.218 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -127.3 | 15.5 | -159.1 | -62.7 | -32.1 | 0 | 0 | 0 | 116.9 | G1265 N1266 R1269 E1293 | G1265-H1295 WeakPolarHBondContact CA-O 3.5Å; N1266-H1295 PolarHBondContact N-O 2.79Å; R1269-H1295 HydrophobicContact CB-CB 4.09Å; R1269-H1295 WeakPolarHBondContact CB-CD2 3.04Å; R1269-H1295 WeakPolarHBondContact CD-ND1 3.18Å; R1269-H1295 PolarHBondContact NH1-ND1 3.41Å; E1293-H1295 PolarHBondContact O-CD2 3.2Å |
| 1296 | G | 59.9 | Low | 79.1 | Confident | 49 Ų | 49 | 45.9 Ų | 45.9 | 51% | 0.505 | 24% | 0.24 | S | C | . | . | trans | 135.8 | -174.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1298 Y1343 | G1296-G1298 PolarHBondContact O-N 3.48Å; G1296-Y1343 WeakPolarHBondContact CA-OH 3.4Å; G1296-Y1343 PolarHBondContact N-OH 2.92Å; G1296-Y1343 PolarHBondContact O-OH 2.77Å | ||
| 1297 | E | 68.1 | Low | 78.9 | Confident | 190 Ų | 190 | 48.4 Ų | 48.4 | 89% | 0.888 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -91.8 | 26.5 | 173.7 | -60.4 | -175.6 | 149.6 | 0 | 0 | 111.8 | V1264 K1299 | V1264-E1297 HydrophobicContact CG1-CB 4.48Å; E1297-K1299 PolarHBondContact O-N 3.06Å |
| 1298 | G | 74.9 | Confident | 78.4 | Confident | 12 Ų | 12 | 52.1 Ų | 52.1 | 12% | 0.124 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 127.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | V1264 G1296 Y1343 | V1264-G1298 WeakPolarHBondContact O-CA 3.38Å; G1296-G1298 PolarHBondContact O-N 3.48Å; G1298-Y1343 PolarHBondContact N-OH 2.88Å; G1298-Y1343 WeakPolarHBondContact O-CD2 3.11Å; G1298-Y1343 WeakPolarHBondContact O-CE2 3.46Å |
| 1299 | K | 82.7 | Confident | 77.5 | Confident | 122 Ų | 122 | 57.4 Ų | 57.4 | 53% | 0.53 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 135.4 | 170.6 | -175.6 | -170 | 172.6 | -168.8 | 0 | 110.3 | E1236 E1297 T1301 Y1343 G1344 | E1236-K1299 IonicContact OE1-NZ 3.56Å; E1236-K1299 PolarHBondContact OE1-NZ 3.44Å; E1297-K1299 PolarHBondContact O-N 3.06Å; K1299-T1301 HydrophobicContact CD-CG2 3.95Å; K1299-T1301 HydrophobicContact CG-CG2 4.17Å; K1299-Y1343 WeakPolarHBondContact O-CA 3.38Å; K1299-G1344 PolarHBondContact O-N 2.81Å |
| 1300 | V | 86.7 | Confident | 76.4 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.024 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 132.2 | 166.3 | 175.6 | 0 | 0 | 0 | 0 | 109.8 | T1292 V1318 C1325 I1327 I1341 R1342 Y1343 | T1292-V1300 HydrophobicContact CG2-CG2 3.47Å; T1292-V1300 VanDerWaalsContact CG2-CG2 3.47Å; V1300-V1318 HydrophobicContact CB-CG1 4.48Å; V1300-V1318 HydrophobicContact CG1-CG1 4.46Å; V1300-C1325 HydrophobicContact CB-CB 4.17Å; V1300-C1325 HydrophobicContact CG1-CB 4.3Å; V1300-C1325 HydrophobicContact CG2-CB 3.84Å; V1300-I1327 HydrophobicContact CG1-CD1 3.8Å; V1300-I1327 HydrophobicContact CG1-CG1 4.31Å; V1300-I1341 HydrophobicContact CG1-CG2 4.12Å; V1300-R1342 WeakPolarHBondContact CA-O 3.39Å; V1300-Y1343 HydrophobicContact CG2-CD2 3.88Å |
| 1301 | T | 87.8 | Confident | 75.1 | Confident | 14 Ų | 14 | 63 Ų | 63 | 9% | 0.086 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 148.4 | 175.7 | 60.8 | 0 | 0 | 0 | 0 | 110.5 | E1236 K1299 I1341 R1342 | E1236-T1301 HydrophobicContact CB-CG2 4.27Å; E1236-T1301 HydrophobicContact CG-CG2 4.39Å; E1236-T1301 WeakPolarHBondContact OE2-CG2 3.48Å; K1299-T1301 HydrophobicContact CD-CG2 3.95Å; K1299-T1301 HydrophobicContact CG-CG2 4.17Å; T1301-I1341 WeakPolarHBondContact O-CA 3.42Å; T1301-R1342 PolarHBondContact N-O 3.5Å; T1301-R1342 PolarHBondContact O-N 3.43Å |
| 1302 | C | 89 | Confident | 74.2 | Confident | 7 Ų | 7 | 64.4 Ų | 64.4 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 133 | -179.7 | -169.9 | 0 | 0 | 0 | 0 | 110 | Q1313 T1316 I1327 I1341 | C1302-Q1313 PolarHBondContact O-NE2 2.89Å; C1302-T1316 HydrophobicContact CB-CG2 4.21Å; C1302-I1327 HydrophobicContact CB-CD1 4.36Å; C1302-I1327 HydrophobicContact CB-CG2 3.65Å; C1302-I1341 HydrophobicContact CB-CG1 4.3Å |
| 1303 | Q | 87.4 | Confident | 74.2 | Confident | 25 Ų | 25 | 68.7 Ų | 68.7 | 12% | 0.117 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 124.1 | 175.9 | -167.7 | -174 | 40.7 | 0 | 0 | 109 | L1305 Q1313 S1340 | Q1303-L1305 HydrophobicContact CG-CD1 4.44Å; Q1303-L1305 HydrophobicContact CG-CD2 4.11Å; Q1303-L1305 HydrophobicContact CG-CG 4.09Å; Q1303-Q1313 HydrophobicContact CG-CG 4.49Å; Q1303-S1340 PolarHBondContact N-O 2.82Å; Q1303-S1340 PolarHBondContact O-N 2.81Å |
| 1304 | I | 89.4 | Confident | 75 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 109.7 | -177.2 | -57 | -174.6 | 0 | 0 | 0 | 108.6 | Q1313 V1314 T1316 Y1329 F1331 Y1337 R1338 V1339 | I1304-Q1313 CarbonylContact O-C 3.56Å; I1304-Q1313 WeakPolarHBondContact O-CA 3.5Å; I1304-V1314 HydrophobicContact CB-CB 4.03Å; I1304-V1314 HydrophobicContact CB-CG2 4.45Å; I1304-V1314 HydrophobicContact CG2-CB 3.94Å; I1304-V1314 HydrophobicContact CG2-CG2 3.91Å; I1304-V1314 PolarHBondContact O-N 3.08Å; I1304-T1316 HydrophobicContact CD1-CG2 3.71Å; I1304-T1316 HydrophobicContact CG1-CG2 4Å; I1304-Y1329 HydrophobicContact CD1-CD1 3.59Å; I1304-Y1329 HydrophobicContact CD1-CD2 3.38Å; I1304-Y1329 HydrophobicContact CD1-CE1 3.95Å; I1304-Y1329 HydrophobicContact CD1-CE2 3.78Å; I1304-Y1329 HydrophobicContact CD1-CG 3.28Å; I1304-F1331 HydrophobicContact CG2-CE1 3.83Å; I1304-Y1337 HydrophobicContact CG2-CD1 4.08Å; I1304-R1338 WeakPolarHBondContact CA-O 3.28Å; I1304-V1339 HydrophobicContact CD1-CG1 4.33Å; I1304-V1339 HydrophobicContact CD1-CG2 4.09Å; I1304-V1339 HydrophobicContact CG1-CB 4.39Å; I1304-V1339 HydrophobicContact CG1-CG1 4.14Å; I1304-V1339 HydrophobicContact CG1-CG2 4.05Å; I1304-V1339 HydrophobicContact CG2-CG2 4.18Å |
| 1305 | L | 85.4 | Confident | 76.5 | Confident | 18 Ų | 18 | 68.6 Ų | 68.6 | 9% | 0.094 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 133.5 | -175.2 | -57.3 | -179.1 | 0 | 0 | 0 | 110.7 | L1215 Q1303 V1307 P1310 Q1313 Y1337 R1338 | L1215-L1305 HydrophobicContact CD1-CD1 3.77Å; Q1303-L1305 HydrophobicContact CG-CD1 4.44Å; Q1303-L1305 HydrophobicContact CG-CD2 4.11Å; Q1303-L1305 HydrophobicContact CG-CG 4.09Å; L1305-V1307 PolarHBondContact O-N 3.32Å; L1305-P1310 HydrophobicContact CD1-CB 4.46Å; L1305-Q1313 HydrophobicContact CD2-CB 3.9Å; L1305-Q1313 HydrophobicContact CD2-CG 4.41Å; L1305-Y1337 CarbonylContact O-C 3.43Å; L1305-Y1337 WeakPolarHBondContact O-CA 3.46Å; L1305-R1338 PolarHBondContact N-O 3.25Å; L1305-R1338 PolarHBondContact O-N 3.2Å |
| 1306 | P | 84.6 | Confident | 77.6 | Confident | 21 Ų | 21 | 68 Ų | 68 | 14% | 0.136 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 135.3 | 164.8 | -15.9 | 25.8 | 0 | 0 | 0 | 109.9 | D1308 M1309 P1310 K1312 Y1337 | P1306-D1308 VanDerWaalsContact C-N 3.28Å; P1306-D1308 PolarHBondContact O-N 2.89Å; P1306-M1309 HydrophobicContact CB-CB 4.16Å; P1306-M1309 WeakPolarHBondContact CD-O 3.43Å; P1306-M1309 HydrophobicContact CG-CB 4.47Å; P1306-M1309 CarbonylContact O-C 3.59Å; P1306-M1309 PolarHBondContact O-N 2.65Å; P1306-P1310 WeakPolarHBondContact O-CA 3.46Å; P1306-K1312 WeakPolarHBondContact CD-O 3.47Å; P1306-Y1337 HydrophobicContact CB-CD1 4.32Å; P1306-Y1337 HydrophobicContact CB-CE1 4.16Å; P1306-Y1337 HydrophobicContact CG-CD1 4.14Å; P1306-Y1337 HydrophobicContact CG-CE1 3.75Å |
| 1307 | V | 81.6 | Confident | 78.5 | Confident | 64 Ų | 64 | 69.9 Ų | 69.9 | 39% | 0.388 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -64 | -38.2 | 178.5 | 173.7 | 0 | 0 | 0 | 0 | 111 | L1305 Y1336 L1354 | L1305-V1307 PolarHBondContact O-N 3.32Å; V1307-Y1336 WeakPolarHBondContact CG2-O 3.5Å; V1307-Y1336 PolarHBondContact N-O 3.02Å; V1307-L1354 HydrophobicContact CG2-CD1 3.73Å; V1307-L1354 HydrophobicContact CG2-CG 4.32Å |
| 1308 | D | 75.7 | Confident | 79.3 | Confident | 126 Ų | 126 | 63.6 Ų | 63.6 | 67% | 0.674 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -82.4 | -17.6 | -177.3 | -47.2 | -58.1 | 0 | 0 | 0 | 113 | P1306 | P1306-D1308 VanDerWaalsContact C-N 3.28Å; P1306-D1308 PolarHBondContact O-N 2.89Å |
| 1309 | M | 70.1 | Confident | 79.5 | Confident | 110 Ų | 110 | 66.4 Ų | 66.4 | 54% | 0.542 | 35% | 0.347 | S | S | . | . | trans | -145 | 69.7 | -174.8 | -81.9 | -72.4 | -74.9 | 0 | 0 | 111.1 | P1306 T1311 K1312 | P1306-M1309 HydrophobicContact CB-CB 4.16Å; P1306-M1309 WeakPolarHBondContact CD-O 3.43Å; P1306-M1309 HydrophobicContact CG-CB 4.47Å; P1306-M1309 CarbonylContact O-C 3.59Å; P1306-M1309 PolarHBondContact O-N 2.65Å; M1309-T1311 PolarHBondContact O-N 3.1Å; M1309-K1312 PolarHBondContact O-N 3.42Å | ||
| 1310 | P | 64.1 | Low | 79.3 | Confident | 63 Ų | 63 | 65.6 Ų | 65.6 | 41% | 0.409 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 3.5 | -170.1 | 28.9 | -36.9 | 0 | 0 | 0 | 115.5 | L1305 P1306 | L1305-P1310 HydrophobicContact CD1-CB 4.46Å; P1306-P1310 WeakPolarHBondContact O-CA 3.46Å |
| 1311 | T | 61.2 | Low | 78.7 | Confident | 116 Ų | 116 | 72.1 Ų | 72.1 | 71% | 0.712 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -8.9 | 179.4 | 52.9 | 0 | 0 | 0 | 0 | 114.4 | M1309 | M1309-T1311 PolarHBondContact O-N 3.1Š|
| 1312 | K | 61.4 | Low | 78 | Confident | 156 Ų | 156 | 78.3 Ų | 78.3 | 68% | 0.678 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -111.6 | 101.3 | 175.4 | -82.8 | -169.7 | 172 | -174.8 | 0 | 111.1 | P1306 M1309 | P1306-K1312 WeakPolarHBondContact CD-O 3.47Å; M1309-K1312 PolarHBondContact O-N 3.42Å |
| 1313 | Q | 75.8 | Confident | 77.1 | Confident | 102 Ų | 102 | 80.5 Ų | 80.5 | 48% | 0.477 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 139.7 | 171.8 | -178.6 | 166.3 | -18.2 | 0 | 0 | 111.4 | C1302 Q1303 I1304 L1305 | C1302-Q1313 PolarHBondContact O-NE2 2.89Å; Q1303-Q1313 HydrophobicContact CG-CG 4.49Å; I1304-Q1313 CarbonylContact O-C 3.56Å; I1304-Q1313 WeakPolarHBondContact O-CA 3.5Å; L1305-Q1313 HydrophobicContact CD2-CB 3.9Å; L1305-Q1313 HydrophobicContact CD2-CG 4.41Å |
| 1314 | V | 80.8 | Confident | 76.7 | Confident | 16 Ų | 16 | 80.8 Ų | 80.8 | 10% | 0.097 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 136.1 | 167.8 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | I1304 T1330 P1332 Y1337 | I1304-V1314 HydrophobicContact CB-CB 4.03Å; I1304-V1314 HydrophobicContact CB-CG2 4.45Å; I1304-V1314 HydrophobicContact CG2-CB 3.94Å; I1304-V1314 HydrophobicContact CG2-CG2 3.91Å; I1304-V1314 PolarHBondContact O-N 3.08Å; V1314-T1330 WeakPolarHBondContact CG1-O 3.43Å; V1314-P1332 HydrophobicContact CG2-CG 4.47Å; V1314-Y1337 HydrophobicContact CG2-CD1 3.95Å; V1314-Y1337 HydrophobicContact CG2-CE1 3.58Å |
| 1315 | E | 79.6 | Confident | 76.3 | Confident | 178 Ų | 178 | 80.9 Ų | 80.9 | 83% | 0.832 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 142.2 | 178.1 | -64.1 | -178.1 | 166.4 | 0 | 0 | 111.4 | ||
| 1316 | T | 84.3 | Confident | 76.4 | Confident | 35 Ų | 35 | 81.1 Ų | 81.1 | 22% | 0.215 | 42% | 0.418 | C | S | . | . | trans | -137.4 | 128.8 | -178.5 | 69.2 | 0 | 0 | 0 | 0 | 110.7 | C1302 I1304 F1328 | C1302-T1316 HydrophobicContact CB-CG2 4.21Å; I1304-T1316 HydrophobicContact CD1-CG2 3.71Å; I1304-T1316 HydrophobicContact CG1-CG2 4Å; T1316-F1328 CarbonylContact C-O 3.59Å; T1316-F1328 WeakPolarHBondContact CA-O 3.02Å | ||
| 1317 | T | 78.9 | Confident | 76.7 | Confident | 89 Ų | 89 | 80.1 Ų | 80.1 | 55% | 0.546 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 131 | 172.7 | -55.1 | 0 | 0 | 0 | 0 | 109.3 | I1327 F1328 | T1317-I1327 CarbonylContact O-C 3.57Å; T1317-I1327 WeakPolarHBondContact O-CA 3.4Å; T1317-F1328 PolarHBondContact N-O 3.08Å; T1317-F1328 PolarHBondContact O-N 3.29Å |
| 1318 | V | 83.3 | Confident | 76.9 | Confident | 58 Ų | 58 | 79 Ų | 79 | 35% | 0.352 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 111.5 | -177.8 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | V1300 C1325 L1326 I1327 | V1300-V1318 HydrophobicContact CB-CG1 4.48Å; V1300-V1318 HydrophobicContact CG1-CG1 4.46Å; V1318-C1325 WeakPolarHBondContact CG1-SG 3.5Å; V1318-L1326 CarbonylContact C-O 3.57Å; V1318-L1326 WeakPolarHBondContact CA-O 3.22Å; V1318-I1327 HydrophobicContact CG1-CG1 4.4Å; V1318-I1327 HydrophobicContact CG2-CG1 4.36Å; V1318-I1327 HydrophobicContact CG2-CG2 4.4Å |
| 1319 | E | 79.9 | Confident | 77.4 | Confident | 71 Ų | 71 | 73.2 Ų | 73.2 | 33% | 0.332 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 121.9 | 177.1 | -67.4 | -170 | 171.5 | 0 | 0 | 111.2 | R1321 C1325 L1326 F1328 | E1319-R1321 IonicContact OE1-NH2 3.83Å; E1319-R1321 IonicContact OE2-CZ 2.65Å; E1319-R1321 IonicContact OE2-NE 3.75Å; E1319-R1321 PolarHBondContact OE2-NE 3.15Å; E1319-R1321 IonicContact OE2-NH2 3.44Å; E1319-R1321 PolarHBondContact OE2-NH2 3.05Å; E1319-C1325 CarbonylContact O-C 3.54Å; E1319-C1325 WeakPolarHBondContact O-CA 3.36Å; E1319-L1326 HydrophobicContact CB-CB 4.45Å; E1319-L1326 PolarHBondContact N-O 3.42Å; E1319-L1326 PolarHBondContact O-N 3.41Å; E1319-F1328 HydrophobicContact CG-CE2 4.27Å |
| 1320 | Q | 78.6 | Confident | 78.2 | Confident | 105 Ų | 105 | 70.5 Ų | 70.5 | 49% | 0.491 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 129.4 | 166.8 | -167.6 | 68.1 | 30.5 | 0 | 0 | 110.2 | T1292 D1322 C1325 | T1292-Q1320 PolarHBondContact OG1-NE2 2.78Å; Q1320-D1322 PolarHBondContact NE2-O 2.9Å; Q1320-C1325 PolarHBondContact OE1-SG 2.94Å |
| 1321 | R | 73.1 | Confident | 79.2 | Confident | 141 Ų | 141 | 67.5 Ų | 67.5 | 53% | 0.532 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 96.4 | 175.7 | -59.6 | -173.8 | -175.6 | -162.3 | 3.7 | 108.6 | E1319 D1323 V1324 | E1319-R1321 IonicContact OE1-NH2 3.83Å; E1319-R1321 IonicContact OE2-CZ 2.65Å; E1319-R1321 IonicContact OE2-NE 3.75Å; E1319-R1321 PolarHBondContact OE2-NE 3.15Å; E1319-R1321 IonicContact OE2-NH2 3.44Å; E1319-R1321 PolarHBondContact OE2-NH2 3.05Å; R1321-D1323 PolarHBondContact O-N 2.9Å; R1321-V1324 CarbonylContact C-O 3.53Å; R1321-V1324 WeakPolarHBondContact CA-O 3.16Å; R1321-V1324 PolarHBondContact N-O 3.3Å; R1321-V1324 PolarHBondContact O-N 3.35Å |
| 1322 | D | 72.8 | Confident | 80.1 | Confident | 144 Ų | 144 | 65.2 Ų | 65.2 | 77% | 0.77 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | -126.4 | -175.7 | -48.4 | -41 | 0 | 0 | 0 | 111.6 | Q1320 V1324 | Q1320-D1322 PolarHBondContact NE2-O 2.9Å; D1322-V1324 PolarHBondContact O-N 2.74Å |
| 1323 | D | 70.8 | Confident | 81.1 | Confident | 53 Ų | 53 | 63.5 Ų | 63.5 | 28% | 0.283 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -15.3 | 174.8 | -56.6 | 30.3 | 0 | 0 | 0 | 115.9 | R1291 T1292 E1293 R1321 | R1291-D1323 IonicContact CZ-OD2 2.71Å; R1291-D1323 IonicContact NH2-OD2 2.75Å; R1291-D1323 PolarHBondContact NH2-OD2 3.15Å; T1292-D1323 PolarHBondContact N-O 3.31Å; T1292-D1323 PolarHBondContact OG1-O 2.69Å; E1293-D1323 HydrophobicContact CB-CB 3.94Å; E1293-D1323 PolarHBondContact N-O 3.32Å; R1321-D1323 PolarHBondContact O-N 2.9Å |
| 1324 | V | 78.7 | Confident | 81.5 | Confident | 31 Ų | 31 | 62.5 Ų | 62.5 | 19% | 0.188 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 128.2 | -160.8 | -179.4 | 0 | 0 | 0 | 0 | 112 | K1289 V1290 R1321 D1322 L1326 | K1289-V1324 HydrophobicContact CD-CG1 4.26Å; K1289-V1324 HydrophobicContact CG-CG1 3.5Å; K1289-V1324 VanDerWaalsContact CG-CG1 3.5Å; V1290-V1324 CarbonylContact O-C 3.57Å; V1290-V1324 WeakPolarHBondContact O-CA 3.3Å; R1321-V1324 CarbonylContact C-O 3.53Å; R1321-V1324 WeakPolarHBondContact CA-O 3.16Å; R1321-V1324 PolarHBondContact N-O 3.3Å; R1321-V1324 PolarHBondContact O-N 3.35Å; D1322-V1324 PolarHBondContact O-N 2.74Å; V1324-L1326 HydrophobicContact CG1-CD2 4.28Å |
| 1325 | C | 81.5 | Confident | 81.6 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.007 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 134.9 | 167.5 | -147.2 | 0 | 0 | 0 | 0 | 110.6 | V1290 T1292 V1300 V1318 E1319 Q1320 | V1290-C1325 HydrophobicContact CB-CB 4.2Å; V1290-C1325 PolarHBondContact N-O 3.49Å; V1290-C1325 PolarHBondContact O-N 3.42Å; T1292-C1325 HydrophobicContact CG2-CB 4.04Å; V1300-C1325 HydrophobicContact CB-CB 4.17Å; V1300-C1325 HydrophobicContact CG1-CB 4.3Å; V1300-C1325 HydrophobicContact CG2-CB 3.84Å; V1318-C1325 WeakPolarHBondContact CG1-SG 3.5Å; E1319-C1325 CarbonylContact O-C 3.54Å; E1319-C1325 WeakPolarHBondContact O-CA 3.36Å; Q1320-C1325 PolarHBondContact OE1-SG 2.94Å |
| 1326 | L | 87.2 | Confident | 82.1 | Confident | 24 Ų | 24 | 59.4 Ų | 59.4 | 13% | 0.126 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 131.5 | 173.3 | -62.4 | 173.4 | 0 | 0 | 0 | 109.2 | K1289 V1318 E1319 V1324 F1328 | K1289-L1326 HydrophobicContact CB-CD2 3.89Å; K1289-L1326 HydrophobicContact CD-CD2 3.96Å; K1289-L1326 HydrophobicContact CG-CD2 3.65Å; V1318-L1326 CarbonylContact C-O 3.57Å; V1318-L1326 WeakPolarHBondContact CA-O 3.22Å; E1319-L1326 HydrophobicContact CB-CB 4.45Å; E1319-L1326 PolarHBondContact N-O 3.42Å; E1319-L1326 PolarHBondContact O-N 3.41Å; V1324-L1326 HydrophobicContact CG1-CD2 4.28Å; L1326-F1328 HydrophobicContact CB-CD2 4.35Å; L1326-F1328 HydrophobicContact CB-CE2 3.54Å; L1326-F1328 HydrophobicContact CB-CZ 3.97Å; L1326-F1328 HydrophobicContact CD1-CE2 4.31Å; L1326-F1328 HydrophobicContact CD1-CZ 4.09Å |
| 1327 | I | 90.1 | Very high | 82.4 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 112.7 | -176.7 | -56.1 | 161.7 | 0 | 0 | 0 | 107.8 | C1287 V1288 V1290 V1300 C1302 T1317 V1318 Y1329 I1341 | C1287-I1327 CarbonylContact C-O 3.56Å; C1287-I1327 WeakPolarHBondContact CA-O 3.42Å; V1288-I1327 HydrophobicContact CB-CB 4.36Å; V1288-I1327 PolarHBondContact N-O 3.33Å; V1288-I1327 PolarHBondContact O-N 2.89Å; V1290-I1327 HydrophobicContact CG2-CD1 3.73Å; V1300-I1327 HydrophobicContact CG1-CD1 3.8Å; V1300-I1327 HydrophobicContact CG1-CG1 4.31Å; C1302-I1327 HydrophobicContact CB-CD1 4.36Å; C1302-I1327 HydrophobicContact CB-CG2 3.65Å; T1317-I1327 CarbonylContact O-C 3.57Å; T1317-I1327 WeakPolarHBondContact O-CA 3.4Å; V1318-I1327 HydrophobicContact CG1-CG1 4.4Å; V1318-I1327 HydrophobicContact CG2-CG1 4.36Å; V1318-I1327 HydrophobicContact CG2-CG2 4.4Å; I1327-Y1329 HydrophobicContact CG2-CD1 4.17Å; I1327-I1341 HydrophobicContact CD1-CD1 3.64Å; I1327-I1341 HydrophobicContact CD1-CG1 4.02Å; I1327-I1341 HydrophobicContact CD1-CG2 3.8Å |
| 1328 | F | 86.5 | Confident | 83 | Confident | 39 Ų | 39 | 59.4 Ų | 59.4 | 17% | 0.171 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 135.3 | -179 | -58.2 | -94.8 | 0 | 0 | 0 | 110.5 | E1285 Q1286 C1287 T1316 T1317 E1319 L1326 | E1285-F1328 HydrophobicContact CG-CB 4.4Å; E1285-F1328 HydrophobicContact CG-CD1 4.44Å; Q1286-F1328 WeakPolarHBondContact O-CA 3.43Å; C1287-F1328 HydrophobicContact CB-CD1 3.91Å; C1287-F1328 HydrophobicContact CB-CE1 3.9Å; C1287-F1328 WeakPolarHBondContact SG-CE1 3.14Å; T1316-F1328 CarbonylContact C-O 3.59Å; T1316-F1328 WeakPolarHBondContact CA-O 3.02Å; T1317-F1328 PolarHBondContact N-O 3.08Å; T1317-F1328 PolarHBondContact O-N 3.29Å; E1319-F1328 HydrophobicContact CG-CE2 4.27Å; L1326-F1328 HydrophobicContact CB-CD2 4.35Å; L1326-F1328 HydrophobicContact CB-CE2 3.54Å; L1326-F1328 HydrophobicContact CB-CZ 3.97Å; L1326-F1328 HydrophobicContact CD1-CE2 4.31Å; L1326-F1328 HydrophobicContact CD1-CZ 4.09Å |
| 1329 | Y | 86.6 | Confident | 83.3 | Confident | 6 Ų | 6 | 56.6 Ų | 56.6 | 2% | 0.024 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 153.8 | 178.2 | 58.4 | -91.3 | 0 | 0 | 0 | 112 | Q1286 V1288 I1304 I1327 F1331 | Q1286-Y1329 HydrophobicContact CB-CD2 3.95Å; Q1286-Y1329 HydrophobicContact CB-CE1 4.29Å; Q1286-Y1329 HydrophobicContact CB-CE2 3.53Å; Q1286-Y1329 HydrophobicContact CB-CG 4.47Å; Q1286-Y1329 HydrophobicContact CG-CD2 4.26Å; Q1286-Y1329 HydrophobicContact CG-CE2 3.85Å; Q1286-Y1329 PolarHBondContact N-O 2.94Å; Q1286-Y1329 PolarHBondContact O-N 3.08Å; V1288-Y1329 HydrophobicContact CB-CE1 4.4Å; V1288-Y1329 HydrophobicContact CG2-CE1 3.66Å; V1288-Y1329 WeakPolarHBondContact CG2-OH 3.21Å; I1304-Y1329 HydrophobicContact CD1-CD1 3.59Å; I1304-Y1329 HydrophobicContact CD1-CD2 3.38Å; I1304-Y1329 HydrophobicContact CD1-CE1 3.95Å; I1304-Y1329 HydrophobicContact CD1-CE2 3.78Å; I1304-Y1329 HydrophobicContact CD1-CG 3.28Å; I1327-Y1329 HydrophobicContact CG2-CD1 4.17Å; Y1329-F1331 HydrophobicContact CD2-CE1 4.5Å; Y1329-F1331 HydrophobicContact CD2-CE2 4.24Å; Y1329-F1331 HydrophobicContact CD2-CZ 4.11Å; Y1329-F1331 HydrophobicContact CE2-CE1 4.32Å; Y1329-F1331 AromaticContact CE2-CE2 3.67Å; Y1329-F1331 HydrophobicContact CE2-CE2 3.67Å; Y1329-F1331 AromaticContact CE2-CZ 3.55Å; Y1329-F1331 HydrophobicContact CE2-CZ 3.55Å |
| 1330 | T | 86.9 | Confident | 83.8 | Confident | 52 Ų | 52 | 53.4 Ų | 53.4 | 32% | 0.319 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 127.9 | -179 | -58.4 | 0 | 0 | 0 | 0 | 109.9 | G1283 E1285 V1314 P1332 | G1283-T1330 VanDerWaalsContact C-CG2 3.46Å; E1285-T1330 WeakPolarHBondContact CA-OG1 3.49Å; V1314-T1330 WeakPolarHBondContact CG1-O 3.43Å; T1330-P1332 WeakPolarHBondContact O-CD 3.38Å |
| 1331 | F | 85.7 | Confident | 84.5 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -73.9 | 120.2 | 176.9 | -66.7 | -68.6 | 0 | 0 | 0 | 110.6 | A1280 G1283 Q1286 I1304 Y1329 Y1337 V1339 V1355 A1357 | A1280-F1331 HydrophobicContact CB-CD2 3.62Å; A1280-F1331 HydrophobicContact CB-CE2 3.63Å; G1283-F1331 PolarHBondContact N-O 3.04Å; Q1286-F1331 HydrophobicContact CG-CD2 4.23Å; Q1286-F1331 HydrophobicContact CG-CE2 4.05Å; I1304-F1331 HydrophobicContact CG2-CE1 3.83Å; Y1329-F1331 HydrophobicContact CD2-CE1 4.5Å; Y1329-F1331 HydrophobicContact CD2-CE2 4.24Å; Y1329-F1331 HydrophobicContact CD2-CZ 4.11Å; Y1329-F1331 HydrophobicContact CE2-CE1 4.32Å; Y1329-F1331 AromaticContact CE2-CE2 3.67Å; Y1329-F1331 HydrophobicContact CE2-CE2 3.67Å; Y1329-F1331 AromaticContact CE2-CZ 3.55Å; Y1329-F1331 HydrophobicContact CE2-CZ 3.55Å; F1331-Y1337 HydrophobicContact CB-CE2 4.43Å; F1331-Y1337 AromaticContact CD1-CD1 3.88Å; F1331-Y1337 HydrophobicContact CD1-CD1 3.88Å; F1331-Y1337 AromaticContact CD1-CD2 3.51Å; F1331-Y1337 HydrophobicContact CD1-CD2 3.51Å; F1331-Y1337 HydrophobicContact CD1-CE1 4.14Å; F1331-Y1337 AromaticContact CD1-CE2 3.82Å; F1331-Y1337 HydrophobicContact CD1-CE2 3.82Å; F1331-Y1337 AromaticContact CD1-CG 3.54Å; F1331-Y1337 HydrophobicContact CD1-CG 3.54Å; F1331-Y1337 VanDerWaalsContact CE1-CB 3.49Å; F1331-Y1337 HydrophobicContact CE1-CD1 4.02Å; F1331-Y1337 AromaticContact CE1-CD2 3.85Å; F1331-Y1337 HydrophobicContact CE1-CD2 3.85Å; F1331-Y1337 AromaticContact CE1-CG 3.52Å; F1331-Y1337 HydrophobicContact CE1-CG 3.52Å; F1331-Y1337 HydrophobicContact CG-CD2 4.35Å; F1331-Y1337 HydrophobicContact CG-CE2 4.45Å; F1331-V1339 HydrophobicContact CZ-CG2 4.17Å; F1331-V1355 HydrophobicContact CE1-CB 4.48Å; F1331-V1355 HydrophobicContact CE2-CB 4.11Å; F1331-V1355 HydrophobicContact CE2-CG1 3.64Å; F1331-V1355 HydrophobicContact CE2-CG2 4.48Å; F1331-V1355 HydrophobicContact CZ-CB 3.69Å; F1331-V1355 HydrophobicContact CZ-CG1 3.78Å; F1331-V1355 HydrophobicContact CZ-CG2 3.91Å; F1331-A1357 HydrophobicContact CB-CB 3.78Å; F1331-A1357 HydrophobicContact CD2-CB 4.37Å; F1331-A1357 HydrophobicContact CG-CB 3.99Å | ||
| 1332 | P | 80 | Confident | 85.3 | Confident | 68 Ų | 68 | 42.4 Ų | 42.4 | 44% | 0.442 | 22% | 0.219 | S | C | . | . | trans | -82.3 | -21.2 | -173.7 | 31.2 | -35.3 | 0 | 0 | 0 | 113.9 | V1314 T1330 | V1314-P1332 HydrophobicContact CG2-CG 4.47Å; T1330-P1332 WeakPolarHBondContact O-CD 3.38Å | ||
| 1333 | H | 82.7 | Confident | 86 | Confident | 121 Ų | 121 | 35.9 Ų | 35.9 | 56% | 0.56 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -139.8 | 157.2 | -177.4 | -53 | 103.4 | 0 | 0 | 0 | 110.8 | Y1337 A1357 | H1333-Y1337 PolarHBondContact N-OH 3.08Å; H1333-Y1337 WeakPolarHBondContact O-CE2 3.11Å; H1333-Y1337 PolarHBondContact O-OH 3.4Å; H1333-A1357 WeakPolarHBondContact O-CB 3.45Å |
| 1334 | P | 82.5 | Confident | 86.7 | Confident | 80 Ų | 80 | 33.5 Ų | 33.5 | 52% | 0.519 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -66.1 | 147.3 | 167.8 | -13.1 | 27 | 0 | 0 | 0 | 111.1 | V1282 A1357 P1359 | V1282-P1334 HydrophobicContact CG2-CB 4.16Å; V1282-P1334 HydrophobicContact CG2-CG 3.99Å; P1334-A1357 VanDerWaalsContact CA-O 3.28Å; P1334-A1357 WeakPolarHBondContact CA-O 3.36Å; P1334-P1359 HydrophobicContact CB-CG 4.3Å; P1334-P1359 HydrophobicContact CG-CG 3.98Å |
| 1335 | G | 84.8 | Confident | 87 | Confident | 22 Ų | 22 | 32.2 Ų | 32.2 | 23% | 0.227 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 145.9 | -174.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1357 | G1335-A1357 PolarHBondContact N-O 2.94Å; G1335-A1357 PolarHBondContact O-N 3.42Å |
| 1336 | Y | 89.9 | Confident | 87.2 | Confident | 108 Ų | 108 | 35 Ų | 35 | 42% | 0.424 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 132.5 | 173.4 | -72.2 | -82.3 | 0 | 0 | 0 | 110.8 | V1307 L1354 V1355 K1356 | V1307-Y1336 WeakPolarHBondContact CG2-O 3.5Å; V1307-Y1336 PolarHBondContact N-O 3.02Å; Y1336-L1354 HydrophobicContact CD1-CD2 3.7Å; Y1336-L1354 HydrophobicContact CD1-CG 4.3Å; Y1336-L1354 HydrophobicContact CE1-CD2 4.4Å; Y1336-L1354 HydrophobicContact CG-CD2 4.28Å; Y1336-V1355 WeakPolarHBondContact CA-O 3.42Å; Y1336-K1356 HydrophobicContact CD1-CB 4.02Å; Y1336-K1356 HydrophobicContact CD1-CG 4.17Å; Y1336-K1356 HydrophobicContact CE1-CB 3.69Å; Y1336-K1356 HydrophobicContact CE1-CD 4.06Å; Y1336-K1356 HydrophobicContact CE1-CG 3.7Å; Y1336-K1356 HydrophobicContact CE2-CG 4.39Å |
| 1337 | Y | 90 | Very high | 87.2 | Confident | 9 Ų | 9 | 36.9 Ų | 36.9 | 4% | 0.035 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 143 | 175.6 | -69.3 | -99.3 | 0 | 0 | 0 | 110.1 | I1304 L1305 P1306 V1314 F1331 H1333 L1354 V1355 A1357 | I1304-Y1337 HydrophobicContact CG2-CD1 4.08Å; L1305-Y1337 CarbonylContact O-C 3.43Å; L1305-Y1337 WeakPolarHBondContact O-CA 3.46Å; P1306-Y1337 HydrophobicContact CB-CD1 4.32Å; P1306-Y1337 HydrophobicContact CB-CE1 4.16Å; P1306-Y1337 HydrophobicContact CG-CD1 4.14Å; P1306-Y1337 HydrophobicContact CG-CE1 3.75Å; V1314-Y1337 HydrophobicContact CG2-CD1 3.95Å; V1314-Y1337 HydrophobicContact CG2-CE1 3.58Å; F1331-Y1337 HydrophobicContact CB-CE2 4.43Å; F1331-Y1337 AromaticContact CD1-CD1 3.88Å; F1331-Y1337 HydrophobicContact CD1-CD1 3.88Å; F1331-Y1337 AromaticContact CD1-CD2 3.51Å; F1331-Y1337 HydrophobicContact CD1-CD2 3.51Å; F1331-Y1337 HydrophobicContact CD1-CE1 4.14Å; F1331-Y1337 AromaticContact CD1-CE2 3.82Å; F1331-Y1337 HydrophobicContact CD1-CE2 3.82Å; F1331-Y1337 AromaticContact CD1-CG 3.54Å; F1331-Y1337 HydrophobicContact CD1-CG 3.54Å; F1331-Y1337 VanDerWaalsContact CE1-CB 3.49Å; F1331-Y1337 HydrophobicContact CE1-CD1 4.02Å; F1331-Y1337 AromaticContact CE1-CD2 3.85Å; F1331-Y1337 HydrophobicContact CE1-CD2 3.85Å; F1331-Y1337 AromaticContact CE1-CG 3.52Å; F1331-Y1337 HydrophobicContact CE1-CG 3.52Å; F1331-Y1337 HydrophobicContact CG-CD2 4.35Å; F1331-Y1337 HydrophobicContact CG-CE2 4.45Å; H1333-Y1337 PolarHBondContact N-OH 3.08Å; H1333-Y1337 WeakPolarHBondContact O-CE2 3.11Å; H1333-Y1337 PolarHBondContact O-OH 3.4Å; Y1337-L1354 CarbonylContact O-C 3.45Å; Y1337-L1354 WeakPolarHBondContact O-CA 3.34Å; Y1337-V1355 PolarHBondContact N-O 3.01Å; Y1337-V1355 PolarHBondContact O-N 2.66Å; Y1337-A1357 HydrophobicContact CD2-CB 4.11Å; Y1337-A1357 HydrophobicContact CE2-CB 3.93Å |
| 1338 | R | 90.6 | Very high | 87.1 | Confident | 114 Ų | 114 | 37 Ų | 37 | 43% | 0.43 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 114.2 | 168.3 | -176.8 | -174.5 | -62.2 | -173.5 | 5.3 | 108.6 | I1304 L1305 Q1352 W1353 L1354 | I1304-R1338 WeakPolarHBondContact CA-O 3.28Å; L1305-R1338 PolarHBondContact N-O 3.25Å; L1305-R1338 PolarHBondContact O-N 3.2Å; R1338-Q1352 HydrophobicContact CG-CG 3.97Å; R1338-W1353 WeakPolarHBondContact CA-O 3.46Å; R1338-L1354 HydrophobicContact CB-CD1 4.23Å |
| 1339 | V | 91.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 132.4 | 170.2 | 179.5 | 0 | 0 | 0 | 0 | 107.9 | I1304 F1331 I1341 Q1352 W1353 V1355 | I1304-V1339 HydrophobicContact CD1-CG1 4.33Å; I1304-V1339 HydrophobicContact CD1-CG2 4.09Å; I1304-V1339 HydrophobicContact CG1-CB 4.39Å; I1304-V1339 HydrophobicContact CG1-CG1 4.14Å; I1304-V1339 HydrophobicContact CG1-CG2 4.05Å; I1304-V1339 HydrophobicContact CG2-CG2 4.18Å; F1331-V1339 HydrophobicContact CZ-CG2 4.17Å; V1339-I1341 HydrophobicContact CG1-CD1 4.46Å; V1339-I1341 HydrophobicContact CG1-CG1 4.32Å; V1339-Q1352 CarbonylContact O-C 3.59Å; V1339-Q1352 VanDerWaalsContact O-CA 3.25Å; V1339-Q1352 WeakPolarHBondContact O-CA 3.1Å; V1339-W1353 HydrophobicContact CB-CD2 4.2Å; V1339-W1353 HydrophobicContact CB-CE3 4.4Å; V1339-W1353 HydrophobicContact CB-CH2 4.21Å; V1339-W1353 HydrophobicContact CB-CZ2 4.01Å; V1339-W1353 HydrophobicContact CB-CZ3 4.4Å; V1339-W1353 HydrophobicContact CG1-CD2 4.48Å; V1339-W1353 HydrophobicContact CG1-CE3 4.34Å; V1339-W1353 HydrophobicContact CG1-CH2 3.48Å; V1339-W1353 VanDerWaalsContact CG1-CH2 3.48Å; V1339-W1353 HydrophobicContact CG1-CZ2 3.65Å; V1339-W1353 HydrophobicContact CG1-CZ3 3.85Å; V1339-W1353 HydrophobicContact CG2-CZ2 4.48Å; V1339-W1353 PolarHBondContact N-O 2.91Å; V1339-W1353 PolarHBondContact O-N 3.47Å; V1339-V1355 HydrophobicContact CG2-CG2 3.69Å |
| 1340 | S | 90.1 | Very high | 86.4 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 113.6 | -177.4 | -42.7 | 0 | 0 | 0 | 0 | 110.2 | Q1303 G1351 | Q1303-S1340 PolarHBondContact N-O 2.82Å; Q1303-S1340 PolarHBondContact O-N 2.81Å; S1340-G1351 CarbonylContact C-O 3.51Å; S1340-G1351 WeakPolarHBondContact CA-O 3.36Å |
| 1341 | I | 91.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129.9 | -177.7 | -59.9 | 170.9 | 0 | 0 | 0 | 110.3 | I1272 V1288 V1290 V1300 T1301 C1302 I1327 V1339 L1347 L1348 G1351 W1353 | I1272-I1341 HydrophobicContact CD1-CB 4.39Å; I1272-I1341 HydrophobicContact CD1-CD1 3.93Å; V1288-I1341 HydrophobicContact CB-CD1 4.18Å; V1288-I1341 HydrophobicContact CG1-CD1 3.52Å; V1290-I1341 HydrophobicContact CG2-CG2 4.26Å; V1300-I1341 HydrophobicContact CG1-CG2 4.12Å; T1301-I1341 WeakPolarHBondContact O-CA 3.42Å; C1302-I1341 HydrophobicContact CB-CG1 4.3Å; I1327-I1341 HydrophobicContact CD1-CD1 3.64Å; I1327-I1341 HydrophobicContact CD1-CG1 4.02Å; I1327-I1341 HydrophobicContact CD1-CG2 3.8Å; V1339-I1341 HydrophobicContact CG1-CD1 4.46Å; V1339-I1341 HydrophobicContact CG1-CG1 4.32Å; I1341-L1347 WeakPolarHBondContact O-CD1 3.49Å; I1341-L1348 HydrophobicContact CB-CD1 4.32Å; I1341-L1348 HydrophobicContact CG2-CD1 3.6Å; I1341-L1348 HydrophobicContact CG2-CG 4.36Å; I1341-L1348 PolarHBondContact O-N 2.88Å; I1341-L1348 VanDerWaalsContact O-N 3.15Å; I1341-G1351 PolarHBondContact N-O 2.99Å; I1341-W1353 HydrophobicContact CD1-CH2 3.62Å; I1341-W1353 HydrophobicContact CD1-CZ3 3.86Å; I1341-W1353 HydrophobicContact CG1-CH2 4.44Å; I1341-W1353 HydrophobicContact CG1-CZ3 4.36Å |
| 1342 | R | 90.8 | Very high | 86.6 | Confident | 16 Ų | 16 | 48.5 Ų | 48.5 | 6% | 0.06 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 159.3 | -176.9 | -50.5 | -175.2 | -165.1 | -118 | 1.8 | 110.2 | E1213 V1300 T1301 E1346 L1347 | E1213-R1342 IonicContact OE1-CZ 2.78Å; E1213-R1342 IonicContact OE1-NH1 3.27Å; E1213-R1342 PolarHBondContact OE1-NH1 2.83Å; E1213-R1342 IonicContact OE1-NH2 3.48Å; E1213-R1342 PolarHBondContact OE1-NH2 3.05Å; E1213-R1342 IonicContact OE2-CZ 2.76Å; E1213-R1342 IonicContact OE2-NH2 3.7Å; E1213-R1342 PolarHBondContact OE2-NH2 2.93Å; V1300-R1342 WeakPolarHBondContact CA-O 3.39Å; T1301-R1342 PolarHBondContact N-O 3.5Å; T1301-R1342 PolarHBondContact O-N 3.43Å; R1342-E1346 CarbonylContact C-O 3.55Å; R1342-E1346 VanDerWaalsContact CA-O 3.26Å; R1342-E1346 WeakPolarHBondContact CA-O 3.44Å; R1342-E1346 WeakPolarHBondContact CB-O 3.39Å; R1342-L1347 HydrophobicContact CG-CD1 4.07Å |
| 1343 | Y | 87.8 | Confident | 87.1 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 120.6 | 171.1 | 172.7 | -86.5 | 0 | 0 | 0 | 108.3 | A1267 C1270 T1292 G1296 G1298 K1299 V1300 G1345 E1346 | A1267-Y1343 HydrophobicContact CB-CD1 4.21Å; C1270-Y1343 HydrophobicContact CB-CD2 4.35Å; C1270-Y1343 HydrophobicContact CB-CG 4.28Å; T1292-Y1343 HydrophobicContact CG2-CD2 4.24Å; T1292-Y1343 HydrophobicContact CG2-CE2 4.27Å; G1296-Y1343 WeakPolarHBondContact CA-OH 3.4Å; G1296-Y1343 PolarHBondContact N-OH 2.92Å; G1296-Y1343 PolarHBondContact O-OH 2.77Å; G1298-Y1343 PolarHBondContact N-OH 2.88Å; G1298-Y1343 WeakPolarHBondContact O-CD2 3.11Å; G1298-Y1343 WeakPolarHBondContact O-CE2 3.46Å; K1299-Y1343 WeakPolarHBondContact O-CA 3.38Å; V1300-Y1343 HydrophobicContact CG2-CD2 3.88Å; Y1343-G1345 PolarHBondContact O-N 3Å; Y1343-E1346 PolarHBondContact N-O 3.17Å; Y1343-E1346 PolarHBondContact O-N 3.15Å |
| 1344 | G | 85.5 | Confident | 87.4 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 33.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1187 P1263 V1264 K1299 E1346 | A1187-G1344 WeakPolarHBondContact CB-O 3.37Å; P1263-G1344 CarbonylContact C-O 3.58Å; P1263-G1344 WeakPolarHBondContact CA-O 3.23Å; P1263-G1344 WeakPolarHBondContact CB-O 3.47Å; V1264-G1344 PolarHBondContact N-O 3.06Å; V1264-G1344 WeakPolarHBondContact O-CA 3.49Å; K1299-G1344 PolarHBondContact O-N 2.81Å; G1344-E1346 VanDerWaalsContact C-N 3.34Å; G1344-E1346 PolarHBondContact O-N 3.04Å |
| 1345 | G | 84.4 | Confident | 87.7 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -11.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | E1236 A1238 Y1343 | E1236-G1345 VanDerWaalsContact O-CA 3.28Å; E1236-G1345 WeakPolarHBondContact O-CA 3.29Å; A1238-G1345 PolarHBondContact N-O 3.44Å; A1238-G1345 VanDerWaalsContact N-O 3.07Å; Y1343-G1345 PolarHBondContact O-N 3Å |
| 1346 | E | 86.8 | Confident | 87.9 | Confident | 59 Ų | 59 | 42.9 Ų | 42.9 | 28% | 0.276 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 139.5 | 170 | -171.1 | -177 | -161.2 | 0 | 0 | 109.9 | P1263 A1267 R1268 R1342 Y1343 G1344 | P1263-E1346 HydrophobicContact CB-CB 4.15Å; A1267-E1346 HydrophobicContact CB-CB 3.73Å; A1267-E1346 HydrophobicContact CB-CG 4.07Å; R1268-E1346 IonicContact CZ-OE1 3.45Å; R1268-E1346 IonicContact NE-OE1 2.68Å; R1268-E1346 PolarHBondContact NE-OE1 2.84Å; R1268-E1346 IonicContact NH2-OE1 2.74Å; R1268-E1346 PolarHBondContact NH2-OE1 2.96Å; R1342-E1346 CarbonylContact C-O 3.55Å; R1342-E1346 VanDerWaalsContact CA-O 3.26Å; R1342-E1346 WeakPolarHBondContact CA-O 3.44Å; R1342-E1346 WeakPolarHBondContact CB-O 3.39Å; Y1343-E1346 PolarHBondContact N-O 3.17Å; Y1343-E1346 PolarHBondContact O-N 3.15Å; G1344-E1346 VanDerWaalsContact C-N 3.34Å; G1344-E1346 PolarHBondContact O-N 3.04Å |
| 1347 | L | 87.3 | Confident | 87.6 | Confident | 64 Ų | 64 | 37.9 Ų | 37.9 | 34% | 0.335 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 134.9 | -179.4 | -171.8 | 75.6 | 0 | 0 | 0 | 110.9 | I1341 R1342 Q1352 | I1341-L1347 WeakPolarHBondContact O-CD1 3.49Å; R1342-L1347 HydrophobicContact CG-CD1 4.07Å; L1347-Q1352 HydrophobicContact CD1-CB 4.27Å; L1347-Q1352 HydrophobicContact CD2-CB 4.08Å |
| 1348 | L | 86.5 | Confident | 86.9 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 155.2 | 176 | -63.5 | -177.9 | 0 | 0 | 0 | 111.8 | A1267 C1270 I1272 V1290 I1341 K1350 G1351 | A1267-L1348 HydrophobicContact CB-CD2 4.19Å; A1267-L1348 WeakPolarHBondContact O-CD2 3.25Å; C1270-L1348 HydrophobicContact CB-CD2 3.61Å; I1272-L1348 HydrophobicContact CD1-CD1 4.39Å; I1272-L1348 HydrophobicContact CG1-CD1 3.9Å; V1290-L1348 HydrophobicContact CG1-CD1 3.64Å; I1341-L1348 HydrophobicContact CB-CD1 4.32Å; I1341-L1348 HydrophobicContact CG2-CD1 3.6Å; I1341-L1348 HydrophobicContact CG2-CG 4.36Å; I1341-L1348 PolarHBondContact O-N 2.88Å; I1341-L1348 VanDerWaalsContact O-N 3.15Å; L1348-K1350 PolarHBondContact O-N 3.35Å; L1348-G1351 WeakPolarHBondContact O-CA 3.48Å; L1348-G1351 PolarHBondContact O-N 3.14Å |
| 1349 | E | 78.4 | Confident | 85.7 | Confident | 120 Ų | 120 | 40.2 Ų | 40.2 | 56% | 0.561 | 20% | 0.198 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 123.6 | 168.8 | -160.1 | -159.7 | 123.6 | 0 | 0 | 109.2 | G1351 | E1349-G1351 PolarHBondContact O-N 2.89Å |
| 1350 | K | 80.9 | Confident | 83.8 | Confident | 136 Ų | 136 | 42.7 Ų | 42.7 | 59% | 0.591 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 60.9 | 16.7 | -170.9 | -54.3 | 161.7 | -169.3 | 153.5 | 0 | 113.8 | R1276 L1348 Q1352 | R1276-K1350 PolarHBondContact NE-O 3.31Å; R1276-K1350 PolarHBondContact NH2-O 2.75Å; L1348-K1350 PolarHBondContact O-N 3.35Å; K1350-Q1352 PolarHBondContact O-N 3.19Å |
| 1351 | G | 85.5 | Confident | 81.6 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | -17.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S1340 I1341 L1348 E1349 W1353 | S1340-G1351 CarbonylContact C-O 3.51Å; S1340-G1351 WeakPolarHBondContact CA-O 3.36Å; I1341-G1351 PolarHBondContact N-O 2.99Å; L1348-G1351 WeakPolarHBondContact O-CA 3.48Å; L1348-G1351 PolarHBondContact O-N 3.14Å; E1349-G1351 PolarHBondContact O-N 2.89Å; G1351-W1353 WeakPolarHBondContact O-CZ3 3.42Å |
| 1352 | Q | 90.4 | Very high | 78.9 | Confident | 82 Ų | 82 | 62.9 Ų | 62.9 | 38% | 0.383 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 136 | 175.9 | -171.9 | -179.4 | -44.9 | 0 | 0 | 111.3 | R1338 V1339 L1347 K1350 | R1338-Q1352 HydrophobicContact CG-CG 3.97Å; V1339-Q1352 CarbonylContact O-C 3.59Å; V1339-Q1352 VanDerWaalsContact O-CA 3.25Å; V1339-Q1352 WeakPolarHBondContact O-CA 3.1Å; L1347-Q1352 HydrophobicContact CD1-CB 4.27Å; L1347-Q1352 HydrophobicContact CD2-CB 4.08Å; K1350-Q1352 PolarHBondContact O-N 3.19Å |
| 1353 | W | 90.5 | Very high | 76 | Confident | 26 Ų | 26 | 73.8 Ų | 73.8 | 10% | 0.098 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 172.5 | 170 | 67.6 | 104.7 | 0 | 0 | 0 | 112.2 | I1272 R1276 F1277 V1288 R1338 V1339 I1341 G1351 V1355 | I1272-W1353 HydrophobicContact CD1-CH2 4.28Å; I1272-W1353 HydrophobicContact CD1-CZ3 3.71Å; R1276-W1353 HydrophobicContact CB-CZ2 4.3Å; R1276-W1353 HydrophobicContact CG-CD2 4.36Å; R1276-W1353 HydrophobicContact CG-CE3 4.3Å; R1276-W1353 HydrophobicContact CG-CH2 3.89Å; R1276-W1353 HydrophobicContact CG-CZ2 3.92Å; R1276-W1353 HydrophobicContact CG-CZ3 4.08Å; F1277-W1353 PolarHBondContact O-NE1 2.85Å; F1277-W1353 VanDerWaalsContact O-NE1 3.15Å; V1288-W1353 HydrophobicContact CG1-CH2 4.21Å; V1288-W1353 HydrophobicContact CG2-CH2 3.95Å; V1288-W1353 HydrophobicContact CG2-CZ2 3.96Å; R1338-W1353 WeakPolarHBondContact CA-O 3.46Å; V1339-W1353 HydrophobicContact CB-CD2 4.2Å; V1339-W1353 HydrophobicContact CB-CE3 4.4Å; V1339-W1353 HydrophobicContact CB-CH2 4.21Å; V1339-W1353 HydrophobicContact CB-CZ2 4.01Å; V1339-W1353 HydrophobicContact CB-CZ3 4.4Å; V1339-W1353 HydrophobicContact CG1-CD2 4.48Å; V1339-W1353 HydrophobicContact CG1-CE3 4.34Å; V1339-W1353 HydrophobicContact CG1-CH2 3.48Å; V1339-W1353 VanDerWaalsContact CG1-CH2 3.48Å; V1339-W1353 HydrophobicContact CG1-CZ2 3.65Å; V1339-W1353 HydrophobicContact CG1-CZ3 3.85Å; V1339-W1353 HydrophobicContact CG2-CZ2 4.48Å; V1339-W1353 PolarHBondContact N-O 2.91Å; V1339-W1353 PolarHBondContact O-N 3.47Å; I1341-W1353 HydrophobicContact CD1-CH2 3.62Å; I1341-W1353 HydrophobicContact CD1-CZ3 3.86Å; I1341-W1353 HydrophobicContact CG1-CH2 4.44Å; I1341-W1353 HydrophobicContact CG1-CZ3 4.36Å; G1351-W1353 WeakPolarHBondContact O-CZ3 3.42Å; W1353-V1355 VanDerWaalsContact NE1-CG2 3.35Å |
| 1354 | L | 89.7 | Confident | 73.4 | Confident | 82 Ų | 82 | 78.9 Ų | 78.9 | 43% | 0.429 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 139.3 | 173.6 | -135.1 | 73 | 0 | 0 | 0 | 109.7 | V1307 Y1336 Y1337 R1338 | V1307-L1354 HydrophobicContact CG2-CD1 3.73Å; V1307-L1354 HydrophobicContact CG2-CG 4.32Å; Y1336-L1354 HydrophobicContact CD1-CD2 3.7Å; Y1336-L1354 HydrophobicContact CD1-CG 4.3Å; Y1336-L1354 HydrophobicContact CE1-CD2 4.4Å; Y1336-L1354 HydrophobicContact CG-CD2 4.28Å; Y1337-L1354 CarbonylContact O-C 3.45Å; Y1337-L1354 WeakPolarHBondContact O-CA 3.34Å; R1338-L1354 HydrophobicContact CB-CD1 4.23Å |
| 1355 | V | 89.1 | Confident | 70.7 | Confident | 1 Ų | 1 | 83.9 Ų | 83.9 | 1% | 0.006 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.7 | 172.2 | -166.5 | 0 | 0 | 0 | 0 | 108.9 | F1277 E1278 A1280 F1331 Y1336 Y1337 V1339 W1353 | F1277-V1355 WeakPolarHBondContact O-CG2 3.49Å; E1278-V1355 WeakPolarHBondContact O-CA 3.39Å; A1280-V1355 HydrophobicContact CB-CG1 3.82Å; F1331-V1355 HydrophobicContact CE1-CB 4.48Å; F1331-V1355 HydrophobicContact CE2-CB 4.11Å; F1331-V1355 HydrophobicContact CE2-CG1 3.64Å; F1331-V1355 HydrophobicContact CE2-CG2 4.48Å; F1331-V1355 HydrophobicContact CZ-CB 3.69Å; F1331-V1355 HydrophobicContact CZ-CG1 3.78Å; F1331-V1355 HydrophobicContact CZ-CG2 3.91Å; Y1336-V1355 WeakPolarHBondContact CA-O 3.42Å; Y1337-V1355 PolarHBondContact N-O 3.01Å; Y1337-V1355 PolarHBondContact O-N 2.66Å; V1339-V1355 HydrophobicContact CG2-CG2 3.69Å; W1353-V1355 VanDerWaalsContact NE1-CG2 3.35Å |
| 1356 | K | 89.3 | Confident | 68.2 | Low | 63 Ų | 63 | 91 Ų | 91 | 27% | 0.274 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 107.4 | 170.1 | -166.1 | -171 | -172.2 | -164.3 | 0 | 109.4 | E1278 N1279 A1280 Y1336 E1358 | E1278-K1356 PolarHBondContact O-N 3.37Å; N1279-K1356 CarbonylContact C-O 3.48Å; N1279-K1356 VanDerWaalsContact CA-O 3.25Å; N1279-K1356 WeakPolarHBondContact CA-O 3.28Å; A1280-K1356 PolarHBondContact N-O 3.07Å; Y1336-K1356 HydrophobicContact CD1-CB 4.02Å; Y1336-K1356 HydrophobicContact CD1-CG 4.17Å; Y1336-K1356 HydrophobicContact CE1-CB 3.69Å; Y1336-K1356 HydrophobicContact CE1-CD 4.06Å; Y1336-K1356 HydrophobicContact CE1-CG 3.7Å; Y1336-K1356 HydrophobicContact CE2-CG 4.39Å; K1356-E1358 HydrophobicContact CD-CG 4Å; K1356-E1358 WeakPolarHBondContact CD-OE1 3.36Å; K1356-E1358 WeakPolarHBondContact CE-OE1 3.43Å; K1356-E1358 HydrophobicContact CG-CG 4.1Å; K1356-E1358 IonicContact NZ-OE1 2.7Å; K1356-E1358 PolarHBondContact NZ-OE1 2.91Å |
| 1357 | A | 83.7 | Confident | 65.5 | Low | 3 Ų | 3 | 95.9 Ų | 95.9 | 3% | 0.025 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 119.7 | 171 | 0 | 0 | 0 | 0 | 0 | 109 | A1280 V1282 F1331 H1333 P1334 G1335 Y1337 | A1280-A1357 CarbonylContact O-C 3.58Å; A1280-A1357 WeakPolarHBondContact O-CA 3.17Å; V1282-A1357 HydrophobicContact CG2-CB 3.86Å; F1331-A1357 HydrophobicContact CB-CB 3.78Å; F1331-A1357 HydrophobicContact CD2-CB 4.37Å; F1331-A1357 HydrophobicContact CG-CB 3.99Å; H1333-A1357 WeakPolarHBondContact O-CB 3.45Å; P1334-A1357 VanDerWaalsContact CA-O 3.28Å; P1334-A1357 WeakPolarHBondContact CA-O 3.36Å; G1335-A1357 PolarHBondContact N-O 2.94Å; G1335-A1357 PolarHBondContact O-N 3.42Å; Y1337-A1357 HydrophobicContact CD2-CB 4.11Å; Y1337-A1357 HydrophobicContact CE2-CB 3.93Å |
| 1358 | E | 75.4 | Confident | 62.5 | Low | 83 Ų | 83 | 101.8 Ų | 101.8 | 39% | 0.388 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 149.6 | 180 | -65.1 | -157.7 | 145.6 | 0 | 0 | 112.3 | A1280 V1282 K1356 G1360 | A1280-E1358 PolarHBondContact O-N 3.19Å; V1282-E1358 PolarHBondContact N-O 2.73Å; V1282-E1358 VanDerWaalsContact N-O 3.11Å; K1356-E1358 HydrophobicContact CD-CG 4Å; K1356-E1358 WeakPolarHBondContact CD-OE1 3.36Å; K1356-E1358 WeakPolarHBondContact CE-OE1 3.43Å; K1356-E1358 HydrophobicContact CG-CG 4.1Å; K1356-E1358 IonicContact NZ-OE1 2.7Å; K1356-E1358 PolarHBondContact NZ-OE1 2.91Å; E1358-G1360 PolarHBondContact O-N 2.92Å |
| 1359 | P | 63.9 | Low | 59.7 | Low | 90 Ų | 90 | 107.3 Ų | 107.3 | 58% | 0.584 | 54% | 0.543 | S | S | * | . | trans | -67.5 | 122 | 166.6 | -12.6 | 28.2 | 0 | 0 | 0 | 109.9 | P1334 K1361 | P1334-P1359 HydrophobicContact CB-CG 4.3Å; P1334-P1359 HydrophobicContact CG-CG 3.98Å; P1359-K1361 PolarHBondContact O-N 2.91Å | ||
| 1360 | G | 52.9 | Low | 57.2 | Low | 52 Ų | 52 | 108.6 Ų | 108.6 | 54% | 0.536 | 56% | 0.559 | S | S | . | * | trans | -59.4 | 127.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E1358 | E1358-G1360 PolarHBondContact O-N 2.92Š| ||
| 1361 | K | 42.7 | Very low | 54.7 | Low | 193 Ų | 193 | 107 Ų | 107 | 84% | 0.839 | 57% | 0.565 | S | S | * | * | trans | -110.2 | 134.1 | 168.9 | -72.2 | 179.7 | 178.4 | 174.2 | 0 | 109.7 | P1359 R1363 | P1359-K1361 PolarHBondContact O-N 2.91Å; K1361-R1363 PolarHBondContact O-N 2.95Å | ||
| 1362 | R | 35 | Very low | 51.7 | Low | 233 Ų | 233 | 111.6 Ų | 111.6 | 88% | 0.879 | 60% | 0.603 | S | S | * | * | trans | -54.2 | 106.2 | 171.8 | -72 | -177.8 | 174.2 | -167 | -4.8 | 109.4 | ||||
| 1363 | R | 30.9 | Very low | 48.7 | Very low | 246 Ų | 246 | 113.5 Ų | 113.5 | 93% | 0.928 | 62% | 0.62 | S | S | * | * | trans | -72.4 | 138.2 | 164.4 | -76.2 | -169.6 | 176.6 | -164.7 | 1 | 108.6 | K1361 | K1361-R1363 PolarHBondContact O-N 2.95Š| ||
| 1364 | S | 31.8 | Very low | 45.5 | Very low | 113 Ų | 113 | 118.1 Ų | 118.1 | 79% | 0.79 | 65% | 0.654 | S | S | * | * | trans | -70.1 | 153.2 | 176.4 | 46.4 | 0 | 0 | 0 | 0 | 111.5 | D1366 | S1364-D1366 PolarHBondContact O-N 3.22Š| ||
| 1365 | S | 29.1 | Very low | 42.3 | Very low | 107 Ų | 107 | 122.6 Ų | 122.6 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -60.3 | 115.9 | 169.5 | 50.5 | 0 | 0 | 0 | 0 | 111.1 | ||
| 1366 | D | 32.6 | Very low | 39.2 | Very low | 155 Ų | 155 | 129.6 Ų | 129.6 | 83% | 0.829 | 72% | 0.719 | S | S | * | * | trans | 175.5 | 66.5 | 131.7 | -86.9 | -11.6 | 0 | 0 | 0 | 110 | S1364 | S1364-D1366 PolarHBondContact O-N 3.22Š| ||
| 1367 | D | 29.1 | Very low | 36 | Very low | 161 Ų | 161 | 129.9 Ų | 129.9 | 86% | 0.861 | 74% | 0.74 | S | S | * | * | trans | -154.8 | 134.5 | 159.4 | -122.9 | -28.1 | 0 | 0 | 0 | 108.3 | P1369 | D1367-P1369 WeakPolarHBondContact O-CD 3.4Š| ||
| 1368 | Q | 26 | Very low | 33 | Very low | 187 Ų | 187 | 136.4 Ų | 136.4 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -90.6 | 115 | -172.4 | -70.3 | -173.6 | -6.7 | 0 | 0 | 111.6 | V1370 | Q1368-V1370 PolarHBondContact O-N 3.4Š| ||
| 1369 | P | 27 | Very low | 30.4 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -71.8 | 125.7 | 172.8 | 29.4 | -33.2 | 0 | 0 | 0 | 110.4 | D1367 S1371 | D1367-P1369 WeakPolarHBondContact O-CD 3.4Å; P1369-S1371 PolarHBondContact O-N 2.92Å | ||
| 1370 | V | 25 | Very low | 28.4 | Very low | 146 Ų | 146 | 143.2 Ų | 143.2 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | trans | -70.5 | 97.3 | 176.8 | 179.6 | 0 | 0 | 0 | 0 | 109.5 | Q1368 | Q1368-V1370 PolarHBondContact O-N 3.4Š| ||
| 1371 | S | 28 | Very low | 26.9 | Very low | 103 Ų | 103 | 144.4 Ų | 144.4 | 72% | 0.72 | 82% | 0.821 | S | S | * | * | trans | -80.7 | 131.9 | 175.5 | -176.2 | 0 | 0 | 0 | 0 | 111.5 | P1369 | P1369-S1371 PolarHBondContact O-N 2.92Š| ||
| 1372 | A | 23.5 | Very low | 26 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 79% | 0.793 | 83% | 0.826 | S | S | * | * | trans | -115.7 | 87.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1373 | T | 27.4 | Very low | 25.5 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | -143.7 | 147.6 | 163.6 | 26.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1374 | P | 23.2 | Very low | 25.5 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | trans | -84.4 | 159.1 | -163.7 | -13.2 | 31.8 | 0 | 0 | 0 | 115.9 | ||||
| 1375 | L | 22 | Very low | 25.6 | Very low | 176 Ų | 176 | 129.8 Ų | 129.8 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -76.7 | 124.5 | 178.4 | -67.5 | 160.3 | 0 | 0 | 0 | 113 | ||||
| 1376 | V | 24.1 | Very low | 26.3 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | trans | -146.1 | 140.2 | 164 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1377 | G | 22.2 | Very low | 27.4 | Very low | 69 Ų | 69 | 128.3 Ų | 128.3 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | 82.7 | 70 | 143.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1378 | N | 20.8 | Very low | 28.7 | Very low | 140 Ų | 140 | 122.6 Ų | 122.6 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | trans | -65.2 | 132.4 | 161.2 | 177.5 | 26.2 | 0 | 0 | 0 | 111.1 | ||||
| 1379 | N | 21.1 | Very low | 30.8 | Very low | 161 Ų | 161 | 118 Ų | 118 | 86% | 0.861 | 71% | 0.713 | S | S | * | * | trans | -153.8 | 126.6 | 163.3 | -118.5 | -20.9 | 0 | 0 | 0 | 111.9 | ||||
| 1380 | N | 21.7 | Very low | 32.6 | Very low | 156 Ų | 156 | 113.7 Ų | 113.7 | 83% | 0.834 | 68% | 0.682 | S | S | * | * | trans | -87.6 | 138.9 | -178.3 | -78.5 | -43.4 | 0 | 0 | 0 | 111.9 | ||||
| 1381 | G | 21.7 | Very low | 34.4 | Very low | 77 Ų | 77 | 109.2 Ų | 109.2 | 79% | 0.794 | 66% | 0.655 | S | S | * | * | trans | -162.4 | 84.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1382 | T | 23.4 | Very low | 36 | Very low | 154 Ų | 154 | 105.5 Ų | 105.5 | 95% | 0.945 | 63% | 0.625 | S | S | * | * | trans | -80.5 | 116.2 | 176.6 | 47.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1383 | A | 24.3 | Very low | 37.6 | Very low | 71 Ų | 71 | 105 Ų | 105 | 59% | 0.587 | 61% | 0.612 | S | S | * | * | trans | -139 | 145.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110 | L1385 | A1383-L1385 PolarHBondContact O-N 2.96Å; A1383-L1385 VanDerWaalsContact O-N 3.17Å | ||
| 1384 | D | 30.4 | Very low | 38.9 | Very low | 163 Ų | 163 | 101.2 Ų | 101.2 | 87% | 0.872 | 59% | 0.585 | S | S | * | * | trans | -60.2 | 114.9 | -170.1 | -71.9 | -50.8 | 0 | 0 | 0 | 113.3 | R1386 | D1384-R1386 PolarHBondContact O-N 3.16Š| ||
| 1385 | L | 35.1 | Very low | 40.5 | Very low | 90 Ų | 90 | 99.8 Ų | 99.8 | 47% | 0.471 | 58% | 0.575 | S | S | . | * | trans | -83.1 | 100.5 | -179.1 | -63.8 | 178.7 | 0 | 0 | 0 | 111 | A1383 F1387 K1460 | A1383-L1385 PolarHBondContact O-N 2.96Å; A1383-L1385 VanDerWaalsContact O-N 3.17Å; L1385-F1387 HydrophobicContact CB-CE1 4.31Å; L1385-F1387 HydrophobicContact CB-CE2 4.21Å; L1385-F1387 HydrophobicContact CB-CZ 3.76Å; L1385-F1387 HydrophobicContact CD1-CZ 4.19Å; L1385-K1460 HydrophobicContact CD2-CB 4.2Å; L1385-K1460 HydrophobicContact CD2-CD 4.07Å; L1385-K1460 HydrophobicContact CD2-CG 3.99Å | ||
| 1386 | R | 42.8 | Very low | 42.1 | Very low | 209 Ų | 209 | 92.1 Ų | 92.1 | 79% | 0.789 | 54% | 0.535 | S | S | * | . | trans | -90.2 | 144.7 | 160.8 | -63.3 | -168.7 | -173.6 | -166.2 | 3.7 | 110.5 | D1384 | D1384-R1386 PolarHBondContact O-N 3.16Š| ||
| 1387 | F | 56.4 | Low | 43.5 | Very low | 21 Ų | 21 | 90.3 Ų | 90.3 | 9% | 0.092 | 53% | 0.527 | C | S | . | . | trans | -121.2 | 151.2 | 174.7 | -55.9 | -61.3 | 0 | 0 | 0 | 110.5 | L1385 Q1431 P1432 S1433 P1435 V1458 K1460 | L1385-F1387 HydrophobicContact CB-CE1 4.31Å; L1385-F1387 HydrophobicContact CB-CE2 4.21Å; L1385-F1387 HydrophobicContact CB-CZ 3.76Å; L1385-F1387 HydrophobicContact CD1-CZ 4.19Å; F1387-Q1431 PolarHBondContact O-NE2 2.85Å; F1387-P1432 HydrophobicContact CB-CB 4.03Å; F1387-P1432 HydrophobicContact CB-CG 4.49Å; F1387-S1433 WeakPolarHBondContact CE2-O 3.36Å; F1387-P1435 HydrophobicContact CE1-CB 3.77Å; F1387-P1435 HydrophobicContact CE1-CG 4.37Å; F1387-P1435 HydrophobicContact CZ-CB 3.96Å; F1387-P1435 HydrophobicContact CZ-CG 4.06Å; F1387-V1458 HydrophobicContact CB-CG1 3.76Å; F1387-V1458 HydrophobicContact CD1-CG1 3.56Å; F1387-V1458 HydrophobicContact CE1-CG1 4.35Å; F1387-V1458 HydrophobicContact CG-CG1 3.74Å; F1387-K1460 HydrophobicContact CE1-CG 4.44Å | ||
| 1388 | S | 56.7 | Low | 44.8 | Very low | 42 Ų | 42 | 88.4 Ų | 88.4 | 29% | 0.294 | 51% | 0.507 | S | S | . | . | trans | -79.7 | 131.3 | 179.8 | 41.9 | 0 | 0 | 0 | 0 | 112.3 | K1390 P1432 | S1388-K1390 PolarHBondContact OG-NZ 2.61Å; S1388-P1432 VanDerWaalsContact O-CD 3.22Å; S1388-P1432 WeakPolarHBondContact O-CD 3.17Å | ||
| 1389 | E | 69.6 | Low | 46.4 | Very low | 91 Ų | 91 | 84.7 Ų | 84.7 | 43% | 0.425 | 49% | 0.489 | S | S | . | . | trans | -53.5 | 139.3 | 167.9 | -163.9 | -161.4 | 57 | 0 | 0 | 110 | T1391 K1429 Y1430 | E1389-T1391 PolarHBondContact OE1-OG1 3.05Å; E1389-K1429 IonicContact OE1-NZ 3.78Å; E1389-K1429 PolarHBondContact OE1-NZ 3.38Å; E1389-K1429 IonicContact OE2-NZ 2.71Å; E1389-K1429 PolarHBondContact OE2-NZ 2.82Å; E1389-K1429 VanDerWaalsContact OE2-NZ 3.08Å; E1389-Y1430 CarbonylContact C-O 3.59Å; E1389-Y1430 WeakPolarHBondContact CA-O 3.01Å; E1389-Y1430 WeakPolarHBondContact CG-O 3.16Å | ||
| 1390 | K | 64.4 | Low | 48.1 | Very low | 29 Ų | 29 | 83.7 Ų | 83.7 | 13% | 0.126 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 139 | 174.1 | -52.7 | -52.9 | -176.4 | -166.6 | 0 | 109 | S1388 W1392 K1429 Y1430 P1432 F1456 | S1388-K1390 PolarHBondContact OG-NZ 2.61Å; K1390-W1392 HydrophobicContact CB-CE3 4.33Å; K1390-W1392 HydrophobicContact CB-CH2 3.31Å; K1390-W1392 HydrophobicContact CB-CZ2 3.94Å; K1390-W1392 HydrophobicContact CB-CZ3 3.54Å; K1390-W1392 HydrophobicContact CG-CH2 4.09Å; K1390-K1429 WeakPolarHBondContact O-CA 3.41Å; K1390-Y1430 PolarHBondContact N-O 3.07Å; K1390-Y1430 PolarHBondContact O-N 3.39Å; K1390-P1432 HydrophobicContact CG-CG 4.21Å; K1390-F1456 HydrophobicContact CG-CD2 4.01Å; K1390-F1456 HydrophobicContact CG-CE2 3.98Å |
| 1391 | T | 62.8 | Low | 50.1 | Low | 53 Ų | 53 | 79.2 Ų | 79.2 | 33% | 0.325 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 132.5 | 178.8 | -61.3 | 0 | 0 | 0 | 0 | 109.1 | E1389 T1427 I1428 K1429 | E1389-T1391 PolarHBondContact OE1-OG1 3.05Å; T1391-T1427 HydrophobicContact CG2-CG2 3.46Å; T1391-T1427 VanDerWaalsContact CG2-CG2 3.46Å; T1391-I1428 CarbonylContact C-O 3.58Å; T1391-I1428 WeakPolarHBondContact CA-O 3.24Å; T1391-K1429 HydrophobicContact CG2-CG 4.09Å |
| 1392 | W | 61.4 | Low | 52.3 | Low | 25 Ų | 25 | 76.4 Ų | 76.4 | 10% | 0.095 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 137.7 | 173.2 | -59.2 | -98.8 | 0 | 0 | 0 | 108.7 | K1390 T1427 I1428 L1440 F1456 | K1390-W1392 HydrophobicContact CB-CE3 4.33Å; K1390-W1392 HydrophobicContact CB-CH2 3.31Å; K1390-W1392 HydrophobicContact CB-CZ2 3.94Å; K1390-W1392 HydrophobicContact CB-CZ3 3.54Å; K1390-W1392 HydrophobicContact CG-CH2 4.09Å; W1392-T1427 CarbonylContact O-C 3.47Å; W1392-T1427 WeakPolarHBondContact O-CA 3.23Å; W1392-I1428 HydrophobicContact CE3-CG2 4.17Å; W1392-I1428 PolarHBondContact N-O 2.92Å; W1392-I1428 PolarHBondContact O-N 3Å; W1392-L1440 HydrophobicContact CD2-CD2 3.44Å; W1392-L1440 VanDerWaalsContact CD2-CD2 3.44Å; W1392-L1440 HydrophobicContact CE3-CD2 3.53Å; W1392-L1440 HydrophobicContact CG-CD2 4.07Å; W1392-L1440 HydrophobicContact CH2-CD2 3.75Å; W1392-L1440 HydrophobicContact CZ2-CD2 3.68Å; W1392-L1440 HydrophobicContact CZ3-CD2 3.69Å; W1392-F1456 AromaticContact CH2-CD1 3.96Å; W1392-F1456 HydrophobicContact CH2-CD1 3.96Å; W1392-F1456 HydrophobicContact CH2-CD2 4.38Å; W1392-F1456 AromaticContact CH2-CE1 3.78Å; W1392-F1456 HydrophobicContact CH2-CE1 3.78Å; W1392-F1456 HydrophobicContact CH2-CE2 4.21Å; W1392-F1456 HydrophobicContact CH2-CG 4.26Å; W1392-F1456 AromaticContact CH2-CZ 3.89Å; W1392-F1456 HydrophobicContact CH2-CZ 3.89Å; W1392-F1456 HydrophobicContact CZ2-CB 4.35Å; W1392-F1456 AromaticContact CZ2-CD1 3.67Å; W1392-F1456 HydrophobicContact CZ2-CD1 3.67Å; W1392-F1456 HydrophobicContact CZ2-CD2 4.37Å; W1392-F1456 AromaticContact CZ2-CE1 3.97Å; W1392-F1456 HydrophobicContact CZ2-CE1 3.97Å; W1392-F1456 AromaticContact CZ2-CG 3.88Å; W1392-F1456 HydrophobicContact CZ2-CG 3.88Å; W1392-F1456 HydrophobicContact CZ2-CZ 4.43Å |
| 1393 | T | 58.1 | Low | 55.1 | Low | 85 Ų | 85 | 72.5 Ų | 72.5 | 52% | 0.521 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 131.3 | 175 | -55.4 | 0 | 0 | 0 | 0 | 109.5 | V1426 T1427 | T1393-V1426 WeakPolarHBondContact CA-O 3.38Å; T1393-T1427 PolarHBondContact OG1-OG1 2.94Å |
| 1394 | F | 55.2 | Low | 57.9 | Low | 42 Ų | 42 | 69.7 Ų | 69.7 | 18% | 0.184 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 161.6 | -175.1 | 57.8 | -85.5 | 0 | 0 | 0 | 111.2 | P1396 L1402 S1425 V1426 I1428 I1442 I1449 | F1394-P1396 HydrophobicContact CD2-CB 4.34Å; F1394-P1396 HydrophobicContact CE2-CB 4.11Å; F1394-P1396 HydrophobicContact CE2-CG 4.34Å; F1394-P1396 VanDerWaalsContact O-CD 3.26Å; F1394-P1396 WeakPolarHBondContact O-CD 3.33Å; F1394-L1402 HydrophobicContact CE2-CD2 4.15Å; F1394-L1402 HydrophobicContact CZ-CD2 4.15Å; F1394-S1425 CarbonylContact O-C 3.6Å; F1394-S1425 WeakPolarHBondContact O-CA 3.3Å; F1394-V1426 HydrophobicContact CZ-CB 4.49Å; F1394-V1426 HydrophobicContact CZ-CG1 4.43Å; F1394-V1426 PolarHBondContact N-O 2.64Å; F1394-V1426 VanDerWaalsContact N-O 3.08Å; F1394-V1426 PolarHBondContact O-N 2.91Å; F1394-I1428 HydrophobicContact CE1-CD1 3.67Å; F1394-I1428 HydrophobicContact CE1-CG1 3.89Å; F1394-I1428 HydrophobicContact CZ-CD1 3.65Å; F1394-I1428 HydrophobicContact CZ-CG1 4.15Å; F1394-I1442 HydrophobicContact CE1-CD1 3.89Å; F1394-I1442 HydrophobicContact CE2-CG2 4.32Å; F1394-I1442 HydrophobicContact CZ-CD1 4.04Å; F1394-I1442 HydrophobicContact CZ-CG2 3.93Å; F1394-I1449 HydrophobicContact CD2-CD1 3.95Å; F1394-I1449 HydrophobicContact CE2-CD1 3.75Å; F1394-I1449 HydrophobicContact CZ-CD1 4.22Å |
| 1395 | T | 57.1 | Low | 60.6 | Low | 95 Ų | 95 | 67.9 Ų | 67.9 | 58% | 0.583 | 37% | 0.373 | S | S | * | . | trans | -104.6 | 97.8 | -179.3 | -53.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1396 | P | 54.8 | Low | 63 | Low | 14 Ų | 14 | 63.6 Ų | 63.6 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | trans | -75.8 | 162.9 | -179.8 | 31.5 | -35.7 | 0 | 0 | 0 | 112.2 | F1394 G1398 T1399 L1402 V1426 | F1394-P1396 HydrophobicContact CD2-CB 4.34Å; F1394-P1396 HydrophobicContact CE2-CB 4.11Å; F1394-P1396 HydrophobicContact CE2-CG 4.34Å; F1394-P1396 VanDerWaalsContact O-CD 3.26Å; F1394-P1396 WeakPolarHBondContact O-CD 3.33Å; P1396-G1398 PolarHBondContact O-N 3.17Å; P1396-T1399 HydrophobicContact CG-CG2 4.24Å; P1396-L1402 HydrophobicContact CB-CD1 4.27Å; P1396-L1402 HydrophobicContact CB-CD2 4.49Å; P1396-L1402 HydrophobicContact CG-CD2 4.28Å; P1396-V1426 HydrophobicContact CG-CB 4.37Å; P1396-V1426 HydrophobicContact CG-CG2 3.72Å | ||
| 1397 | P | 52.8 | Low | 64.9 | Low | 110 Ų | 110 | 56 Ų | 56 | 71% | 0.714 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -65.5 | 17.2 | 173.3 | -21.2 | 34.3 | 0 | 0 | 0 | 116 | ||
| 1398 | G | 51.1 | Low | 66 | Low | 29 Ų | 29 | 55.7 Ų | 55.7 | 30% | 0.299 | 32% | 0.324 | S | S | . | . | trans | 141.6 | 137.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | P1396 | P1396-G1398 PolarHBondContact O-N 3.17Š| ||
| 1399 | T | 53.3 | Low | 66.7 | Low | 61 Ų | 61 | 56.4 Ų | 56.4 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -84.8 | -25.6 | 179.6 | 60.9 | 0 | 0 | 0 | 0 | 112.4 | P1396 A1401 L1402 D1420 V1426 | P1396-T1399 HydrophobicContact CG-CG2 4.24Å; T1399-A1401 PolarHBondContact O-N 3.28Å; T1399-L1402 WeakPolarHBondContact O-CB 3.24Å; T1399-L1402 PolarHBondContact O-N 2.67Å; T1399-D1420 WeakPolarHBondContact CG2-OD2 3.35Å; T1399-D1420 PolarHBondContact OG1-OD2 2.83Å; T1399-V1426 HydrophobicContact CG2-CG2 3.52Å |
| 1400 | N | 58 | Low | 66.9 | Low | 141 Ų | 141 | 56.1 Ų | 56.1 | 75% | 0.754 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 129.9 | 172.6 | -92.6 | -30 | 0 | 0 | 0 | 112.5 | L1402 H1444 | N1400-L1402 PolarHBondContact O-N 3.18Å; N1400-H1444 PolarHBondContact O-CD2 3.18Å |
| 1401 | A | 63.8 | Low | 66.9 | Low | 61 Ų | 61 | 57.2 Ų | 57.2 | 50% | 0.504 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 25.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | T1399 H1444 K1445 | T1399-A1401 PolarHBondContact O-N 3.28Å; A1401-H1444 WeakPolarHBondContact O-CA 3.16Å; A1401-K1445 HydrophobicContact CB-CG 4.01Å; A1401-K1445 PolarHBondContact O-N 2.79Å |
| 1402 | L | 67.9 | Low | 67.6 | Low | 18 Ų | 18 | 62.2 Ų | 62.2 | 9% | 0.094 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 136.2 | 159.6 | -168 | 73.2 | 0 | 0 | 0 | 109.4 | F1394 P1396 T1399 N1400 I1418 V1426 I1442 K1443 H1444 I1449 | F1394-L1402 HydrophobicContact CE2-CD2 4.15Å; F1394-L1402 HydrophobicContact CZ-CD2 4.15Å; P1396-L1402 HydrophobicContact CB-CD1 4.27Å; P1396-L1402 HydrophobicContact CB-CD2 4.49Å; P1396-L1402 HydrophobicContact CG-CD2 4.28Å; T1399-L1402 WeakPolarHBondContact O-CB 3.24Å; T1399-L1402 PolarHBondContact O-N 2.67Å; N1400-L1402 PolarHBondContact O-N 3.18Å; L1402-I1418 HydrophobicContact CD2-CG2 4.31Å; L1402-V1426 HydrophobicContact CD2-CB 4.33Å; L1402-V1426 HydrophobicContact CD2-CG1 3.91Å; L1402-V1426 HydrophobicContact CD2-CG2 4.23Å; L1402-I1442 HydrophobicContact CD1-CG2 3.85Å; L1402-I1442 HydrophobicContact CG-CG2 4.44Å; L1402-K1443 CarbonylContact C-O 3.57Å; L1402-K1443 WeakPolarHBondContact CA-O 3.28Å; L1402-H1444 HydrophobicContact CD1-CB 4.08Å; L1402-I1449 HydrophobicContact CD1-CG2 4.42Å |
| 1403 | T | 81.7 | Confident | 68.3 | Low | 72 Ų | 72 | 65.5 Ų | 65.5 | 44% | 0.442 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 147.1 | 179.2 | 55.3 | 0 | 0 | 0 | 0 | 109.7 | I1442 K1443 | T1403-I1442 CarbonylContact O-C 3.57Å; T1403-I1442 WeakPolarHBondContact O-CA 3.48Å; T1403-K1443 PolarHBondContact N-O 2.75Å; T1403-K1443 PolarHBondContact O-N 3.3Å; T1403-K1443 PolarHBondContact OG1-O 2.88Å |
| 1404 | A | 82.9 | Confident | 69.5 | Low | 13 Ų | 13 | 64 Ų | 64 | 11% | 0.107 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 142.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | P1416 I1418 I1428 H1441 I1442 | A1404-P1416 HydrophobicContact CB-CG 3.72Å; A1404-I1418 HydrophobicContact CB-CD1 3.67Å; A1404-I1418 HydrophobicContact CB-CG1 3.78Å; A1404-I1428 HydrophobicContact CB-CD1 3.63Å; A1404-H1441 CarbonylContact C-O 3.6Å; A1404-H1441 VanDerWaalsContact CA-O 3.29Å; A1404-H1441 WeakPolarHBondContact CA-O 3.16Å; A1404-I1442 HydrophobicContact CB-CG1 4.35Å |
| 1405 | K | 87 | Confident | 70.7 | Confident | 125 Ų | 125 | 65.8 Ų | 65.8 | 54% | 0.543 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 142.8 | 177.1 | -64.3 | -173 | 175.8 | -169.7 | 0 | 109.5 | V1413 D1414 H1441 | K1405-V1413 HydrophobicContact CB-CG1 4.01Å; K1405-V1413 HydrophobicContact CD-CG1 3.95Å; K1405-V1413 HydrophobicContact CG-CG1 4.35Å; K1405-D1414 WeakPolarHBondContact CA-O 3.47Å; K1405-H1441 HydrophobicContact CB-CB 4.47Å; K1405-H1441 PolarHBondContact N-O 3.18Å; K1405-H1441 PolarHBondContact O-N 2.8Å |
| 1406 | V | 85.7 | Confident | 72 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 130.2 | 169.7 | 171.8 | 0 | 0 | 0 | 0 | 108.5 | M1408 V1413 D1414 P1416 Y1430 H1438 E1439 L1440 F1456 | V1406-M1408 HydrophobicContact CG1-CG 4.27Å; V1406-V1413 CarbonylContact O-C 3.6Å; V1406-V1413 WeakPolarHBondContact O-CA 3.2Å; V1406-D1414 HydrophobicContact CB-CB 4.47Å; V1406-D1414 PolarHBondContact N-O 3.03Å; V1406-D1414 PolarHBondContact O-N 3.37Å; V1406-P1416 HydrophobicContact CG2-CB 4.2Å; V1406-P1416 HydrophobicContact CG2-CG 4.03Å; V1406-Y1430 HydrophobicContact CB-CD2 4.49Å; V1406-Y1430 HydrophobicContact CB-CE1 4.35Å; V1406-Y1430 HydrophobicContact CB-CE2 4.24Å; V1406-Y1430 HydrophobicContact CG1-CD1 4.34Å; V1406-Y1430 HydrophobicContact CG1-CE1 3.82Å; V1406-Y1430 HydrophobicContact CG1-CE2 4.49Å; V1406-Y1430 HydrophobicContact CG2-CD1 4.05Å; V1406-Y1430 HydrophobicContact CG2-CD2 3.95Å; V1406-Y1430 HydrophobicContact CG2-CE1 4.26Å; V1406-Y1430 HydrophobicContact CG2-CE2 4.2Å; V1406-Y1430 HydrophobicContact CG2-CG 3.9Å; V1406-H1438 HydrophobicContact CG1-CB 4.06Å; V1406-E1439 CarbonylContact C-O 3.53Å; V1406-E1439 WeakPolarHBondContact CA-O 3.27Å; V1406-L1440 HydrophobicContact CG2-CB 4.47Å; V1406-L1440 HydrophobicContact CG2-CD1 3.95Å; V1406-F1456 HydrophobicContact CG1-CE1 4.06Å; V1406-F1456 HydrophobicContact CG1-CZ 3.8Å; V1406-F1456 HydrophobicContact CG2-CE1 4.19Å; V1406-F1456 HydrophobicContact CG2-CZ 4.18Å |
| 1407 | I | 82.4 | Confident | 73.3 | Confident | 48 Ų | 48 | 66.8 Ų | 66.8 | 25% | 0.246 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 119.8 | 163.8 | -49.5 | -174.3 | 0 | 0 | 0 | 106.7 | R1412 V1413 H1438 E1439 H1441 | I1407-R1412 CarbonylContact C-O 3.57Å; I1407-R1412 WeakPolarHBondContact CA-O 3.41Å; I1407-V1413 HydrophobicContact CG1-CG2 4.45Å; I1407-H1438 CarbonylContact O-C 3.47Å; I1407-H1438 WeakPolarHBondContact O-CA 3.42Å; I1407-H1438 WeakPolarHBondContact O-CB 3.44Å; I1407-E1439 HydrophobicContact CB-CB 4.19Å; I1407-E1439 HydrophobicContact CG1-CB 4.48Å; I1407-E1439 PolarHBondContact N-O 3.44Å; I1407-E1439 PolarHBondContact O-N 3.27Å; I1407-H1441 WeakPolarHBondContact CD1-NE2 3Å |
| 1408 | M | 80.2 | Confident | 74.7 | Confident | 15 Ų | 15 | 64.6 Ų | 64.6 | 7% | 0.074 | 38% | 0.381 | C | S | . | . | trans | -83.2 | 164.7 | 177.9 | -58.3 | -166.8 | -67.2 | 0 | 0 | 110.7 | V1406 T1410 G1411 R1412 D1414 Y1430 S1433 E1434 | V1406-M1408 HydrophobicContact CG1-CG 4.27Å; M1408-T1410 PolarHBondContact O-N 2.98Å; M1408-G1411 WeakPolarHBondContact O-CA 3.43Å; M1408-G1411 PolarHBondContact O-N 3.46Å; M1408-R1412 HydrophobicContact CB-CB 4.48Å; M1408-R1412 HydrophobicContact CE-CB 3.53Å; M1408-R1412 HydrophobicContact CE-CG 4.4Å; M1408-R1412 PolarHBondContact N-O 2.88Å; M1408-D1414 HydrophobicContact CE-CB 4.35Å; M1408-D1414 HydrophobicContact CG-CB 4.28Å; M1408-D1414 HydrophobicContact SD-CB 4.14Å; M1408-Y1430 PolarHBondContact SD-OH 3.2Å; M1408-S1433 PolarHBondContact SD-OG 3.26Å; M1408-E1434 WeakPolarHBondContact CB-OE2 3.47Å; M1408-E1434 HydrophobicContact SD-CG 4.24Å | ||
| 1409 | P | 71.2 | Confident | 75.6 | Confident | 58 Ų | 58 | 68.7 Ų | 68.7 | 38% | 0.377 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -25 | -174.8 | -22.2 | 32.2 | 0 | 0 | 0 | 114.1 | G1411 L1437 H1438 | P1409-G1411 PolarHBondContact O-N 2.77Å; P1409-L1437 WeakPolarHBondContact CG-O 3.39Å; P1409-H1438 VanDerWaalsContact CD-CE1 3.47Å; P1409-H1438 WeakPolarHBondContact CD-CE1 3.23Å |
| 1410 | T | 73.8 | Confident | 76.4 | Confident | 85 Ų | 85 | 69.7 Ų | 69.7 | 52% | 0.521 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 2.6 | 173.1 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | M1408 R1412 E1434 | M1408-T1410 PolarHBondContact O-N 2.98Å; T1410-R1412 PolarHBondContact O-N 3.32Å; T1410-R1412 VanDerWaalsContact OG1-CD 3.32Å; T1410-R1412 WeakPolarHBondContact OG1-CD 3.03Å; T1410-R1412 VanDerWaalsContact OG1-CG 3.3Å; T1410-R1412 WeakPolarHBondContact OG1-CG 3.25Å; T1410-E1434 WeakPolarHBondContact CB-OE2 3.18Å; T1410-E1434 WeakPolarHBondContact CG2-OE2 3.24Å; T1410-E1434 PolarHBondContact N-OE2 3.06Å; T1410-E1434 VanDerWaalsContact OG1-CD 3.24Å; T1410-E1434 PolarHBondContact OG1-OE1 3.04Å; T1410-E1434 VanDerWaalsContact OG1-OE1 3.06Å; T1410-E1434 PolarHBondContact OG1-OE2 3.26Å |
| 1411 | G | 63.9 | Low | 76.7 | Confident | 52 Ų | 52 | 64.8 Ų | 64.8 | 54% | 0.536 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 76.1 | -2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | M1408 P1409 | M1408-G1411 WeakPolarHBondContact O-CA 3.43Å; M1408-G1411 PolarHBondContact O-N 3.46Å; P1409-G1411 PolarHBondContact O-N 2.77Å |
| 1412 | R | 76.7 | Confident | 76.1 | Confident | 158 Ų | 158 | 66.5 Ų | 66.5 | 60% | 0.596 | 38% | 0.381 | S | S | * | . | trans | -64.6 | 146.4 | 173.7 | -72 | 174.6 | 176 | 158.2 | -7.1 | 111 | I1407 M1408 T1410 E1434 | I1407-R1412 CarbonylContact C-O 3.57Å; I1407-R1412 WeakPolarHBondContact CA-O 3.41Å; M1408-R1412 HydrophobicContact CB-CB 4.48Å; M1408-R1412 HydrophobicContact CE-CB 3.53Å; M1408-R1412 HydrophobicContact CE-CG 4.4Å; M1408-R1412 PolarHBondContact N-O 2.88Å; T1410-R1412 PolarHBondContact O-N 3.32Å; T1410-R1412 VanDerWaalsContact OG1-CD 3.32Å; T1410-R1412 WeakPolarHBondContact OG1-CD 3.03Å; T1410-R1412 VanDerWaalsContact OG1-CG 3.3Å; T1410-R1412 WeakPolarHBondContact OG1-CG 3.25Å; R1412-E1434 WeakPolarHBondContact CD-OE1 3.43Å; R1412-E1434 IonicContact CZ-OE1 2.72Å; R1412-E1434 IonicContact NE-OE1 2.68Å; R1412-E1434 IonicContact NH1-OE1 3.99Å; R1412-E1434 PolarHBondContact NH1-OE1 2.98Å | ||
| 1413 | V | 77.7 | Confident | 75.4 | Confident | 93 Ų | 93 | 71.3 Ų | 71.3 | 56% | 0.564 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 127.4 | 178.5 | -173.7 | 0 | 0 | 0 | 0 | 110.3 | K1405 V1406 I1407 | K1405-V1413 HydrophobicContact CB-CG1 4.01Å; K1405-V1413 HydrophobicContact CD-CG1 3.95Å; K1405-V1413 HydrophobicContact CG-CG1 4.35Å; V1406-V1413 CarbonylContact O-C 3.6Å; V1406-V1413 WeakPolarHBondContact O-CA 3.2Å; I1407-V1413 HydrophobicContact CG1-CG2 4.45Å |
| 1414 | D | 82.6 | Confident | 73.9 | Confident | 55 Ų | 55 | 69.8 Ų | 69.8 | 29% | 0.294 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 162.4 | -177.7 | -160.3 | -6.5 | 0 | 0 | 0 | 110.6 | K1405 V1406 M1408 Y1430 | K1405-D1414 WeakPolarHBondContact CA-O 3.47Å; V1406-D1414 HydrophobicContact CB-CB 4.47Å; V1406-D1414 PolarHBondContact N-O 3.03Å; V1406-D1414 PolarHBondContact O-N 3.37Å; M1408-D1414 HydrophobicContact CE-CB 4.35Å; M1408-D1414 HydrophobicContact CG-CB 4.28Å; M1408-D1414 HydrophobicContact SD-CB 4.14Å; D1414-Y1430 HydrophobicContact CB-CE2 4.04Å; D1414-Y1430 WeakPolarHBondContact OD2-CE2 3.22Å; D1414-Y1430 PolarHBondContact OD2-OH 3.25Å |
| 1415 | A | 80.4 | Confident | 72.5 | Confident | 79 Ų | 79 | 69.8 Ų | 69.8 | 65% | 0.653 | 41% | 0.405 | S | S | * | . | trans | -116.1 | 98.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1416 | P | 85 | Confident | 71.6 | Confident | 10 Ų | 10 | 63.9 Ų | 63.9 | 7% | 0.065 | 38% | 0.379 | C | S | . | . | trans | -71.6 | 147.8 | 176.8 | 34.5 | -38.1 | 0 | 0 | 0 | 111.1 | A1404 V1406 I1418 I1428 K1429 Y1430 L1440 | A1404-P1416 HydrophobicContact CB-CG 3.72Å; V1406-P1416 HydrophobicContact CG2-CB 4.2Å; V1406-P1416 HydrophobicContact CG2-CG 4.03Å; P1416-I1418 PolarHBondContact O-N 3Å; P1416-I1428 HydrophobicContact CB-CG2 3.72Å; P1416-I1428 HydrophobicContact CG-CG2 3.99Å; P1416-K1429 CarbonylContact C-O 3.5Å; P1416-K1429 WeakPolarHBondContact CA-O 3.35Å; P1416-K1429 WeakPolarHBondContact CB-O 3.43Å; P1416-Y1430 HydrophobicContact CB-CD2 3.91Å; P1416-Y1430 HydrophobicContact CB-CG 4.31Å; P1416-L1440 HydrophobicContact CG-CD1 3.97Å | ||
| 1417 | L | 81.6 | Confident | 70.7 | Confident | 120 Ų | 120 | 64.5 Ų | 64.5 | 63% | 0.628 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 114.2 | -179 | -178.8 | 72.1 | 0 | 0 | 0 | 110.3 | I1428 K1429 | L1417-I1428 CarbonylContact O-C 3.55Å; L1417-I1428 WeakPolarHBondContact O-CA 3.3Å; L1417-K1429 HydrophobicContact CB-CB 4.37Å; L1417-K1429 PolarHBondContact N-O 3.48Å; L1417-K1429 PolarHBondContact O-N 2.87Å |
| 1418 | I | 80.9 | Confident | 70.5 | Confident | 64 Ų | 64 | 62.2 Ų | 62.2 | 33% | 0.328 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 125.7 | 169.4 | -49.8 | 178.1 | 0 | 0 | 0 | 108.6 | L1402 A1404 P1416 V1426 I1428 | L1402-I1418 HydrophobicContact CD2-CG2 4.31Å; A1404-I1418 HydrophobicContact CB-CD1 3.67Å; A1404-I1418 HydrophobicContact CB-CG1 3.78Å; P1416-I1418 PolarHBondContact O-N 3Å; I1418-V1426 HydrophobicContact CG2-CG1 3.45Å; I1418-V1426 VanDerWaalsContact CG2-CG1 3.45Å; I1418-I1428 HydrophobicContact CG1-CD1 4.38Å; I1418-I1428 HydrophobicContact CG1-CG1 4.25Å; I1418-I1428 HydrophobicContact CG2-CG1 4.45Å |
| 1419 | K | 71.7 | Confident | 70.2 | Confident | 115 Ų | 115 | 65 Ų | 65 | 50% | 0.5 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 114.5 | 175.7 | -175.3 | -143.5 | 164.3 | -146.9 | 0 | 109.5 | N1421 T1427 | K1419-N1421 PolarHBondContact NZ-OD1 2.69Å; K1419-T1427 PolarHBondContact N-O 3.2Å; K1419-T1427 PolarHBondContact O-N 3.28Å |
| 1420 | D | 70 | Confident | 70.7 | Confident | 82 Ų | 82 | 62.7 Ų | 62.7 | 44% | 0.439 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 131.3 | 166 | -163.2 | -36.9 | 0 | 0 | 0 | 109.2 | T1399 A1422 | T1399-D1420 WeakPolarHBondContact CG2-OD2 3.35Å; T1399-D1420 PolarHBondContact OG1-OD2 2.83Å; D1420-A1422 WeakPolarHBondContact OD1-CA 3.42Å; D1420-A1422 PolarHBondContact OD1-N 2.89Å |
| 1421 | N | 63.9 | Low | 71.1 | Confident | 37 Ų | 37 | 63.6 Ų | 63.6 | 20% | 0.198 | 37% | 0.366 | C | S | . | . | trans | -90.2 | -8.4 | 178.1 | -68 | -31 | 0 | 0 | 0 | 112.9 | K1419 D1423 S1425 T1427 | K1419-N1421 PolarHBondContact NZ-OD1 2.69Å; N1421-D1423 WeakPolarHBondContact CB-OD1 3.47Å; N1421-D1423 PolarHBondContact O-N 2.74Å; N1421-S1425 WeakPolarHBondContact CB-O 3.31Å; N1421-S1425 PolarHBondContact N-O 2.75Å; N1421-S1425 PolarHBondContact ND2-OG 2.87Å; N1421-T1427 VanDerWaalsContact CG-OG1 3.24Å; N1421-T1427 PolarHBondContact ND2-OG1 2.89Å; N1421-T1427 PolarHBondContact OD1-OG1 3.37Å | ||
| 1422 | A | 52 | Low | 71.7 | Confident | 97 Ų | 97 | 61.4 Ų | 61.4 | 80% | 0.802 | 34% | 0.342 | S | S | * | . | S | Bend | trans | 62.3 | 6.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116 | D1420 | D1420-A1422 WeakPolarHBondContact OD1-CA 3.42Å; D1420-A1422 PolarHBondContact OD1-N 2.89Å |
| 1423 | D | 51.7 | Low | 71.8 | Confident | 119 Ų | 119 | 57.2 Ų | 57.2 | 64% | 0.636 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -98.2 | 6.4 | 169.6 | 59.4 | 16.7 | 0 | 0 | 0 | 112.7 | N1421 S1425 | N1421-D1423 WeakPolarHBondContact CB-OD1 3.47Å; N1421-D1423 PolarHBondContact O-N 2.74Å; D1423-S1425 WeakPolarHBondContact OD1-CA 3.46Å; D1423-S1425 VanDerWaalsContact OD1-CB 3.25Å; D1423-S1425 WeakPolarHBondContact OD1-CB 3.35Å; D1423-S1425 PolarHBondContact OD1-N 2.84Å; D1423-S1425 PolarHBondContact OD1-OG 3.3Å; D1423-S1425 PolarHBondContact OD2-OG 2.9Å |
| 1424 | G | 49.6 | Very low | 71.4 | Confident | 40 Ų | 40 | 53.8 Ų | 53.8 | 41% | 0.412 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 95.7 | -18.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1425 | S | 55.4 | Low | 70.5 | Confident | 13 Ų | 13 | 53.7 Ų | 53.7 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | trans | -89.2 | 158 | 174.1 | 77.9 | 0 | 0 | 0 | 0 | 112.7 | F1394 N1421 D1423 | F1394-S1425 CarbonylContact O-C 3.6Å; F1394-S1425 WeakPolarHBondContact O-CA 3.3Å; N1421-S1425 WeakPolarHBondContact CB-O 3.31Å; N1421-S1425 PolarHBondContact N-O 2.75Å; N1421-S1425 PolarHBondContact ND2-OG 2.87Å; D1423-S1425 WeakPolarHBondContact OD1-CA 3.46Å; D1423-S1425 VanDerWaalsContact OD1-CB 3.25Å; D1423-S1425 WeakPolarHBondContact OD1-CB 3.35Å; D1423-S1425 PolarHBondContact OD1-N 2.84Å; D1423-S1425 PolarHBondContact OD1-OG 3.3Å; D1423-S1425 PolarHBondContact OD2-OG 2.9Å | ||
| 1426 | V | 66.6 | Low | 69.7 | Low | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 128.9 | 176.1 | 175.2 | 0 | 0 | 0 | 0 | 108.6 | T1393 F1394 P1396 T1399 L1402 I1418 I1428 | T1393-V1426 WeakPolarHBondContact CA-O 3.38Å; F1394-V1426 HydrophobicContact CZ-CB 4.49Å; F1394-V1426 HydrophobicContact CZ-CG1 4.43Å; F1394-V1426 PolarHBondContact N-O 2.64Å; F1394-V1426 VanDerWaalsContact N-O 3.08Å; F1394-V1426 PolarHBondContact O-N 2.91Å; P1396-V1426 HydrophobicContact CG-CB 4.37Å; P1396-V1426 HydrophobicContact CG-CG2 3.72Å; T1399-V1426 HydrophobicContact CG2-CG2 3.52Å; L1402-V1426 HydrophobicContact CD2-CB 4.33Å; L1402-V1426 HydrophobicContact CD2-CG1 3.91Å; L1402-V1426 HydrophobicContact CD2-CG2 4.23Å; I1418-V1426 HydrophobicContact CG2-CG1 3.45Å; I1418-V1426 VanDerWaalsContact CG2-CG1 3.45Å; V1426-I1428 HydrophobicContact CG1-CG1 4.46Å |
| 1427 | T | 68.4 | Low | 69.1 | Low | 14 Ų | 14 | 55.2 Ų | 55.2 | 9% | 0.086 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 129 | 169.7 | -52.4 | 0 | 0 | 0 | 0 | 109.5 | T1391 W1392 T1393 K1419 N1421 K1429 | T1391-T1427 HydrophobicContact CG2-CG2 3.46Å; T1391-T1427 VanDerWaalsContact CG2-CG2 3.46Å; W1392-T1427 CarbonylContact O-C 3.47Å; W1392-T1427 WeakPolarHBondContact O-CA 3.23Å; T1393-T1427 PolarHBondContact OG1-OG1 2.94Å; K1419-T1427 PolarHBondContact N-O 3.2Å; K1419-T1427 PolarHBondContact O-N 3.28Å; N1421-T1427 VanDerWaalsContact CG-OG1 3.24Å; N1421-T1427 PolarHBondContact ND2-OG1 2.89Å; N1421-T1427 PolarHBondContact OD1-OG1 3.37Å; T1427-K1429 HydrophobicContact CG2-CG 4.19Å |
| 1428 | I | 76.3 | Confident | 68.8 | Low | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 128.8 | 165.5 | -67.1 | -177.4 | 0 | 0 | 0 | 108.6 | T1391 W1392 F1394 A1404 P1416 L1417 I1418 V1426 L1440 I1442 | T1391-I1428 CarbonylContact C-O 3.58Å; T1391-I1428 WeakPolarHBondContact CA-O 3.24Å; W1392-I1428 HydrophobicContact CE3-CG2 4.17Å; W1392-I1428 PolarHBondContact N-O 2.92Å; W1392-I1428 PolarHBondContact O-N 3Å; F1394-I1428 HydrophobicContact CE1-CD1 3.67Å; F1394-I1428 HydrophobicContact CE1-CG1 3.89Å; F1394-I1428 HydrophobicContact CZ-CD1 3.65Å; F1394-I1428 HydrophobicContact CZ-CG1 4.15Å; A1404-I1428 HydrophobicContact CB-CD1 3.63Å; P1416-I1428 HydrophobicContact CB-CG2 3.72Å; P1416-I1428 HydrophobicContact CG-CG2 3.99Å; L1417-I1428 CarbonylContact O-C 3.55Å; L1417-I1428 WeakPolarHBondContact O-CA 3.3Å; I1418-I1428 HydrophobicContact CG1-CD1 4.38Å; I1418-I1428 HydrophobicContact CG1-CG1 4.25Å; I1418-I1428 HydrophobicContact CG2-CG1 4.45Å; V1426-I1428 HydrophobicContact CG1-CG1 4.46Å; I1428-L1440 HydrophobicContact CG2-CD1 4.49Å; I1428-L1440 HydrophobicContact CG2-CD2 4.49Å; I1428-I1442 HydrophobicContact CD1-CD1 3.61Å; I1428-I1442 HydrophobicContact CD1-CG1 3.72Å; I1428-I1442 HydrophobicContact CD1-CG2 4.29Å |
| 1429 | K | 74.4 | Confident | 68.6 | Low | 74 Ų | 74 | 49 Ų | 49 | 32% | 0.322 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 139.9 | 175.4 | -79.3 | -177.5 | 159.1 | -101.7 | 0 | 111.5 | E1389 K1390 T1391 P1416 L1417 T1427 | E1389-K1429 IonicContact OE1-NZ 3.78Å; E1389-K1429 PolarHBondContact OE1-NZ 3.38Å; E1389-K1429 IonicContact OE2-NZ 2.71Å; E1389-K1429 PolarHBondContact OE2-NZ 2.82Å; E1389-K1429 VanDerWaalsContact OE2-NZ 3.08Å; K1390-K1429 WeakPolarHBondContact O-CA 3.41Å; T1391-K1429 HydrophobicContact CG2-CG 4.09Å; P1416-K1429 CarbonylContact C-O 3.5Å; P1416-K1429 WeakPolarHBondContact CA-O 3.35Å; P1416-K1429 WeakPolarHBondContact CB-O 3.43Å; L1417-K1429 HydrophobicContact CB-CB 4.37Å; L1417-K1429 PolarHBondContact N-O 3.48Å; L1417-K1429 PolarHBondContact O-N 2.87Å; T1427-K1429 HydrophobicContact CG2-CG 4.19Å |
| 1430 | Y | 82.1 | Confident | 69.1 | Low | 8 Ų | 8 | 43.5 Ų | 43.5 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 131 | 176.3 | -173.2 | -117.8 | 0 | 0 | 0 | 111.2 | E1389 K1390 V1406 M1408 D1414 P1416 P1432 F1456 | E1389-Y1430 CarbonylContact C-O 3.59Å; E1389-Y1430 WeakPolarHBondContact CA-O 3.01Å; E1389-Y1430 WeakPolarHBondContact CG-O 3.16Å; K1390-Y1430 PolarHBondContact N-O 3.07Å; K1390-Y1430 PolarHBondContact O-N 3.39Å; V1406-Y1430 HydrophobicContact CB-CD2 4.49Å; V1406-Y1430 HydrophobicContact CB-CE1 4.35Å; V1406-Y1430 HydrophobicContact CB-CE2 4.24Å; V1406-Y1430 HydrophobicContact CG1-CD1 4.34Å; V1406-Y1430 HydrophobicContact CG1-CE1 3.82Å; V1406-Y1430 HydrophobicContact CG1-CE2 4.49Å; V1406-Y1430 HydrophobicContact CG2-CD1 4.05Å; V1406-Y1430 HydrophobicContact CG2-CD2 3.95Å; V1406-Y1430 HydrophobicContact CG2-CE1 4.26Å; V1406-Y1430 HydrophobicContact CG2-CE2 4.2Å; V1406-Y1430 HydrophobicContact CG2-CG 3.9Å; M1408-Y1430 PolarHBondContact SD-OH 3.2Å; D1414-Y1430 HydrophobicContact CB-CE2 4.04Å; D1414-Y1430 WeakPolarHBondContact OD2-CE2 3.22Å; D1414-Y1430 PolarHBondContact OD2-OH 3.25Å; P1416-Y1430 HydrophobicContact CB-CD2 3.91Å; P1416-Y1430 HydrophobicContact CB-CG 4.31Å; Y1430-P1432 HydrophobicContact CD1-CB 4.42Å; Y1430-P1432 HydrophobicContact CD1-CG 3.91Å; Y1430-P1432 HydrophobicContact CE1-CB 3.93Å; Y1430-P1432 HydrophobicContact CE1-CG 3.94Å; Y1430-P1432 WeakPolarHBondContact O-CD 3.37Å; Y1430-F1456 AromaticContact CD1-CE2 3.99Å; Y1430-F1456 HydrophobicContact CD1-CE2 3.99Å; Y1430-F1456 AromaticContact CD1-CZ 3.62Å; Y1430-F1456 HydrophobicContact CD1-CZ 3.62Å; Y1430-F1456 HydrophobicContact CE1-CE2 4.31Å; Y1430-F1456 AromaticContact CE1-CZ 3.94Å; Y1430-F1456 HydrophobicContact CE1-CZ 3.94Å |
| 1431 | Q | 81.9 | Confident | 69.7 | Low | 105 Ų | 105 | 41.2 Ų | 41.2 | 49% | 0.491 | 25% | 0.246 | S | C | . | . | trans | -106 | 103.2 | 172.5 | 174.8 | 54.1 | 66 | 0 | 0 | 108.1 | F1387 | F1387-Q1431 PolarHBondContact O-NE2 2.85Š| ||
| 1432 | P | 77.5 | Confident | 70.5 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.032 | 24% | 0.237 | C | C | . | . | trans | -63.4 | 147.5 | -176.2 | -21.2 | 32.6 | 0 | 0 | 0 | 113 | F1387 S1388 K1390 Y1430 F1456 V1458 | F1387-P1432 HydrophobicContact CB-CB 4.03Å; F1387-P1432 HydrophobicContact CB-CG 4.49Å; S1388-P1432 VanDerWaalsContact O-CD 3.22Å; S1388-P1432 WeakPolarHBondContact O-CD 3.17Å; K1390-P1432 HydrophobicContact CG-CG 4.21Å; Y1430-P1432 HydrophobicContact CD1-CB 4.42Å; Y1430-P1432 HydrophobicContact CD1-CG 3.91Å; Y1430-P1432 HydrophobicContact CE1-CB 3.93Å; Y1430-P1432 HydrophobicContact CE1-CG 3.94Å; Y1430-P1432 WeakPolarHBondContact O-CD 3.37Å; P1432-F1456 HydrophobicContact CG-CE2 4.47Å; P1432-V1458 HydrophobicContact CB-CB 4.4Å; P1432-V1458 HydrophobicContact CB-CG1 3.77Å; P1432-V1458 HydrophobicContact CB-CG2 3.82Å; P1432-V1458 HydrophobicContact CG-CG1 4.13Å; P1432-V1458 HydrophobicContact CG-CG2 3.71Å | ||
| 1433 | S | 77.5 | Confident | 71.6 | Confident | 71 Ų | 71 | 37.9 Ų | 37.9 | 50% | 0.497 | 21% | 0.211 | S | C | . | . | trans | -114.1 | -13.4 | 175.2 | 64.5 | 0 | 0 | 0 | 0 | 113.8 | F1387 M1408 | F1387-S1433 WeakPolarHBondContact CE2-O 3.36Å; M1408-S1433 PolarHBondContact SD-OG 3.26Å | ||
| 1434 | E | 70.1 | Confident | 72 | Confident | 20 Ų | 20 | 34 Ų | 34 | 9% | 0.093 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -125.2 | 148.9 | -179.2 | -64.4 | -177.9 | 176.4 | 0 | 0 | 110.6 | M1408 T1410 R1412 H1438 V1458 | M1408-E1434 WeakPolarHBondContact CB-OE2 3.47Å; M1408-E1434 HydrophobicContact SD-CG 4.24Å; T1410-E1434 WeakPolarHBondContact CB-OE2 3.18Å; T1410-E1434 WeakPolarHBondContact CG2-OE2 3.24Å; T1410-E1434 PolarHBondContact N-OE2 3.06Å; T1410-E1434 VanDerWaalsContact OG1-CD 3.24Å; T1410-E1434 PolarHBondContact OG1-OE1 3.04Å; T1410-E1434 VanDerWaalsContact OG1-OE1 3.06Å; T1410-E1434 PolarHBondContact OG1-OE2 3.26Å; R1412-E1434 WeakPolarHBondContact CD-OE1 3.43Å; R1412-E1434 IonicContact CZ-OE1 2.72Å; R1412-E1434 IonicContact NE-OE1 2.68Å; R1412-E1434 IonicContact NH1-OE1 3.99Å; R1412-E1434 PolarHBondContact NH1-OE1 2.98Å; E1434-H1438 PolarHBondContact O-CE1 3.22Å; E1434-H1438 PolarHBondContact O-NE2 2.79Å; E1434-V1458 WeakPolarHBondContact O-CG1 3.37Å |
| 1435 | P | 63.5 | Low | 72.8 | Confident | 53 Ų | 53 | 39.5 Ų | 39.5 | 34% | 0.344 | 20% | 0.202 | S | C | . | . | trans | -88 | 141.8 | 170.5 | 32.6 | -29.5 | 0 | 0 | 0 | 111.5 | F1387 V1458 K1460 | F1387-P1435 HydrophobicContact CE1-CB 3.77Å; F1387-P1435 HydrophobicContact CE1-CG 4.37Å; F1387-P1435 HydrophobicContact CZ-CB 3.96Å; F1387-P1435 HydrophobicContact CZ-CG 4.06Å; P1435-V1458 CarbonylContact C-O 3.59Å; P1435-V1458 VanDerWaalsContact CA-O 3.26Å; P1435-V1458 WeakPolarHBondContact CA-O 3.27Å; P1435-K1460 HydrophobicContact CB-CG 4.18Å | ||
| 1436 | G | 62.7 | Low | 73.2 | Confident | 15 Ų | 15 | 41.4 Ų | 41.4 | 16% | 0.155 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 128.7 | -164.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | H1438 V1458 | G1436-H1438 PolarHBondContact O-ND1 2.98Å; G1436-V1458 PolarHBondContact N-O 3.03Å; G1436-V1458 PolarHBondContact O-N 3.12Å |
| 1437 | L | 72.3 | Confident | 72.6 | Confident | 106 Ų | 106 | 47.8 Ų | 47.8 | 56% | 0.555 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 124 | -179.6 | -169.7 | 69.1 | 0 | 0 | 0 | 111.6 | P1409 N1455 | P1409-L1437 WeakPolarHBondContact CG-O 3.39Å; L1437-N1455 HydrophobicContact CD1-CB 4.22Å |
| 1438 | H | 77.3 | Confident | 72.1 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 154.4 | 178 | -61.8 | 58.4 | 0 | 0 | 0 | 110.4 | V1406 I1407 P1409 E1434 G1436 N1455 F1456 V1458 | V1406-H1438 HydrophobicContact CG1-CB 4.06Å; I1407-H1438 CarbonylContact O-C 3.47Å; I1407-H1438 WeakPolarHBondContact O-CA 3.42Å; I1407-H1438 WeakPolarHBondContact O-CB 3.44Å; P1409-H1438 VanDerWaalsContact CD-CE1 3.47Å; P1409-H1438 WeakPolarHBondContact CD-CE1 3.23Å; E1434-H1438 PolarHBondContact O-CE1 3.22Å; E1434-H1438 PolarHBondContact O-NE2 2.79Å; G1436-H1438 PolarHBondContact O-ND1 2.98Å; H1438-N1455 CarbonylContact O-C 3.59Å; H1438-N1455 VanDerWaalsContact O-CA 3.27Å; H1438-N1455 WeakPolarHBondContact O-CA 3.11Å; H1438-F1456 HydrophobicContact CB-CD1 3.86Å; H1438-F1456 HydrophobicContact CB-CD2 4.07Å; H1438-F1456 HydrophobicContact CB-CE1 3.44Å; H1438-F1456 VanDerWaalsContact CB-CE1 3.44Å; H1438-F1456 HydrophobicContact CB-CE2 3.69Å; H1438-F1456 HydrophobicContact CB-CG 4.16Å; H1438-F1456 HydrophobicContact CB-CZ 3.37Å; H1438-F1456 AromaticContact CD2-CZ 3.89Å; H1438-F1456 AromaticContact CG-CE2 3.76Å; H1438-F1456 AromaticContact CG-CZ 3.76Å; H1438-F1456 PolarHBondContact N-O 2.76Å; H1438-F1456 PolarHBondContact O-N 2.7Å; H1438-V1458 WeakPolarHBondContact CE1-CG2 3.31Å |
| 1439 | E | 76.1 | Confident | 71.5 | Confident | 53 Ų | 53 | 52.1 Ų | 52.1 | 25% | 0.248 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 120.5 | 170.7 | -53.7 | -168 | 161.9 | 0 | 0 | 111.3 | V1406 I1407 H1441 P1453 | V1406-E1439 CarbonylContact C-O 3.53Å; V1406-E1439 WeakPolarHBondContact CA-O 3.27Å; I1407-E1439 HydrophobicContact CB-CB 4.19Å; I1407-E1439 HydrophobicContact CG1-CB 4.48Å; I1407-E1439 PolarHBondContact N-O 3.44Å; I1407-E1439 PolarHBondContact O-N 3.27Å; E1439-H1441 IonicContact OE2-CD2 2.87Å; E1439-H1441 IonicContact OE2-CE1 3.83Å; E1439-H1441 IonicContact OE2-NE2 2.8Å; E1439-H1441 PolarHBondContact OE2-NE2 2.71Å; E1439-P1453 HydrophobicContact CB-CB 4.43Å |
| 1440 | L | 81.2 | Confident | 70.6 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 104.1 | 172.9 | 171 | 58.4 | 0 | 0 | 0 | 111.3 | W1392 V1406 P1416 I1428 I1442 S1452 P1453 F1454 F1456 | W1392-L1440 HydrophobicContact CD2-CD2 3.44Å; W1392-L1440 VanDerWaalsContact CD2-CD2 3.44Å; W1392-L1440 HydrophobicContact CE3-CD2 3.53Å; W1392-L1440 HydrophobicContact CG-CD2 4.07Å; W1392-L1440 HydrophobicContact CH2-CD2 3.75Å; W1392-L1440 HydrophobicContact CZ2-CD2 3.68Å; W1392-L1440 HydrophobicContact CZ3-CD2 3.69Å; V1406-L1440 HydrophobicContact CG2-CB 4.47Å; V1406-L1440 HydrophobicContact CG2-CD1 3.95Å; P1416-L1440 HydrophobicContact CG-CD1 3.97Å; I1428-L1440 HydrophobicContact CG2-CD1 4.49Å; I1428-L1440 HydrophobicContact CG2-CD2 4.49Å; L1440-I1442 HydrophobicContact CD1-CD1 4.33Å; L1440-I1442 HydrophobicContact CD1-CG1 3.9Å; L1440-I1442 HydrophobicContact CD2-CD1 3.92Å; L1440-I1442 HydrophobicContact CD2-CG1 4.39Å; L1440-I1442 HydrophobicContact CG-CD1 3.92Å; L1440-I1442 HydrophobicContact CG-CG1 3.87Å; L1440-S1452 PolarHBondContact O-OG 3.08Å; L1440-P1453 WeakPolarHBondContact O-CA 3.28Å; L1440-F1454 HydrophobicContact CB-CB 4.23Å; L1440-F1454 PolarHBondContact N-O 3.09Å; L1440-F1454 PolarHBondContact O-N 2.99Å; L1440-F1456 HydrophobicContact CB-CD1 4.23Å; L1440-F1456 HydrophobicContact CB-CE1 3.96Å |
| 1441 | H | 83.1 | Confident | 69.1 | Low | 34 Ų | 34 | 53 Ų | 53 | 16% | 0.157 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 110.4 | 177 | -72.8 | -121.4 | 0 | 0 | 0 | 110 | A1404 K1405 I1407 E1439 H1448 | A1404-H1441 CarbonylContact C-O 3.6Å; A1404-H1441 VanDerWaalsContact CA-O 3.29Å; A1404-H1441 WeakPolarHBondContact CA-O 3.16Å; K1405-H1441 HydrophobicContact CB-CB 4.47Å; K1405-H1441 PolarHBondContact N-O 3.18Å; K1405-H1441 PolarHBondContact O-N 2.8Å; I1407-H1441 WeakPolarHBondContact CD1-NE2 3Å; E1439-H1441 IonicContact OE2-CD2 2.87Å; E1439-H1441 IonicContact OE2-CE1 3.83Å; E1439-H1441 IonicContact OE2-NE2 2.8Å; E1439-H1441 PolarHBondContact OE2-NE2 2.71Å; H1441-H1448 AromaticContact CG-CE1 3.97Å; H1441-H1448 AromaticContact ND1-CE1 3.37Å; H1441-H1448 PolarHBondContact ND1-CE1 2.91Å; H1441-H1448 AromaticContact ND1-NE2 3.87Å |
| 1442 | I | 79.9 | Confident | 68.2 | Low | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 123.5 | 176 | -58.2 | 165.8 | 0 | 0 | 0 | 108.1 | F1394 L1402 T1403 A1404 I1428 L1440 H1448 I1449 S1452 F1454 | F1394-I1442 HydrophobicContact CE1-CD1 3.89Å; F1394-I1442 HydrophobicContact CE2-CG2 4.32Å; F1394-I1442 HydrophobicContact CZ-CD1 4.04Å; F1394-I1442 HydrophobicContact CZ-CG2 3.93Å; L1402-I1442 HydrophobicContact CD1-CG2 3.85Å; L1402-I1442 HydrophobicContact CG-CG2 4.44Å; T1403-I1442 CarbonylContact O-C 3.57Å; T1403-I1442 WeakPolarHBondContact O-CA 3.48Å; A1404-I1442 HydrophobicContact CB-CG1 4.35Å; I1428-I1442 HydrophobicContact CD1-CD1 3.61Å; I1428-I1442 HydrophobicContact CD1-CG1 3.72Å; I1428-I1442 HydrophobicContact CD1-CG2 4.29Å; L1440-I1442 HydrophobicContact CD1-CD1 4.33Å; L1440-I1442 HydrophobicContact CD1-CG1 3.9Å; L1440-I1442 HydrophobicContact CD2-CD1 3.92Å; L1440-I1442 HydrophobicContact CD2-CG1 4.39Å; L1440-I1442 HydrophobicContact CG-CD1 3.92Å; L1440-I1442 HydrophobicContact CG-CG1 3.87Å; I1442-H1448 WeakPolarHBondContact O-CA 3.24Å; I1442-I1449 HydrophobicContact CB-CD1 3.94Å; I1442-I1449 HydrophobicContact CB-CG1 3.97Å; I1442-I1449 HydrophobicContact CD1-CD1 4.28Å; I1442-I1449 HydrophobicContact CG2-CD1 3.56Å; I1442-I1449 HydrophobicContact CG2-CG1 3.89Å; I1442-I1449 HydrophobicContact CG2-CG2 4.4Å; I1442-I1449 PolarHBondContact O-N 3.36Å; I1442-S1452 PolarHBondContact N-OG 3.39Å; I1442-S1452 WeakPolarHBondContact O-CB 3.26Å; I1442-S1452 PolarHBondContact O-OG 2.82Å; I1442-F1454 HydrophobicContact CD1-CD2 3.95Å; I1442-F1454 HydrophobicContact CD1-CE2 3.77Å |
| 1443 | K | 75.3 | Confident | 67.5 | Low | 62 Ų | 62 | 50.8 Ų | 50.8 | 27% | 0.27 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 130.6 | -174.2 | -55.4 | -172.1 | 179.8 | -147.7 | 0 | 111.9 | L1402 T1403 L1447 H1448 | L1402-K1443 CarbonylContact C-O 3.57Å; L1402-K1443 WeakPolarHBondContact CA-O 3.28Å; T1403-K1443 PolarHBondContact N-O 2.75Å; T1403-K1443 PolarHBondContact O-N 3.3Å; T1403-K1443 PolarHBondContact OG1-O 2.88Å; K1443-L1447 CarbonylContact C-O 3.6Å; K1443-L1447 WeakPolarHBondContact CA-O 3.27Å; K1443-L1447 WeakPolarHBondContact CB-O 3.44Å; K1443-H1448 WeakPolarHBondContact CE-CE1 3.31Å; K1443-H1448 WeakPolarHBondContact CE-NE2 3.3Å; K1443-H1448 PolarHBondContact NZ-CD2 2.95Å; K1443-H1448 PolarHBondContact NZ-NE2 2.87Å |
| 1444 | H | 61.7 | Low | 66.8 | Low | 37 Ų | 37 | 48.3 Ų | 48.3 | 17% | 0.171 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 122.6 | 169.9 | 167.7 | -111 | 0 | 0 | 0 | 108.5 | N1400 A1401 L1402 G1446 L1447 I1449 | N1400-H1444 PolarHBondContact O-CD2 3.18Å; A1401-H1444 WeakPolarHBondContact O-CA 3.16Å; L1402-H1444 HydrophobicContact CD1-CB 4.08Å; H1444-G1446 PolarHBondContact O-N 3.49Å; H1444-G1446 VanDerWaalsContact O-N 3.16Å; H1444-L1447 PolarHBondContact N-O 2.85Å; H1444-L1447 PolarHBondContact O-N 3.49Å; H1444-I1449 HydrophobicContact CB-CG2 4.24Å |
| 1445 | K | 66 | Low | 66.5 | Low | 157 Ų | 157 | 48.9 Ų | 48.9 | 68% | 0.683 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 33.9 | -175.2 | -60 | 178.5 | -177.1 | 178.2 | 0 | 113.8 | A1401 L1447 | A1401-K1445 HydrophobicContact CB-CG 4.01Å; A1401-K1445 PolarHBondContact O-N 2.79Å; K1445-L1447 VanDerWaalsContact C-N 3.33Å; K1445-L1447 PolarHBondContact O-N 3.36Å |
| 1446 | G | 63.9 | Low | 66.3 | Low | 52 Ų | 52 | 46.9 Ų | 46.9 | 54% | 0.536 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | -13.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.9 | H1444 | H1444-G1446 PolarHBondContact O-N 3.49Å; H1444-G1446 VanDerWaalsContact O-N 3.16Å |
| 1447 | L | 53.9 | Low | 66.4 | Low | 135 Ų | 135 | 49 Ų | 49 | 71% | 0.707 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 143.2 | 172.9 | -64.5 | 173.4 | 0 | 0 | 0 | 110.3 | K1443 H1444 K1445 | K1443-L1447 CarbonylContact C-O 3.6Å; K1443-L1447 WeakPolarHBondContact CA-O 3.27Å; K1443-L1447 WeakPolarHBondContact CB-O 3.44Å; H1444-L1447 PolarHBondContact N-O 2.85Å; H1444-L1447 PolarHBondContact O-N 3.49Å; K1445-L1447 VanDerWaalsContact C-N 3.33Å; K1445-L1447 PolarHBondContact O-N 3.36Å |
| 1448 | H | 57.8 | Low | 66 | Low | 75 Ų | 75 | 44 Ų | 44 | 35% | 0.347 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 143 | 172.9 | -78.7 | -90.1 | 0 | 0 | 0 | 111 | H1441 I1442 K1443 S1452 | H1441-H1448 AromaticContact CG-CE1 3.97Å; H1441-H1448 AromaticContact ND1-CE1 3.37Å; H1441-H1448 PolarHBondContact ND1-CE1 2.91Å; H1441-H1448 AromaticContact ND1-NE2 3.87Å; I1442-H1448 WeakPolarHBondContact O-CA 3.24Å; K1443-H1448 WeakPolarHBondContact CE-CE1 3.31Å; K1443-H1448 WeakPolarHBondContact CE-NE2 3.3Å; K1443-H1448 PolarHBondContact NZ-CD2 2.95Å; K1443-H1448 PolarHBondContact NZ-NE2 2.87Å; H1448-S1452 PolarHBondContact ND1-O 2.67Å; H1448-S1452 PolarHBondContact ND1-OG 3Å; H1448-S1452 VanDerWaalsContact ND1-OG 3.12Å |
| 1449 | I | 63.7 | Low | 65.1 | Low | 30 Ų | 30 | 44.9 Ų | 44.9 | 15% | 0.154 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -75.3 | 160.9 | 164.5 | 66.3 | 168.1 | 0 | 0 | 0 | 110.2 | F1394 L1402 I1442 H1444 G1451 S1452 F1454 | F1394-I1449 HydrophobicContact CD2-CD1 3.95Å; F1394-I1449 HydrophobicContact CE2-CD1 3.75Å; F1394-I1449 HydrophobicContact CZ-CD1 4.22Å; L1402-I1449 HydrophobicContact CD1-CG2 4.42Å; I1442-I1449 HydrophobicContact CB-CD1 3.94Å; I1442-I1449 HydrophobicContact CB-CG1 3.97Å; I1442-I1449 HydrophobicContact CD1-CD1 4.28Å; I1442-I1449 HydrophobicContact CG2-CD1 3.56Å; I1442-I1449 HydrophobicContact CG2-CG1 3.89Å; I1442-I1449 HydrophobicContact CG2-CG2 4.4Å; I1442-I1449 PolarHBondContact O-N 3.36Å; H1444-I1449 HydrophobicContact CB-CG2 4.24Å; I1449-G1451 PolarHBondContact O-N 2.66Å; I1449-S1452 VanDerWaalsContact O-CB 3.28Å; I1449-S1452 WeakPolarHBondContact O-CB 3.47Å; I1449-S1452 PolarHBondContact O-N 3.27Å; I1449-F1454 HydrophobicContact CD1-CE2 4.18Å; I1449-F1454 HydrophobicContact CD1-CZ 4.4Å; I1449-F1454 HydrophobicContact CG1-CE2 4.24Å |
| 1450 | S | 54.9 | Low | 64 | Low | 86 Ų | 86 | 47.7 Ų | 47.7 | 60% | 0.601 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 135.9 | 175.5 | -164.7 | 0 | 0 | 0 | 0 | 111.1 | S1452 F1454 | S1450-S1452 VanDerWaalsContact C-N 3.29Å; S1450-S1452 PolarHBondContact O-N 3.22Å; S1450-F1454 WeakPolarHBondContact O-CZ 3.4Å |
| 1451 | G | 51.6 | Low | 62.4 | Low | 16 Ų | 16 | 53 Ų | 53 | 17% | 0.165 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -10.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | I1449 P1453 F1454 | I1449-G1451 PolarHBondContact O-N 2.66Å; G1451-P1453 CarbonylContact O-C 3.54Å; G1451-F1454 VanDerWaalsContact C-CZ 3.44Å; G1451-F1454 VanDerWaalsContact O-CD1 3.25Å; G1451-F1454 WeakPolarHBondContact O-CD1 3.44Å; G1451-F1454 WeakPolarHBondContact O-CE1 3.31Å; G1451-F1454 WeakPolarHBondContact O-CG 3.36Å |
| 1452 | S | 62.3 | Low | 60.5 | Low | 17 Ų | 17 | 53.9 Ų | 53.9 | 12% | 0.119 | 30% | 0.302 | C | S | . | . | trans | -91.6 | 139.2 | 178.6 | -166.3 | 0 | 0 | 0 | 0 | 112.5 | L1440 I1442 H1448 I1449 S1450 | L1440-S1452 PolarHBondContact O-OG 3.08Å; I1442-S1452 PolarHBondContact N-OG 3.39Å; I1442-S1452 WeakPolarHBondContact O-CB 3.26Å; I1442-S1452 PolarHBondContact O-OG 2.82Å; H1448-S1452 PolarHBondContact ND1-O 2.67Å; H1448-S1452 PolarHBondContact ND1-OG 3Å; H1448-S1452 VanDerWaalsContact ND1-OG 3.12Å; I1449-S1452 VanDerWaalsContact O-CB 3.28Å; I1449-S1452 WeakPolarHBondContact O-CB 3.47Å; I1449-S1452 PolarHBondContact O-N 3.27Å; S1450-S1452 VanDerWaalsContact C-N 3.29Å; S1450-S1452 PolarHBondContact O-N 3.22Å | ||
| 1453 | P | 63.7 | Low | 58.9 | Low | 46 Ų | 46 | 57.5 Ų | 57.5 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | S | Bend | cis | -74.2 | 137 | 2.8 | 30.8 | -34.7 | 0 | 0 | 0 | 113.9 | E1439 L1440 G1451 | E1439-P1453 HydrophobicContact CB-CB 4.43Å; L1440-P1453 WeakPolarHBondContact O-CA 3.28Å; G1451-P1453 CarbonylContact O-C 3.54Å |
| 1454 | F | 61.9 | Low | 57.6 | Low | 19 Ų | 19 | 56.2 Ų | 56.2 | 8% | 0.083 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 111.8 | 179.1 | -59 | -93.1 | 0 | 0 | 0 | 109.7 | L1440 I1442 I1449 S1450 G1451 F1475 | L1440-F1454 HydrophobicContact CB-CB 4.23Å; L1440-F1454 PolarHBondContact N-O 3.09Å; L1440-F1454 PolarHBondContact O-N 2.99Å; I1442-F1454 HydrophobicContact CD1-CD2 3.95Å; I1442-F1454 HydrophobicContact CD1-CE2 3.77Å; I1449-F1454 HydrophobicContact CD1-CE2 4.18Å; I1449-F1454 HydrophobicContact CD1-CZ 4.4Å; I1449-F1454 HydrophobicContact CG1-CE2 4.24Å; S1450-F1454 WeakPolarHBondContact O-CZ 3.4Å; G1451-F1454 VanDerWaalsContact C-CZ 3.44Å; G1451-F1454 VanDerWaalsContact O-CD1 3.25Å; G1451-F1454 WeakPolarHBondContact O-CD1 3.44Å; G1451-F1454 WeakPolarHBondContact O-CE1 3.31Å; G1451-F1454 WeakPolarHBondContact O-CG 3.36Å; F1454-F1475 HydrophobicContact CD1-CB 4.1Å; F1454-F1475 AromaticContact CD1-CD2 3.86Å; F1454-F1475 HydrophobicContact CD1-CD2 3.86Å; F1454-F1475 HydrophobicContact CD1-CE2 4.49Å; F1454-F1475 AromaticContact CD1-CG 3.92Å; F1454-F1475 HydrophobicContact CD1-CG 3.92Å; F1454-F1475 HydrophobicContact CE1-CD1 4.24Å; F1454-F1475 AromaticContact CE1-CD2 3.59Å; F1454-F1475 HydrophobicContact CE1-CD2 3.59Å; F1454-F1475 HydrophobicContact CE1-CE1 4.4Å; F1454-F1475 AromaticContact CE1-CE2 3.78Å; F1454-F1475 HydrophobicContact CE1-CE2 3.78Å; F1454-F1475 AromaticContact CE1-CG 3.83Å; F1454-F1475 HydrophobicContact CE1-CG 3.83Å; F1454-F1475 HydrophobicContact CE1-CZ 4.18Å |
| 1455 | N | 63.3 | Low | 57.3 | Low | 32 Ų | 32 | 57.9 Ų | 57.9 | 17% | 0.171 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 149 | 175.5 | -61.6 | -28.1 | 0 | 0 | 0 | 110.3 | L1437 H1438 S1474 | L1437-N1455 HydrophobicContact CD1-CB 4.22Å; H1438-N1455 CarbonylContact O-C 3.59Å; H1438-N1455 VanDerWaalsContact O-CA 3.27Å; H1438-N1455 WeakPolarHBondContact O-CA 3.11Å; N1455-S1474 WeakPolarHBondContact O-CB 3.28Å; N1455-S1474 PolarHBondContact O-OG 2.91Å |
| 1456 | F | 59.3 | Low | 57.4 | Low | 11 Ų | 11 | 51.4 Ų | 51.4 | 5% | 0.048 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 141.5 | 169.7 | 66 | -83.9 | 0 | 0 | 0 | 112.5 | K1390 W1392 V1406 Y1430 P1432 H1438 L1440 V1458 | K1390-F1456 HydrophobicContact CG-CD2 4.01Å; K1390-F1456 HydrophobicContact CG-CE2 3.98Å; W1392-F1456 AromaticContact CH2-CD1 3.96Å; W1392-F1456 HydrophobicContact CH2-CD1 3.96Å; W1392-F1456 HydrophobicContact CH2-CD2 4.38Å; W1392-F1456 AromaticContact CH2-CE1 3.78Å; W1392-F1456 HydrophobicContact CH2-CE1 3.78Å; W1392-F1456 HydrophobicContact CH2-CE2 4.21Å; W1392-F1456 HydrophobicContact CH2-CG 4.26Å; W1392-F1456 AromaticContact CH2-CZ 3.89Å; W1392-F1456 HydrophobicContact CH2-CZ 3.89Å; W1392-F1456 HydrophobicContact CZ2-CB 4.35Å; W1392-F1456 AromaticContact CZ2-CD1 3.67Å; W1392-F1456 HydrophobicContact CZ2-CD1 3.67Å; W1392-F1456 HydrophobicContact CZ2-CD2 4.37Å; W1392-F1456 AromaticContact CZ2-CE1 3.97Å; W1392-F1456 HydrophobicContact CZ2-CE1 3.97Å; W1392-F1456 AromaticContact CZ2-CG 3.88Å; W1392-F1456 HydrophobicContact CZ2-CG 3.88Å; W1392-F1456 HydrophobicContact CZ2-CZ 4.43Å; V1406-F1456 HydrophobicContact CG1-CE1 4.06Å; V1406-F1456 HydrophobicContact CG1-CZ 3.8Å; V1406-F1456 HydrophobicContact CG2-CE1 4.19Å; V1406-F1456 HydrophobicContact CG2-CZ 4.18Å; Y1430-F1456 AromaticContact CD1-CE2 3.99Å; Y1430-F1456 HydrophobicContact CD1-CE2 3.99Å; Y1430-F1456 AromaticContact CD1-CZ 3.62Å; Y1430-F1456 HydrophobicContact CD1-CZ 3.62Å; Y1430-F1456 HydrophobicContact CE1-CE2 4.31Å; Y1430-F1456 AromaticContact CE1-CZ 3.94Å; Y1430-F1456 HydrophobicContact CE1-CZ 3.94Å; P1432-F1456 HydrophobicContact CG-CE2 4.47Å; H1438-F1456 HydrophobicContact CB-CD1 3.86Å; H1438-F1456 HydrophobicContact CB-CD2 4.07Å; H1438-F1456 HydrophobicContact CB-CE1 3.44Å; H1438-F1456 VanDerWaalsContact CB-CE1 3.44Å; H1438-F1456 HydrophobicContact CB-CE2 3.69Å; H1438-F1456 HydrophobicContact CB-CG 4.16Å; H1438-F1456 HydrophobicContact CB-CZ 3.37Å; H1438-F1456 AromaticContact CD2-CZ 3.89Å; H1438-F1456 AromaticContact CG-CE2 3.76Å; H1438-F1456 AromaticContact CG-CZ 3.76Å; H1438-F1456 PolarHBondContact N-O 2.76Å; H1438-F1456 PolarHBondContact O-N 2.7Å; L1440-F1456 HydrophobicContact CB-CD1 4.23Å; L1440-F1456 HydrophobicContact CB-CE1 3.96Å; F1456-V1458 HydrophobicContact CD2-CG2 3.9Å; F1456-V1458 HydrophobicContact CE2-CG2 3.79Å |
| 1457 | F | 65.9 | Low | 57.4 | Low | 60 Ų | 60 | 50 Ų | 50 | 26% | 0.263 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 142.6 | 179.8 | -168.7 | -103.5 | 0 | 0 | 0 | 112.2 | D1542 F1546 | F1457-D1542 HydrophobicContact CE1-CB 4.35Å; F1457-D1542 HydrophobicContact CZ-CB 4.5Å; F1457-F1546 HydrophobicContact CB-CD1 4.39Å; F1457-F1546 HydrophobicContact CB-CE1 4.13Å; F1457-F1546 HydrophobicContact CD1-CE1 4.2Å; F1457-F1546 HydrophobicContact CG-CE1 4.31Å |
| 1458 | V | 64.3 | Low | 58.4 | Low | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 96.6 | 177.1 | -178.7 | 0 | 0 | 0 | 0 | 108.9 | F1387 P1432 E1434 P1435 G1436 H1438 F1456 | F1387-V1458 HydrophobicContact CB-CG1 3.76Å; F1387-V1458 HydrophobicContact CD1-CG1 3.56Å; F1387-V1458 HydrophobicContact CE1-CG1 4.35Å; F1387-V1458 HydrophobicContact CG-CG1 3.74Å; P1432-V1458 HydrophobicContact CB-CB 4.4Å; P1432-V1458 HydrophobicContact CB-CG1 3.77Å; P1432-V1458 HydrophobicContact CB-CG2 3.82Å; P1432-V1458 HydrophobicContact CG-CG1 4.13Å; P1432-V1458 HydrophobicContact CG-CG2 3.71Å; E1434-V1458 WeakPolarHBondContact O-CG1 3.37Å; P1435-V1458 CarbonylContact C-O 3.59Å; P1435-V1458 VanDerWaalsContact CA-O 3.26Å; P1435-V1458 WeakPolarHBondContact CA-O 3.27Å; G1436-V1458 PolarHBondContact N-O 3.03Å; G1436-V1458 PolarHBondContact O-N 3.12Å; H1438-V1458 WeakPolarHBondContact CE1-CG2 3.31Å; F1456-V1458 HydrophobicContact CD2-CG2 3.9Å; F1456-V1458 HydrophobicContact CE2-CG2 3.79Å |
| 1459 | G | 58.5 | Low | 58.7 | Low | 20 Ų | 20 | 45.1 Ų | 45.1 | 21% | 0.206 | 29% | 0.285 | C | S | . | . | trans | -77.4 | 157.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1460 | K | 52.4 | Low | 58.2 | Low | 112 Ų | 112 | 45.2 Ų | 45.2 | 49% | 0.487 | 29% | 0.293 | S | S | . | . | trans | -75.3 | 131.5 | 173 | -62.2 | 173.8 | -178.7 | 168.8 | 0 | 109.7 | L1385 F1387 P1435 A1462 | L1385-K1460 HydrophobicContact CD2-CB 4.2Å; L1385-K1460 HydrophobicContact CD2-CD 4.07Å; L1385-K1460 HydrophobicContact CD2-CG 3.99Å; F1387-K1460 HydrophobicContact CE1-CG 4.44Å; P1435-K1460 HydrophobicContact CB-CG 4.18Å; K1460-A1462 PolarHBondContact O-N 2.81Å | ||
| 1461 | L | 48.2 | Very low | 58.5 | Low | 112 Ų | 112 | 45.2 Ų | 45.2 | 59% | 0.586 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -82.8 | 19.8 | -178.4 | -83.2 | 166 | 0 | 0 | 0 | 114.9 | ||
| 1462 | A | 42 | Very low | 59.5 | Low | 52 Ų | 52 | 44.5 Ų | 44.5 | 43% | 0.43 | 28% | 0.278 | S | S | . | . | trans | -123.9 | 147.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1460 | K1460-A1462 PolarHBondContact O-N 2.81Š| ||
| 1463 | G | 46.8 | Very low | 59.9 | Low | 77 Ų | 77 | 44.3 Ų | 44.3 | 79% | 0.794 | 28% | 0.276 | S | S | * | . | S | Bend | trans | 93.9 | 23.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | C1465 | G1463-C1465 PolarHBondContact O-N 3.27Å; G1463-C1465 VanDerWaalsContact O-N 3.1Å |
| 1464 | G | 48.4 | Very low | 59.7 | Low | 34 Ų | 34 | 42.6 Ų | 42.6 | 35% | 0.351 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 68.7 | 9.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1465 | C | 55.2 | Low | 59.4 | Low | 73 Ų | 73 | 43.9 Ų | 43.9 | 49% | 0.493 | 27% | 0.271 | S | S | . | . | trans | -69 | 136.6 | 176.2 | -63.6 | 0 | 0 | 0 | 0 | 110.7 | G1463 T1467 | G1463-C1465 PolarHBondContact O-N 3.27Å; G1463-C1465 VanDerWaalsContact O-N 3.1Å; C1465-T1467 PolarHBondContact O-N 3.01Å | ||
| 1466 | V | 67 | Low | 59.5 | Low | 20 Ų | 20 | 42.6 Ų | 42.6 | 12% | 0.121 | 27% | 0.265 | C | S | . | . | trans | -69.5 | 125.8 | 172 | -179.7 | 0 | 0 | 0 | 0 | 108.8 | V1486 C1487 V1488 Y1536 I1541 | V1466-V1486 HydrophobicContact CG1-CG1 3.51Å; V1466-C1487 WeakPolarHBondContact CA-O 3.41Å; V1466-V1488 HydrophobicContact CG1-CG2 3.99Å; V1466-V1488 HydrophobicContact CG2-CB 4.48Å; V1466-V1488 HydrophobicContact CG2-CG1 4.08Å; V1466-V1488 HydrophobicContact CG2-CG2 4.32Å; V1466-Y1536 HydrophobicContact CG2-CD1 3.68Å; V1466-Y1536 HydrophobicContact CG2-CD2 4.32Å; V1466-Y1536 HydrophobicContact CG2-CE1 4.23Å; V1466-Y1536 HydrophobicContact CG2-CG 3.73Å; V1466-I1541 HydrophobicContact CB-CG2 3.95Å; V1466-I1541 HydrophobicContact CG1-CD1 4.47Å; V1466-I1541 HydrophobicContact CG1-CG2 3.88Å | ||
| 1467 | T | 65.5 | Low | 59.4 | Low | 22 Ų | 22 | 44.3 Ų | 44.3 | 14% | 0.135 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 137.4 | -173.4 | 43.7 | 0 | 0 | 0 | 0 | 110.7 | C1465 V1486 C1487 | C1465-T1467 PolarHBondContact O-N 3.01Å; T1467-V1486 CarbonylContact O-C 3.52Å; T1467-V1486 WeakPolarHBondContact O-CA 3.28Å; T1467-C1487 PolarHBondContact N-O 3.36Å; T1467-C1487 PolarHBondContact O-N 3.36Å |
| 1468 | A | 73 | Confident | 59.1 | Low | 10 Ų | 10 | 41.5 Ų | 41.5 | 8% | 0.083 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 143.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1473 T1485 V1486 I1534 I1541 F1546 | A1468-L1473 HydrophobicContact CB-CD1 3.68Å; A1468-L1473 HydrophobicContact CB-CD2 4.25Å; A1468-T1485 CarbonylContact C-O 3.58Å; A1468-T1485 WeakPolarHBondContact CA-O 3.29Å; A1468-V1486 HydrophobicContact CB-CG2 4.03Å; A1468-I1534 HydrophobicContact CB-CD1 3.77Å; A1468-I1541 HydrophobicContact CB-CD1 3.72Å; A1468-F1546 HydrophobicContact CB-CE2 4.25Å; A1468-F1546 HydrophobicContact CB-CZ 4.08Å |
| 1469 | Y | 64 | Low | 58.6 | Low | 99 Ų | 99 | 43.8 Ų | 43.8 | 39% | 0.388 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 143.8 | 176.2 | 60.4 | -90.7 | 0 | 0 | 0 | 112.3 | F1484 T1485 C1487 | Y1469-F1484 CarbonylContact O-C 3.54Å; Y1469-T1485 HydrophobicContact CE1-CG2 4.43Å; Y1469-T1485 HydrophobicContact CE2-CG2 4.47Å; Y1469-T1485 PolarHBondContact N-O 2.9Å; Y1469-T1485 PolarHBondContact O-N 2.62Å; Y1469-C1487 HydrophobicContact CE1-CB 4.18Å |
| 1470 | G | 54.7 | Low | 58.6 | Low | 32 Ų | 32 | 48 Ų | 48 | 33% | 0.33 | 30% | 0.3 | S | S | . | . | S | Bend | trans | 139.4 | 163.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G1472 L1473 | G1470-G1472 PolarHBondContact O-N 3.25Å; G1470-L1473 PolarHBondContact O-N 2.89Å; G1470-L1473 VanDerWaalsContact O-N 3.12Å |
| 1471 | N | 60.6 | Low | 59.1 | Low | 86 Ų | 86 | 46.7 Ų | 46.7 | 46% | 0.46 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -60.9 | -35.1 | -170 | -64.3 | -3.1 | 0 | 0 | 0 | 112.1 | L1473 S1474 F1475 A1483 | N1471-L1473 PolarHBondContact O-N 3.09Å; N1471-L1473 VanDerWaalsContact O-N 3.07Å; N1471-S1474 PolarHBondContact O-N 3.16Å; N1471-S1474 PolarHBondContact O-OG 2.99Å; N1471-F1475 PolarHBondContact O-N 2.91Å; N1471-F1475 VanDerWaalsContact O-O 3.08Å; N1471-A1483 PolarHBondContact N-O 2.71Å |
| 1472 | G | 72.8 | Confident | 60 | Low | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -66 | -6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | G1470 S1474 A1483 W1522 I1532 | G1470-G1472 PolarHBondContact O-N 3.25Å; G1472-S1474 VanDerWaalsContact C-N 3.34Å; G1472-A1483 PolarHBondContact N-O 2.91Å; G1472-W1522 PolarHBondContact O-NE1 3.06Å; G1472-I1532 WeakPolarHBondContact O-CD1 3.44Å |
| 1473 | L | 70.1 | Confident | 61.7 | Low | 13 Ų | 13 | 41.4 Ų | 41.4 | 7% | 0.068 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -81 | -16.5 | 169.1 | -64.6 | 175.5 | 0 | 0 | 0 | 113.1 | A1468 G1470 N1471 F1484 I1532 I1534 F1546 R1547 | A1468-L1473 HydrophobicContact CB-CD1 3.68Å; A1468-L1473 HydrophobicContact CB-CD2 4.25Å; G1470-L1473 PolarHBondContact O-N 2.89Å; G1470-L1473 VanDerWaalsContact O-N 3.12Å; N1471-L1473 PolarHBondContact O-N 3.09Å; N1471-L1473 VanDerWaalsContact O-N 3.07Å; L1473-F1484 HydrophobicContact CD1-CB 4.34Å; L1473-F1484 HydrophobicContact CD2-CB 4.1Å; L1473-F1484 HydrophobicContact CD2-CD1 3.75Å; L1473-F1484 HydrophobicContact CD2-CD2 3.58Å; L1473-F1484 HydrophobicContact CD2-CE1 3.94Å; L1473-F1484 HydrophobicContact CD2-CE2 3.79Å; L1473-F1484 HydrophobicContact CD2-CG 3.55Å; L1473-F1484 HydrophobicContact CD2-CZ 3.96Å; L1473-F1484 HydrophobicContact CG-CB 3.7Å; L1473-F1484 HydrophobicContact CG-CD1 4.14Å; L1473-F1484 HydrophobicContact CG-CD2 4.11Å; L1473-F1484 HydrophobicContact CG-CG 3.75Å; L1473-I1532 HydrophobicContact CD2-CG2 4.28Å; L1473-I1534 HydrophobicContact CD2-CD1 3.7Å; L1473-F1546 HydrophobicContact CB-CB 4.12Å; L1473-F1546 HydrophobicContact CB-CD1 4.19Å; L1473-F1546 HydrophobicContact CB-CG 4.22Å; L1473-F1546 HydrophobicContact CD1-CD1 4.1Å; L1473-F1546 HydrophobicContact CD1-CE1 4.08Å; L1473-F1546 HydrophobicContact CD1-CG 4.46Å; L1473-F1546 HydrophobicContact CD1-CZ 4.42Å; L1473-F1546 HydrophobicContact CD2-CB 4.25Å; L1473-F1546 HydrophobicContact CD2-CD1 4.4Å; L1473-F1546 HydrophobicContact CD2-CD2 3.91Å; L1473-F1546 HydrophobicContact CD2-CE2 4.38Å; L1473-F1546 HydrophobicContact CD2-CG 3.94Å; L1473-F1546 HydrophobicContact CG-CD1 4.47Å; L1473-F1546 HydrophobicContact CG-CG 4.43Å; L1473-F1546 WeakPolarHBondContact O-CB 3.47Å; L1473-R1547 CarbonylContact O-C 3.54Å |
| 1474 | S | 59.7 | Low | 63.3 | Low | 11 Ų | 11 | 37.9 Ų | 37.9 | 8% | 0.077 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135.4 | -21.8 | -166.9 | 49.4 | 0 | 0 | 0 | 0 | 115.6 | N1455 N1471 G1472 A1548 T1549 | N1455-S1474 WeakPolarHBondContact O-CB 3.28Å; N1455-S1474 PolarHBondContact O-OG 2.91Å; N1471-S1474 PolarHBondContact O-N 3.16Å; N1471-S1474 PolarHBondContact O-OG 2.99Å; G1472-S1474 VanDerWaalsContact C-N 3.34Å; S1474-A1548 VanDerWaalsContact C-CA 3.48Å; S1474-A1548 WeakPolarHBondContact O-CA 3.49Å; S1474-T1549 PolarHBondContact O-N 2.87Å |
| 1475 | F | 56.8 | Low | 64.6 | Low | 46 Ų | 46 | 37.3 Ų | 37.3 | 20% | 0.202 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 146.8 | -178 | 176.7 | -104.3 | 0 | 0 | 0 | 111.6 | F1454 N1471 I1477 T1549 | F1454-F1475 HydrophobicContact CD1-CB 4.1Å; F1454-F1475 AromaticContact CD1-CD2 3.86Å; F1454-F1475 HydrophobicContact CD1-CD2 3.86Å; F1454-F1475 HydrophobicContact CD1-CE2 4.49Å; F1454-F1475 AromaticContact CD1-CG 3.92Å; F1454-F1475 HydrophobicContact CD1-CG 3.92Å; F1454-F1475 HydrophobicContact CE1-CD1 4.24Å; F1454-F1475 AromaticContact CE1-CD2 3.59Å; F1454-F1475 HydrophobicContact CE1-CD2 3.59Å; F1454-F1475 HydrophobicContact CE1-CE1 4.4Å; F1454-F1475 AromaticContact CE1-CE2 3.78Å; F1454-F1475 HydrophobicContact CE1-CE2 3.78Å; F1454-F1475 AromaticContact CE1-CG 3.83Å; F1454-F1475 HydrophobicContact CE1-CG 3.83Å; F1454-F1475 HydrophobicContact CE1-CZ 4.18Å; N1471-F1475 PolarHBondContact O-N 2.91Å; N1471-F1475 VanDerWaalsContact O-O 3.08Å; F1475-I1477 HydrophobicContact CE1-CD1 4.23Å; F1475-I1477 HydrophobicContact CE1-CG1 3.84Å; F1475-I1477 HydrophobicContact CZ-CD1 4.21Å; F1475-I1477 HydrophobicContact CZ-CG1 3.66Å; F1475-T1549 WeakPolarHBondContact CA-O 3.35Å; F1475-T1549 VanDerWaalsContact CD2-O 3.28Å; F1475-T1549 WeakPolarHBondContact CD2-O 3.12Å |
| 1476 | G | 64.6 | Low | 65.7 | Low | 4 Ų | 4 | 33.9 Ų | 33.9 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 165.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1549 V1550 S1551 | G1476-T1549 PolarHBondContact N-O 2.91Å; G1476-V1550 VanDerWaalsContact O-CA 3.32Å; G1476-V1550 WeakPolarHBondContact O-CA 3.37Å; G1476-S1551 PolarHBondContact O-N 2.54Å |
| 1477 | I | 56.6 | Low | 65.9 | Low | 47 Ų | 47 | 33.5 Ų | 33.5 | 24% | 0.241 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 130.1 | 167.2 | -61.1 | 173.3 | 0 | 0 | 0 | 105.6 | F1475 G1479 E1480 S1551 | F1475-I1477 HydrophobicContact CE1-CD1 4.23Å; F1475-I1477 HydrophobicContact CE1-CG1 3.84Å; F1475-I1477 HydrophobicContact CZ-CD1 4.21Å; F1475-I1477 HydrophobicContact CZ-CG1 3.66Å; I1477-G1479 PolarHBondContact O-N 2.98Å; I1477-E1480 HydrophobicContact CB-CB 4.27Å; I1477-E1480 HydrophobicContact CB-CG 4.34Å; I1477-E1480 HydrophobicContact CG2-CG 4.36Å; I1477-E1480 PolarHBondContact O-N 3.47Å; I1477-S1551 WeakPolarHBondContact CA-O 3.49Å |
| 1478 | A | 60.9 | Low | 65.9 | Low | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 137.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E1480 P1524 V1550 S1551 G1552 E1553 | A1478-E1480 VanDerWaalsContact C-N 3.34Å; A1478-P1524 CarbonylContact C-O 3.6Å; A1478-P1524 WeakPolarHBondContact CA-O 3.26Å; A1478-P1524 HydrophobicContact CB-CB 4.18Å; A1478-P1524 WeakPolarHBondContact CB-O 3.33Å; A1478-V1550 HydrophobicContact CB-CG1 4.01Å; A1478-S1551 PolarHBondContact N-O 3.14Å; A1478-G1552 WeakPolarHBondContact CB-O 3.44Å; A1478-E1553 VanDerWaalsContact CB-C 3.49Å; A1478-E1553 WeakPolarHBondContact CB-O 3.4Å |
| 1479 | G | 53.5 | Low | 64.9 | Low | 48 Ų | 48 | 39 Ų | 39 | 50% | 0.495 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | -20.7 | -166 | 0 | 0 | 0 | 0 | 0 | 114.5 | I1477 P1524 | I1477-G1479 PolarHBondContact O-N 2.98Å; G1479-P1524 PolarHBondContact N-O 2.79Å |
| 1480 | E | 57.9 | Low | 64.4 | Low | 108 Ų | 108 | 41.1 Ų | 41.1 | 51% | 0.505 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -100.7 | 147.9 | -179.6 | -66.7 | -161.6 | 157.5 | 0 | 0 | 113.7 | I1477 A1478 A1482 P1524 | I1477-E1480 HydrophobicContact CB-CB 4.27Å; I1477-E1480 HydrophobicContact CB-CG 4.34Å; I1477-E1480 HydrophobicContact CG2-CG 4.36Å; I1477-E1480 PolarHBondContact O-N 3.47Å; A1478-E1480 VanDerWaalsContact C-N 3.34Å; E1480-A1482 PolarHBondContact O-N 2.85Å; E1480-A1482 VanDerWaalsContact O-N 3.15Å; E1480-P1524 WeakPolarHBondContact O-CD 3.4Å |
| 1481 | P | 63.7 | Low | 64 | Low | 86 Ų | 86 | 44.4 Ų | 44.4 | 56% | 0.558 | 25% | 0.253 | S | S | * | . | trans | -73.4 | 101.4 | 177.3 | 28.5 | -33.8 | 0 | 0 | 0 | 112.8 | T1521 W1522 I1523 | P1481-T1521 HydrophobicContact CB-CG2 3.48Å; P1481-T1521 VanDerWaalsContact CB-CG2 3.48Å; P1481-W1522 CarbonylContact C-O 3.47Å; P1481-I1523 HydrophobicContact CB-CG1 4.26Å | ||
| 1482 | A | 65.8 | Low | 63.4 | Low | 10 Ų | 10 | 48.2 Ų | 48.2 | 8% | 0.083 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 113.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | E1480 W1522 | E1480-A1482 PolarHBondContact O-N 2.85Å; E1480-A1482 VanDerWaalsContact O-N 3.15Å; A1482-W1522 HydrophobicContact CB-CD2 4.23Å; A1482-W1522 HydrophobicContact CB-CG 4.41Å; A1482-W1522 HydrophobicContact CB-CZ2 4.27Å; A1482-W1522 PolarHBondContact N-O 2.78Å; A1482-W1522 PolarHBondContact O-N 3.09Å |
| 1483 | A | 78.4 | Confident | 62.2 | Low | 43 Ų | 43 | 50.5 Ų | 50.5 | 36% | 0.355 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 143.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N1471 G1472 T1521 | N1471-A1483 PolarHBondContact N-O 2.71Å; G1472-A1483 PolarHBondContact N-O 2.91Å; A1483-T1521 HydrophobicContact CB-CG2 4.29Å |
| 1484 | F | 80.1 | Confident | 61.4 | Low | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.009 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 171.6 | 168.2 | 64.5 | -95.7 | 0 | 0 | 0 | 111.4 | Y1469 L1473 V1486 V1498 T1519 I1520 W1522 I1532 I1534 | Y1469-F1484 CarbonylContact O-C 3.54Å; L1473-F1484 HydrophobicContact CD1-CB 4.34Å; L1473-F1484 HydrophobicContact CD2-CB 4.1Å; L1473-F1484 HydrophobicContact CD2-CD1 3.75Å; L1473-F1484 HydrophobicContact CD2-CD2 3.58Å; L1473-F1484 HydrophobicContact CD2-CE1 3.94Å; L1473-F1484 HydrophobicContact CD2-CE2 3.79Å; L1473-F1484 HydrophobicContact CD2-CG 3.55Å; L1473-F1484 HydrophobicContact CD2-CZ 3.96Å; L1473-F1484 HydrophobicContact CG-CB 3.7Å; L1473-F1484 HydrophobicContact CG-CD1 4.14Å; L1473-F1484 HydrophobicContact CG-CD2 4.11Å; L1473-F1484 HydrophobicContact CG-CG 3.75Å; F1484-V1486 HydrophobicContact CD2-CG2 4.18Å; F1484-V1486 HydrophobicContact CE2-CG2 3.87Å; F1484-V1498 HydrophobicContact CZ-CG1 4.19Å; F1484-T1519 CarbonylContact O-C 3.5Å; F1484-T1519 WeakPolarHBondContact O-CA 3.47Å; F1484-I1520 HydrophobicContact CD2-CB 4.1Å; F1484-I1520 HydrophobicContact CE1-CB 4.25Å; F1484-I1520 HydrophobicContact CE1-CG2 3.96Å; F1484-I1520 HydrophobicContact CE2-CB 3.67Å; F1484-I1520 HydrophobicContact CE2-CD1 4.03Å; F1484-I1520 HydrophobicContact CE2-CG1 4.25Å; F1484-I1520 HydrophobicContact CE2-CG2 4.03Å; F1484-I1520 HydrophobicContact CZ-CB 3.77Å; F1484-I1520 HydrophobicContact CZ-CD1 4.39Å; F1484-I1520 HydrophobicContact CZ-CG2 3.59Å; F1484-I1520 PolarHBondContact N-O 3.04Å; F1484-I1520 PolarHBondContact O-N 3.23Å; F1484-I1520 VanDerWaalsContact O-O 3.07Å; F1484-W1522 AromaticContact CE1-CD1 3.77Å; F1484-W1522 AromaticContact CE1-NE1 3.97Å; F1484-I1532 HydrophobicContact CE1-CG2 3.99Å; F1484-I1532 HydrophobicContact CZ-CG2 3.84Å; F1484-I1534 HydrophobicContact CD2-CD1 4.28Å; F1484-I1534 HydrophobicContact CE2-CD1 3.46Å; F1484-I1534 VanDerWaalsContact CE2-CD1 3.46Å; F1484-I1534 HydrophobicContact CZ-CD1 3.85Å |
| 1485 | T | 75.8 | Confident | 61.4 | Low | 23 Ų | 23 | 54.3 Ų | 54.3 | 14% | 0.141 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 133.1 | -179.5 | -54.6 | 0 | 0 | 0 | 0 | 110 | A1468 Y1469 C1518 | A1468-T1485 CarbonylContact C-O 3.58Å; A1468-T1485 WeakPolarHBondContact CA-O 3.29Å; Y1469-T1485 HydrophobicContact CE1-CG2 4.43Å; Y1469-T1485 HydrophobicContact CE2-CG2 4.47Å; Y1469-T1485 PolarHBondContact N-O 2.9Å; Y1469-T1485 PolarHBondContact O-N 2.62Å; T1485-C1518 CarbonylContact C-O 3.56Å; T1485-C1518 WeakPolarHBondContact CA-O 3.14Å |
| 1486 | V | 77.9 | Confident | 62.3 | Low | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 125.9 | 174.1 | -178.7 | 0 | 0 | 0 | 0 | 108.6 | V1466 T1467 A1468 F1484 V1488 L1496 T1517 C1518 I1520 I1534 | V1466-V1486 HydrophobicContact CG1-CG1 3.51Å; T1467-V1486 CarbonylContact O-C 3.52Å; T1467-V1486 WeakPolarHBondContact O-CA 3.28Å; A1468-V1486 HydrophobicContact CB-CG2 4.03Å; F1484-V1486 HydrophobicContact CD2-CG2 4.18Å; F1484-V1486 HydrophobicContact CE2-CG2 3.87Å; V1486-V1488 HydrophobicContact CG1-CG2 4.14Å; V1486-L1496 HydrophobicContact CB-CD2 4.05Å; V1486-L1496 HydrophobicContact CG1-CD1 3.9Å; V1486-L1496 HydrophobicContact CG1-CD2 4.01Å; V1486-L1496 HydrophobicContact CG2-CD1 4.5Å; V1486-L1496 HydrophobicContact CG2-CD2 4.35Å; V1486-T1517 CarbonylContact O-C 3.47Å; V1486-T1517 VanDerWaalsContact O-CA 3.23Å; V1486-T1517 WeakPolarHBondContact O-CA 3.2Å; V1486-T1517 WeakPolarHBondContact O-CB 3.33Å; V1486-C1518 PolarHBondContact N-O 2.96Å; V1486-C1518 PolarHBondContact O-N 3.08Å; V1486-I1520 HydrophobicContact CG2-CD1 3.97Å; V1486-I1534 HydrophobicContact CG2-CD1 4.26Å; V1486-I1534 HydrophobicContact CG2-CG2 4.27Å |
| 1487 | C | 70.7 | Confident | 62.8 | Low | 13 Ų | 13 | 57.1 Ų | 57.1 | 9% | 0.088 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 113.9 | -178.1 | -179.2 | 0 | 0 | 0 | 0 | 110 | V1466 T1467 Y1469 T1517 | V1466-C1487 WeakPolarHBondContact CA-O 3.41Å; T1467-C1487 PolarHBondContact N-O 3.36Å; T1467-C1487 PolarHBondContact O-N 3.36Å; Y1469-C1487 HydrophobicContact CE1-CB 4.18Å; C1487-T1517 HydrophobicContact CB-CG2 4.03Å |
| 1488 | V | 66.8 | Low | 64.1 | Low | 13 Ų | 13 | 56.6 Ų | 56.6 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | trans | -113 | 63.3 | -178.8 | -169.9 | 0 | 0 | 0 | 0 | 108.9 | V1466 V1486 Q1490 P1491 G1516 Y1536 | V1466-V1488 HydrophobicContact CG1-CG2 3.99Å; V1466-V1488 HydrophobicContact CG2-CB 4.48Å; V1466-V1488 HydrophobicContact CG2-CG1 4.08Å; V1466-V1488 HydrophobicContact CG2-CG2 4.32Å; V1486-V1488 HydrophobicContact CG1-CG2 4.14Å; V1488-Q1490 PolarHBondContact O-N 2.73Å; V1488-Q1490 VanDerWaalsContact O-N 3.16Å; V1488-P1491 HydrophobicContact CG1-CB 4.07Å; V1488-G1516 CarbonylContact C-O 3.58Å; V1488-G1516 WeakPolarHBondContact CA-O 3.04Å; V1488-G1516 PolarHBondContact N-O 2.86Å; V1488-Y1536 HydrophobicContact CG1-CD2 4.28Å; V1488-Y1536 HydrophobicContact CG1-CE1 4.38Å; V1488-Y1536 HydrophobicContact CG1-CE2 3.65Å; V1488-Y1536 HydrophobicContact CG2-CD2 4.44Å; V1488-Y1536 HydrophobicContact CG2-CE2 4.42Å | ||
| 1489 | K | 51.3 | Low | 65 | Low | 135 Ų | 135 | 61.6 Ų | 61.6 | 59% | 0.587 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -72.8 | 109.6 | 177.2 | -80.4 | 178.3 | -179.7 | -178.8 | 0 | 110 | ||
| 1490 | Q | 52.9 | Low | 66.3 | Low | 143 Ų | 143 | 60.3 Ų | 60.3 | 67% | 0.668 | 36% | 0.359 | S | S | * | . | S | Bend | trans | 75.3 | 83 | -165.6 | -55.6 | -178.6 | -45.4 | 0 | 0 | 112.9 | V1488 Q1492 | V1488-Q1490 PolarHBondContact O-N 2.73Å; V1488-Q1490 VanDerWaalsContact O-N 3.16Å; Q1490-Q1492 PolarHBondContact O-N 2.62Å; Q1490-Q1492 VanDerWaalsContact O-N 3.15Å |
| 1491 | P | 46.8 | Very low | 67 | Low | 100 Ų | 100 | 59 Ų | 59 | 65% | 0.649 | 35% | 0.352 | S | S | * | . | trans | -66.8 | 111.6 | 172.3 | 27.8 | -33.7 | 0 | 0 | 0 | 110.4 | V1488 G1493 Y1536 | V1488-P1491 HydrophobicContact CG1-CB 4.07Å; P1491-G1493 VanDerWaalsContact C-N 3.25Å; P1491-G1493 PolarHBondContact O-N 3.44Å; P1491-Y1536 WeakPolarHBondContact CA-OH 3.3Å | ||
| 1492 | Q | 48.2 | Very low | 67.2 | Low | 166 Ų | 166 | 56.6 Ų | 56.6 | 78% | 0.776 | 34% | 0.343 | S | S | * | . | trans | -84.7 | 3.2 | -178.1 | -60.6 | -169.3 | 5.5 | 0 | 0 | 113.5 | Q1490 Y1536 | Q1490-Q1492 PolarHBondContact O-N 2.62Å; Q1490-Q1492 VanDerWaalsContact O-N 3.15Å; Q1492-Y1536 PolarHBondContact N-OH 2.97Å | ||
| 1493 | G | 48 | Very low | 66.8 | Low | 48 Ų | 48 | 60 Ų | 60 | 50% | 0.495 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 90.3 | 154.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P1491 A1537 | P1491-G1493 VanDerWaalsContact C-N 3.25Å; P1491-G1493 PolarHBondContact O-N 3.44Å; G1493-A1537 WeakPolarHBondContact O-CB 3.3Å |
| 1494 | G | 53.1 | Low | 65.4 | Low | 50 Ų | 50 | 59.3 Ų | 59.3 | 52% | 0.515 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 94.7 | 144.8 | -166.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y1536 | G1494-Y1536 WeakPolarHBondContact O-CE2 3.29Š|
| 1495 | G | 60 | Low | 64.4 | Low | 54 Ų | 54 | 63.5 Ų | 63.5 | 56% | 0.557 | 38% | 0.377 | S | S | * | . | trans | -76.5 | 151.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y1536 A1537 | G1495-Y1536 WeakPolarHBondContact O-CA 3.02Å; G1495-A1537 PolarHBondContact O-N 3.02Å | ||
| 1496 | L | 75.5 | Confident | 63.5 | Low | 52 Ų | 52 | 62.8 Ų | 62.8 | 27% | 0.272 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 126.4 | 158.7 | 177 | 59.7 | 0 | 0 | 0 | 108.1 | V1486 C1518 I1520 I1534 Y1536 | V1486-L1496 HydrophobicContact CB-CD2 4.05Å; V1486-L1496 HydrophobicContact CG1-CD1 3.9Å; V1486-L1496 HydrophobicContact CG1-CD2 4.01Å; V1486-L1496 HydrophobicContact CG2-CD1 4.5Å; V1486-L1496 HydrophobicContact CG2-CD2 4.35Å; L1496-C1518 HydrophobicContact CD2-CB 4.06Å; L1496-I1520 HydrophobicContact CD2-CD1 4.22Å; L1496-I1534 HydrophobicContact CD1-CG2 3.86Å; L1496-Y1536 HydrophobicContact CB-CD2 4.25Å |
| 1497 | S | 75.1 | Confident | 62.9 | Low | 57 Ų | 57 | 63.9 Ų | 63.9 | 40% | 0.399 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 135.2 | 177.5 | 174.4 | 0 | 0 | 0 | 0 | 109.1 | I1534 Q1535 | S1497-I1534 WeakPolarHBondContact O-CA 3.44Å; S1497-Q1535 PolarHBondContact N-O 3.03Å; S1497-Q1535 PolarHBondContact O-N 3.48Å |
| 1498 | V | 84.2 | Confident | 63 | Low | 37 Ų | 37 | 65.9 Ų | 65.9 | 22% | 0.224 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 126.8 | 173.5 | 176 | 0 | 0 | 0 | 0 | 109.6 | F1484 I1500 V1508 I1520 I1532 H1533 I1534 | F1484-V1498 HydrophobicContact CZ-CG1 4.19Å; V1498-I1500 HydrophobicContact CG1-CG1 4.09Å; V1498-V1508 HydrophobicContact CG1-CG1 4.49Å; V1498-I1520 HydrophobicContact CB-CD1 4.33Å; V1498-I1520 HydrophobicContact CG2-CD1 3.46Å; V1498-I1520 VanDerWaalsContact CG2-CD1 3.46Å; V1498-I1532 HydrophobicContact CG1-CG2 4.22Å; V1498-H1533 VanDerWaalsContact CA-O 3.3Å; V1498-H1533 WeakPolarHBondContact CA-O 3.44Å; V1498-I1534 HydrophobicContact CG1-CG1 4.46Å; V1498-I1534 HydrophobicContact CG2-CB 4.36Å; V1498-I1534 HydrophobicContact CG2-CG1 3.99Å; V1498-I1534 HydrophobicContact CG2-CG2 4.06Å |
| 1499 | K | 79.3 | Confident | 63.3 | Low | 106 Ų | 106 | 70.6 Ų | 70.6 | 46% | 0.461 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 125.8 | 174.1 | 178.5 | -162.1 | 175 | -155.3 | 0 | 108 | E1501 H1533 | K1499-E1501 VanDerWaalsContact CE-OE1 3.31Å; K1499-E1501 WeakPolarHBondContact CE-OE1 3.12Å; K1499-E1501 IonicContact NZ-OE1 3.2Å; K1499-E1501 PolarHBondContact NZ-OE1 3.38Å; K1499-E1501 IonicContact NZ-OE2 2.87Å; K1499-E1501 PolarHBondContact NZ-OE2 3.4Å; K1499-H1533 HydrophobicContact CB-CB 4.27Å; K1499-H1533 PolarHBondContact N-O 3.33Å; K1499-H1533 PolarHBondContact O-N 2.93Å |
| 1500 | I | 81.9 | Confident | 64.1 | Low | 21 Ų | 21 | 68.1 Ų | 68.1 | 11% | 0.108 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 128.1 | 176.8 | -59 | -168.5 | 0 | 0 | 0 | 108.6 | V1498 A1506 V1508 W1522 Y1530 L1531 I1532 | V1498-I1500 HydrophobicContact CG1-CG1 4.09Å; I1500-A1506 HydrophobicContact CB-CB 4.47Å; I1500-A1506 HydrophobicContact CG2-CB 3.99Å; I1500-V1508 HydrophobicContact CB-CG2 4.24Å; I1500-V1508 HydrophobicContact CD1-CG1 4.39Å; I1500-V1508 HydrophobicContact CD1-CG2 3.76Å; I1500-V1508 HydrophobicContact CG1-CG2 3.98Å; I1500-W1522 HydrophobicContact CD1-CB 3.6Å; I1500-W1522 HydrophobicContact CD1-CD2 3.54Å; I1500-W1522 HydrophobicContact CD1-CE3 4.1Å; I1500-W1522 HydrophobicContact CD1-CG 3.31Å; I1500-W1522 HydrophobicContact CG2-CD2 4.42Å; I1500-W1522 HydrophobicContact CG2-CE3 4.02Å; I1500-W1522 HydrophobicContact CG2-CH2 4.48Å; I1500-W1522 HydrophobicContact CG2-CZ3 4.01Å; I1500-Y1530 HydrophobicContact CG2-CD1 3.75Å; I1500-L1531 WeakPolarHBondContact CA-O 3.32Å; I1500-I1532 HydrophobicContact CD1-CG1 4.11Å; I1500-I1532 HydrophobicContact CD1-CG2 4.31Å; I1500-I1532 HydrophobicContact CG1-CB 4.44Å; I1500-I1532 HydrophobicContact CG1-CG1 4.06Å; I1500-I1532 HydrophobicContact CG1-CG2 4.12Å; I1500-I1532 HydrophobicContact CG2-CG1 4.27Å |
| 1501 | E | 70.7 | Confident | 64.9 | Low | 81 Ų | 81 | 68.8 Ų | 68.8 | 38% | 0.379 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 119.5 | -164.9 | 179.1 | 154.4 | -116.9 | 0 | 0 | 109.7 | K1499 Y1530 L1531 H1533 | K1499-E1501 VanDerWaalsContact CE-OE1 3.31Å; K1499-E1501 WeakPolarHBondContact CE-OE1 3.12Å; K1499-E1501 IonicContact NZ-OE1 3.2Å; K1499-E1501 PolarHBondContact NZ-OE1 3.38Å; K1499-E1501 IonicContact NZ-OE2 2.87Å; K1499-E1501 PolarHBondContact NZ-OE2 3.4Å; E1501-Y1530 CarbonylContact O-C 3.56Å; E1501-Y1530 WeakPolarHBondContact O-CA 3.42Å; E1501-L1531 HydrophobicContact CB-CB 4.44Å; E1501-L1531 PolarHBondContact N-O 3.03Å; E1501-L1531 PolarHBondContact O-N 3.34Å; E1501-H1533 IonicContact OE2-CD2 2.79Å; E1501-H1533 IonicContact OE2-CE1 3.21Å; E1501-H1533 IonicContact OE2-NE2 2.76Å; E1501-H1533 PolarHBondContact OE2-NE2 3.13Å |
| 1502 | G | 68.4 | Low | 66.1 | Low | 35 Ų | 35 | 67.8 Ų | 67.8 | 36% | 0.361 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -177.9 | -170.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1504 | G1502-A1504 PolarHBondContact O-N 2.62Š|
| 1503 | P | 58.3 | Low | 66.9 | Low | 80 Ų | 80 | 62.5 Ų | 62.5 | 52% | 0.519 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -62.2 | -17.9 | -170.9 | 18.9 | -29.7 | 0 | 0 | 0 | 115.4 | P1527 E1529 Y1530 | P1503-P1527 WeakPolarHBondContact CG-O 2.95Å; P1503-E1529 VanDerWaalsContact CD-O 3.27Å; P1503-E1529 WeakPolarHBondContact CD-O 3.24Å; P1503-Y1530 HydrophobicContact CG-CD2 4.5Å; P1503-Y1530 HydrophobicContact CG-CE2 3.81Å |
| 1504 | A | 47.9 | Very low | 67.3 | Low | 29 Ų | 29 | 68.9 Ų | 68.9 | 24% | 0.24 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -142.1 | 152.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | G1502 A1506 P1525 A1526 Y1530 | G1502-A1504 PolarHBondContact O-N 2.62Å; A1504-A1506 PolarHBondContact O-N 2.71Å; A1504-P1525 HydrophobicContact CB-CB 3.93Å; A1504-P1525 HydrophobicContact CB-CG 3.8Å; A1504-A1526 HydrophobicContact CB-CB 3.7Å; A1504-Y1530 VanDerWaalsContact O-CE1 3.24Å; A1504-Y1530 WeakPolarHBondContact O-CE1 3.3Å |
| 1505 | K | 58.8 | Low | 67.7 | Low | 91 Ų | 91 | 71.5 Ų | 71.5 | 40% | 0.396 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -66 | 116.1 | 175.6 | 178.4 | -168.5 | 174.2 | -160.7 | 0 | 109.6 | P1525 E1744 | K1505-P1525 WeakPolarHBondContact O-CG 3.39Å; K1505-E1744 IonicContact NZ-OE1 2.65Å; K1505-E1744 PolarHBondContact NZ-OE1 3.07Å; K1505-E1744 IonicContact NZ-OE2 3.59Å; K1505-E1744 PolarHBondContact NZ-OE2 3.2Å |
| 1506 | A | 57.7 | Low | 67.4 | Low | 8 Ų | 8 | 70.4 Ų | 70.4 | 7% | 0.066 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 146.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | I1500 A1504 W1522 I1523 Y1530 | I1500-A1506 HydrophobicContact CB-CB 4.47Å; I1500-A1506 HydrophobicContact CG2-CB 3.99Å; A1504-A1506 PolarHBondContact O-N 2.71Å; A1506-W1522 HydrophobicContact CB-CE3 3.55Å; A1506-W1522 HydrophobicContact CB-CZ3 4.1Å; A1506-I1523 WeakPolarHBondContact CA-O 3.32Å; A1506-I1523 WeakPolarHBondContact CB-O 3.36Å; A1506-Y1530 HydrophobicContact CB-CE1 4.44Å |
| 1507 | D | 65.9 | Low | 67 | Low | 23 Ų | 23 | 68.2 Ų | 68.2 | 12% | 0.123 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 128.8 | 169.4 | -61.6 | -24.3 | 0 | 0 | 0 | 108.1 | W1522 I1523 K1909 D1912 | D1507-W1522 CarbonylContact O-C 3.57Å; D1507-W1522 WeakPolarHBondContact O-CA 3.36Å; D1507-W1522 WeakPolarHBondContact O-CB 3.46Å; D1507-I1523 PolarHBondContact N-O 2.92Å; D1507-I1523 PolarHBondContact O-N 2.92Å; D1507-K1909 IonicContact OD2-NZ 3.97Å; D1507-K1909 PolarHBondContact OD2-NZ 3.13Å; D1507-D1912 HydrophobicContact CB-CB 4.25Å |
| 1508 | V | 72 | Confident | 66.4 | Low | 54 Ų | 54 | 66.6 Ų | 66.6 | 33% | 0.327 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 122.6 | -171.7 | -171.8 | 0 | 0 | 0 | 0 | 111.1 | V1498 I1500 I1520 W1522 | V1498-V1508 HydrophobicContact CG1-CG1 4.49Å; I1500-V1508 HydrophobicContact CB-CG2 4.24Å; I1500-V1508 HydrophobicContact CD1-CG1 4.39Å; I1500-V1508 HydrophobicContact CD1-CG2 3.76Å; I1500-V1508 HydrophobicContact CG1-CG2 3.98Å; V1508-I1520 HydrophobicContact CG1-CG2 3.7Å; V1508-W1522 HydrophobicContact CB-CB 4.46Å; V1508-W1522 HydrophobicContact CG1-CB 4.43Å; V1508-W1522 HydrophobicContact CG2-CB 4.03Å |
| 1509 | K | 72.8 | Confident | 66 | Low | 113 Ų | 113 | 66.5 Ų | 66.5 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 122.2 | -178.9 | -62.7 | -175.6 | 179.4 | -177.6 | 0 | 110.1 | I1520 T1521 | K1509-I1520 WeakPolarHBondContact O-CA 3.47Å; K1509-T1521 PolarHBondContact N-O 3.5Å; K1509-T1521 PolarHBondContact O-N 2.98Å |
| 1510 | C | 69.1 | Low | 66 | Low | 82 Ų | 82 | 61.6 Ų | 61.6 | 55% | 0.554 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 128.6 | 175.8 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | I1520 | C1510-I1520 HydrophobicContact CB-CD1 4.41Å; C1510-I1520 HydrophobicContact CB-CG1 4.06Å |
| 1511 | Y | 68.5 | Low | 65.7 | Low | 157 Ų | 157 | 62.7 Ų | 62.7 | 62% | 0.616 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 116.4 | 180 | 179.3 | -89.2 | 0 | 0 | 0 | 109.3 | N1513 C1518 T1519 | Y1511-N1513 VanDerWaalsContact CD1-OD1 3.31Å; Y1511-N1513 WeakPolarHBondContact CD1-OD1 3.37Å; Y1511-N1513 PolarHBondContact O-N 3.05Å; Y1511-C1518 CarbonylContact O-C 3.58Å; Y1511-C1518 VanDerWaalsContact O-CA 3.27Å; Y1511-C1518 WeakPolarHBondContact O-CA 3.4Å; Y1511-T1519 PolarHBondContact N-O 2.88Å; Y1511-T1519 PolarHBondContact O-N 2.7Å |
| 1512 | D | 72.8 | Confident | 66 | Low | 80 Ų | 80 | 58.9 Ų | 58.9 | 43% | 0.428 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 116 | 173.1 | 174 | 21 | 0 | 0 | 0 | 109.9 | K1514 | D1512-K1514 PolarHBondContact O-N 2.8Å; D1512-K1514 WeakPolarHBondContact OD1-CA 3.49Å; D1512-K1514 PolarHBondContact OD1-N 2.86Å; D1512-K1514 WeakPolarHBondContact OD2-CG 3.42Å |
| 1513 | N | 65.2 | Low | 66.2 | Low | 54 Ų | 54 | 60.3 Ų | 60.3 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | trans | -75.4 | -8.8 | 178.8 | -59.3 | -41.9 | 0 | 0 | 0 | 112.2 | Y1511 D1515 T1517 T1519 | Y1511-N1513 VanDerWaalsContact CD1-OD1 3.31Å; Y1511-N1513 WeakPolarHBondContact CD1-OD1 3.37Å; Y1511-N1513 PolarHBondContact O-N 3.05Å; N1513-D1515 WeakPolarHBondContact CB-OD1 2.96Å; N1513-D1515 PolarHBondContact O-N 3.06Å; N1513-D1515 VanDerWaalsContact O-N 3.16Å; N1513-T1517 VanDerWaalsContact CB-O 3.32Å; N1513-T1517 WeakPolarHBondContact CB-O 3.33Å; N1513-T1517 PolarHBondContact N-O 3.47Å; N1513-T1517 PolarHBondContact ND2-OG1 3.47Å; N1513-T1519 VanDerWaalsContact CG-OG1 3.32Å; N1513-T1519 PolarHBondContact ND2-N 2.95Å; N1513-T1519 PolarHBondContact ND2-OG1 3.41Å; N1513-T1519 PolarHBondContact OD1-OG1 3.08Å | ||
| 1514 | K | 55.5 | Low | 66.5 | Low | 182 Ų | 182 | 56.5 Ų | 56.5 | 79% | 0.791 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 61.8 | 12.7 | -178.8 | -58.3 | -172.3 | 178.6 | -175.5 | 0 | 115.7 | D1512 | D1512-K1514 PolarHBondContact O-N 2.8Å; D1512-K1514 WeakPolarHBondContact OD1-CA 3.49Å; D1512-K1514 PolarHBondContact OD1-N 2.86Å; D1512-K1514 WeakPolarHBondContact OD2-CG 3.42Å |
| 1515 | D | 61.5 | Low | 66.9 | Low | 106 Ų | 106 | 57.6 Ų | 57.6 | 57% | 0.567 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -103.9 | 5.7 | 174.5 | 72.5 | -18.4 | 0 | 0 | 0 | 113.3 | N1513 T1517 | N1513-D1515 WeakPolarHBondContact CB-OD1 2.96Å; N1513-D1515 PolarHBondContact O-N 3.06Å; N1513-D1515 VanDerWaalsContact O-N 3.16Å; D1515-T1517 WeakPolarHBondContact OD1-CA 3.48Å; D1515-T1517 VanDerWaalsContact OD1-CB 3.32Å; D1515-T1517 WeakPolarHBondContact OD1-CB 3.26Å; D1515-T1517 PolarHBondContact OD1-N 2.81Å; D1515-T1517 PolarHBondContact OD1-OG1 3.16Å; D1515-T1517 PolarHBondContact OD2-OG1 2.86Å |
| 1516 | G | 54.4 | Low | 66.6 | Low | 30 Ų | 30 | 54.2 Ų | 54.2 | 31% | 0.309 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 92.9 | 12.4 | -169 | 0 | 0 | 0 | 0 | 0 | 113.9 | V1488 | V1488-G1516 CarbonylContact C-O 3.58Å; V1488-G1516 WeakPolarHBondContact CA-O 3.04Å; V1488-G1516 PolarHBondContact N-O 2.86Å |
| 1517 | T | 66.2 | Low | 66.4 | Low | 6 Ų | 6 | 55.7 Ų | 55.7 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 154.6 | 174 | 75.6 | 0 | 0 | 0 | 0 | 112.2 | V1486 C1487 N1513 D1515 | V1486-T1517 CarbonylContact O-C 3.47Å; V1486-T1517 VanDerWaalsContact O-CA 3.23Å; V1486-T1517 WeakPolarHBondContact O-CA 3.2Å; V1486-T1517 WeakPolarHBondContact O-CB 3.33Å; C1487-T1517 HydrophobicContact CB-CG2 4.03Å; N1513-T1517 VanDerWaalsContact CB-O 3.32Å; N1513-T1517 WeakPolarHBondContact CB-O 3.33Å; N1513-T1517 PolarHBondContact N-O 3.47Å; N1513-T1517 PolarHBondContact ND2-OG1 3.47Å; D1515-T1517 WeakPolarHBondContact OD1-CA 3.48Å; D1515-T1517 VanDerWaalsContact OD1-CB 3.32Å; D1515-T1517 WeakPolarHBondContact OD1-CB 3.26Å; D1515-T1517 PolarHBondContact OD1-N 2.81Å; D1515-T1517 PolarHBondContact OD1-OG1 3.16Å; D1515-T1517 PolarHBondContact OD2-OG1 2.86Å |
| 1518 | C | 63.9 | Low | 65.7 | Low | 23 Ų | 23 | 56 Ų | 56 | 16% | 0.155 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 120 | 176.4 | -57.3 | 0 | 0 | 0 | 0 | 109.6 | T1485 V1486 L1496 Y1511 | T1485-C1518 CarbonylContact C-O 3.56Å; T1485-C1518 WeakPolarHBondContact CA-O 3.14Å; V1486-C1518 PolarHBondContact N-O 2.96Å; V1486-C1518 PolarHBondContact O-N 3.08Å; L1496-C1518 HydrophobicContact CD2-CB 4.06Å; Y1511-C1518 CarbonylContact O-C 3.58Å; Y1511-C1518 VanDerWaalsContact O-CA 3.27Å; Y1511-C1518 WeakPolarHBondContact O-CA 3.4Å |
| 1519 | T | 76.3 | Confident | 65.2 | Low | 35 Ų | 35 | 58.1 Ų | 58.1 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 126.1 | 172.5 | -56.8 | 0 | 0 | 0 | 0 | 109.1 | F1484 Y1511 N1513 | F1484-T1519 CarbonylContact O-C 3.5Å; F1484-T1519 WeakPolarHBondContact O-CA 3.47Å; Y1511-T1519 PolarHBondContact N-O 2.88Å; Y1511-T1519 PolarHBondContact O-N 2.7Å; N1513-T1519 VanDerWaalsContact CG-OG1 3.32Å; N1513-T1519 PolarHBondContact ND2-N 2.95Å; N1513-T1519 PolarHBondContact ND2-OG1 3.41Å; N1513-T1519 PolarHBondContact OD1-OG1 3.08Å |
| 1520 | I | 77.3 | Confident | 65.4 | Low | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.015 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 120.1 | 179.2 | -58.8 | -174.1 | 0 | 0 | 0 | 108.4 | F1484 V1486 L1496 V1498 V1508 K1509 C1510 | F1484-I1520 HydrophobicContact CD2-CB 4.1Å; F1484-I1520 HydrophobicContact CE1-CB 4.25Å; F1484-I1520 HydrophobicContact CE1-CG2 3.96Å; F1484-I1520 HydrophobicContact CE2-CB 3.67Å; F1484-I1520 HydrophobicContact CE2-CD1 4.03Å; F1484-I1520 HydrophobicContact CE2-CG1 4.25Å; F1484-I1520 HydrophobicContact CE2-CG2 4.03Å; F1484-I1520 HydrophobicContact CZ-CB 3.77Å; F1484-I1520 HydrophobicContact CZ-CD1 4.39Å; F1484-I1520 HydrophobicContact CZ-CG2 3.59Å; F1484-I1520 PolarHBondContact N-O 3.04Å; F1484-I1520 PolarHBondContact O-N 3.23Å; F1484-I1520 VanDerWaalsContact O-O 3.07Å; V1486-I1520 HydrophobicContact CG2-CD1 3.97Å; L1496-I1520 HydrophobicContact CD2-CD1 4.22Å; V1498-I1520 HydrophobicContact CB-CD1 4.33Å; V1498-I1520 HydrophobicContact CG2-CD1 3.46Å; V1498-I1520 VanDerWaalsContact CG2-CD1 3.46Å; V1508-I1520 HydrophobicContact CG1-CG2 3.7Å; K1509-I1520 WeakPolarHBondContact O-CA 3.47Å; C1510-I1520 HydrophobicContact CB-CD1 4.41Å; C1510-I1520 HydrophobicContact CB-CG1 4.06Å |
| 1521 | T | 75.9 | Confident | 66 | Low | 45 Ų | 45 | 51 Ų | 51 | 28% | 0.276 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 128.8 | -178.7 | -56.2 | 0 | 0 | 0 | 0 | 108.5 | P1481 A1483 K1509 | P1481-T1521 HydrophobicContact CB-CG2 3.48Å; P1481-T1521 VanDerWaalsContact CB-CG2 3.48Å; A1483-T1521 HydrophobicContact CB-CG2 4.29Å; K1509-T1521 PolarHBondContact N-O 3.5Å; K1509-T1521 PolarHBondContact O-N 2.98Å |
| 1522 | W | 77.9 | Confident | 66.7 | Low | 1 Ų | 1 | 43.5 Ų | 43.5 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 148.7 | 178.3 | 65.2 | -78.1 | 0 | 0 | 0 | 111.9 | G1472 P1481 A1482 F1484 I1500 A1506 D1507 V1508 P1524 Y1530 I1532 A1548 V1550 | G1472-W1522 PolarHBondContact O-NE1 3.06Å; P1481-W1522 CarbonylContact C-O 3.47Å; A1482-W1522 HydrophobicContact CB-CD2 4.23Å; A1482-W1522 HydrophobicContact CB-CG 4.41Å; A1482-W1522 HydrophobicContact CB-CZ2 4.27Å; A1482-W1522 PolarHBondContact N-O 2.78Å; A1482-W1522 PolarHBondContact O-N 3.09Å; F1484-W1522 AromaticContact CE1-CD1 3.77Å; F1484-W1522 AromaticContact CE1-NE1 3.97Å; I1500-W1522 HydrophobicContact CD1-CB 3.6Å; I1500-W1522 HydrophobicContact CD1-CD2 3.54Å; I1500-W1522 HydrophobicContact CD1-CE3 4.1Å; I1500-W1522 HydrophobicContact CD1-CG 3.31Å; I1500-W1522 HydrophobicContact CG2-CD2 4.42Å; I1500-W1522 HydrophobicContact CG2-CE3 4.02Å; I1500-W1522 HydrophobicContact CG2-CH2 4.48Å; I1500-W1522 HydrophobicContact CG2-CZ3 4.01Å; A1506-W1522 HydrophobicContact CB-CE3 3.55Å; A1506-W1522 HydrophobicContact CB-CZ3 4.1Å; D1507-W1522 CarbonylContact O-C 3.57Å; D1507-W1522 WeakPolarHBondContact O-CA 3.36Å; D1507-W1522 WeakPolarHBondContact O-CB 3.46Å; V1508-W1522 HydrophobicContact CB-CB 4.46Å; V1508-W1522 HydrophobicContact CG1-CB 4.43Å; V1508-W1522 HydrophobicContact CG2-CB 4.03Å; W1522-P1524 HydrophobicContact CE3-CB 4.18Å; W1522-P1524 HydrophobicContact CE3-CG 3.84Å; W1522-P1524 HydrophobicContact CH2-CB 4.36Å; W1522-P1524 HydrophobicContact CH2-CG 3.98Å; W1522-P1524 HydrophobicContact CZ3-CB 3.64Å; W1522-P1524 HydrophobicContact CZ3-CG 3.52Å; W1522-Y1530 AromaticContact CH2-CD1 3.99Å; W1522-Y1530 HydrophobicContact CH2-CD1 3.99Å; W1522-Y1530 HydrophobicContact CH2-CD2 4.2Å; W1522-Y1530 AromaticContact CH2-CG 3.73Å; W1522-Y1530 HydrophobicContact CH2-CG 3.73Å; W1522-Y1530 AromaticContact CZ3-CD1 3.62Å; W1522-Y1530 HydrophobicContact CZ3-CD1 3.62Å; W1522-Y1530 HydrophobicContact CZ3-CD2 4.38Å; W1522-Y1530 AromaticContact CZ3-CE1 3.93Å; W1522-Y1530 HydrophobicContact CZ3-CE1 3.93Å; W1522-Y1530 AromaticContact CZ3-CG 3.85Å; W1522-Y1530 HydrophobicContact CZ3-CG 3.85Å; W1522-I1532 HydrophobicContact CZ2-CD1 3.69Å; W1522-I1532 HydrophobicContact CZ2-CG1 4.43Å; W1522-A1548 HydrophobicContact CH2-CB 4.05Å; W1522-A1548 HydrophobicContact CZ2-CB 3.66Å; W1522-V1550 HydrophobicContact CH2-CG2 3.56Å; W1522-V1550 HydrophobicContact CZ2-CG2 4.47Å; W1522-V1550 HydrophobicContact CZ3-CG2 4.15Å |
| 1523 | I | 72 | Confident | 67.2 | Low | 64 Ų | 64 | 42.1 Ų | 42.1 | 33% | 0.328 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 115 | 177.2 | -59.4 | 173.7 | 0 | 0 | 0 | 108.1 | P1481 A1506 D1507 | P1481-I1523 HydrophobicContact CB-CG1 4.26Å; A1506-I1523 WeakPolarHBondContact CA-O 3.32Å; A1506-I1523 WeakPolarHBondContact CB-O 3.36Å; D1507-I1523 PolarHBondContact N-O 2.92Å; D1507-I1523 PolarHBondContact O-N 2.92Å |
| 1524 | P | 66.1 | Low | 68.1 | Low | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -71.7 | 137.3 | 171.9 | -5 | 19 | 0 | 0 | 0 | 110.6 | A1478 G1479 E1480 W1522 Y1530 V1550 | A1478-P1524 CarbonylContact C-O 3.6Å; A1478-P1524 WeakPolarHBondContact CA-O 3.26Å; A1478-P1524 HydrophobicContact CB-CB 4.18Å; A1478-P1524 WeakPolarHBondContact CB-O 3.33Å; G1479-P1524 PolarHBondContact N-O 2.79Å; E1480-P1524 WeakPolarHBondContact O-CD 3.4Å; W1522-P1524 HydrophobicContact CE3-CB 4.18Å; W1522-P1524 HydrophobicContact CE3-CG 3.84Å; W1522-P1524 HydrophobicContact CH2-CB 4.36Å; W1522-P1524 HydrophobicContact CH2-CG 3.98Å; W1522-P1524 HydrophobicContact CZ3-CB 3.64Å; W1522-P1524 HydrophobicContact CZ3-CG 3.52Å; P1524-Y1530 HydrophobicContact CB-CE2 4.43Å; P1524-V1550 HydrophobicContact CB-CB 4.32Å; P1524-V1550 HydrophobicContact CB-CG1 3.53Å; P1524-V1550 HydrophobicContact CB-CG2 3.88Å; P1524-V1550 HydrophobicContact CG-CG1 3.84Å; P1524-V1550 HydrophobicContact CG-CG2 3.85Å | ||
| 1525 | P | 56.1 | Low | 69.2 | Low | 53 Ų | 53 | 34.7 Ų | 34.7 | 34% | 0.344 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -96.7 | -6.7 | 173.3 | -0.9 | 19.6 | 0 | 0 | 0 | 114.9 | A1504 K1505 Y1530 G1554 | A1504-P1525 HydrophobicContact CB-CB 3.93Å; A1504-P1525 HydrophobicContact CB-CG 3.8Å; K1505-P1525 WeakPolarHBondContact O-CG 3.39Å; P1525-Y1530 WeakPolarHBondContact CD-OH 3.23Å; P1525-G1554 WeakPolarHBondContact O-CA 3.41Å; P1525-G1554 PolarHBondContact O-N 3.21Å |
| 1526 | A | 50.8 | Low | 69.6 | Low | 19 Ų | 19 | 31.2 Ų | 31.2 | 16% | 0.157 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -153.4 | 160.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1504 Y1530 V1550 | A1504-A1526 HydrophobicContact CB-CB 3.7Å; A1526-Y1530 PolarHBondContact N-OH 2.77Å; A1526-Y1530 VanDerWaalsContact O-CE2 3.25Å; A1526-Y1530 WeakPolarHBondContact O-CE2 3.45Å; A1526-Y1530 PolarHBondContact O-OH 2.87Å; A1526-V1550 WeakPolarHBondContact O-CG1 3.45Å |
| 1527 | P | 54.3 | Low | 70.2 | Confident | 39 Ų | 39 | 32 Ų | 32 | 25% | 0.253 | 19% | 0.186 | S | C | . | . | trans | -85.1 | 161.9 | 179 | 28.7 | -15.1 | 0 | 0 | 0 | 111.6 | P1503 V1550 G1552 E1553 | P1503-P1527 WeakPolarHBondContact CG-O 2.95Å; P1527-V1550 WeakPolarHBondContact CA-O 3.48Å; P1527-G1552 WeakPolarHBondContact CA-O 3.46Å; P1527-G1552 VanDerWaalsContact CB-O 3.26Å; P1527-G1552 WeakPolarHBondContact CB-O 3.43Å; P1527-E1553 HydrophobicContact CG-CG 4.11Å; P1527-E1553 WeakPolarHBondContact CG-OE1 3.37Å | ||
| 1528 | G | 50.5 | Low | 70.1 | Confident | 31 Ų | 31 | 34.4 Ų | 34.4 | 32% | 0.32 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 127.3 | -171.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1550 | G1528-V1550 PolarHBondContact N-O 2.83Å; G1528-V1550 PolarHBondContact O-N 2.74Å |
| 1529 | E | 63 | Low | 70.2 | Confident | 97 Ų | 97 | 38.9 Ų | 38.9 | 45% | 0.453 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 136.7 | 173.7 | -66.9 | -161.3 | 170 | 0 | 0 | 111.3 | P1503 R1547 | P1503-E1529 VanDerWaalsContact CD-O 3.27Å; P1503-E1529 WeakPolarHBondContact CD-O 3.24Å; E1529-R1547 IonicContact OE2-CZ 2.71Å; E1529-R1547 IonicContact OE2-NH1 3.74Å; E1529-R1547 PolarHBondContact OE2-NH1 3Å |
| 1530 | Y | 75.9 | Confident | 69.8 | Low | 1 Ų | 1 | 40.1 Ų | 40.1 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 134.8 | 170.4 | -74.8 | -108.8 | 0 | 0 | 0 | 109.2 | I1500 E1501 P1503 A1504 A1506 W1522 P1524 P1525 A1526 R1547 A1548 V1550 | I1500-Y1530 HydrophobicContact CG2-CD1 3.75Å; E1501-Y1530 CarbonylContact O-C 3.56Å; E1501-Y1530 WeakPolarHBondContact O-CA 3.42Å; P1503-Y1530 HydrophobicContact CG-CD2 4.5Å; P1503-Y1530 HydrophobicContact CG-CE2 3.81Å; A1504-Y1530 VanDerWaalsContact O-CE1 3.24Å; A1504-Y1530 WeakPolarHBondContact O-CE1 3.3Å; A1506-Y1530 HydrophobicContact CB-CE1 4.44Å; W1522-Y1530 AromaticContact CH2-CD1 3.99Å; W1522-Y1530 HydrophobicContact CH2-CD1 3.99Å; W1522-Y1530 HydrophobicContact CH2-CD2 4.2Å; W1522-Y1530 AromaticContact CH2-CG 3.73Å; W1522-Y1530 HydrophobicContact CH2-CG 3.73Å; W1522-Y1530 AromaticContact CZ3-CD1 3.62Å; W1522-Y1530 HydrophobicContact CZ3-CD1 3.62Å; W1522-Y1530 HydrophobicContact CZ3-CD2 4.38Å; W1522-Y1530 AromaticContact CZ3-CE1 3.93Å; W1522-Y1530 HydrophobicContact CZ3-CE1 3.93Å; W1522-Y1530 AromaticContact CZ3-CG 3.85Å; W1522-Y1530 HydrophobicContact CZ3-CG 3.85Å; P1524-Y1530 HydrophobicContact CB-CE2 4.43Å; P1525-Y1530 WeakPolarHBondContact CD-OH 3.23Å; A1526-Y1530 PolarHBondContact N-OH 2.77Å; A1526-Y1530 VanDerWaalsContact O-CE2 3.25Å; A1526-Y1530 WeakPolarHBondContact O-CE2 3.45Å; A1526-Y1530 PolarHBondContact O-OH 2.87Å; Y1530-R1547 CarbonylContact O-C 3.59Å; Y1530-R1547 WeakPolarHBondContact O-CA 3.29Å; Y1530-A1548 PolarHBondContact N-O 2.87Å; Y1530-A1548 PolarHBondContact O-N 3.18Å; Y1530-V1550 HydrophobicContact CD2-CB 3.84Å; Y1530-V1550 HydrophobicContact CD2-CG2 3.35Å; Y1530-V1550 HydrophobicContact CE2-CB 3.74Å; Y1530-V1550 HydrophobicContact CE2-CG1 4.26Å; Y1530-V1550 HydrophobicContact CE2-CG2 3.6Å; Y1530-V1550 HydrophobicContact CG-CG2 4.15Å |
| 1531 | L | 81.3 | Confident | 69.8 | Low | 45 Ų | 45 | 40.8 Ų | 40.8 | 24% | 0.236 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 119.3 | 171.8 | -69.6 | 168.9 | 0 | 0 | 0 | 109.1 | I1500 E1501 P1545 R1547 | I1500-L1531 WeakPolarHBondContact CA-O 3.32Å; E1501-L1531 HydrophobicContact CB-CB 4.44Å; E1501-L1531 PolarHBondContact N-O 3.03Å; E1501-L1531 PolarHBondContact O-N 3.34Å; L1531-P1545 HydrophobicContact CB-CB 4.17Å; L1531-P1545 HydrophobicContact CD2-CB 4.1Å; L1531-P1545 HydrophobicContact CD2-CG 4.1Å; L1531-R1547 HydrophobicContact CD2-CG 3.59Å |
| 1532 | I | 83.6 | Confident | 69.3 | Low | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 93.9 | -179.3 | -58.3 | 166.5 | 0 | 0 | 0 | 107.1 | G1472 L1473 F1484 V1498 I1500 W1522 I1534 P1545 F1546 A1548 | G1472-I1532 WeakPolarHBondContact O-CD1 3.44Å; L1473-I1532 HydrophobicContact CD2-CG2 4.28Å; F1484-I1532 HydrophobicContact CE1-CG2 3.99Å; F1484-I1532 HydrophobicContact CZ-CG2 3.84Å; V1498-I1532 HydrophobicContact CG1-CG2 4.22Å; I1500-I1532 HydrophobicContact CD1-CG1 4.11Å; I1500-I1532 HydrophobicContact CD1-CG2 4.31Å; I1500-I1532 HydrophobicContact CG1-CB 4.44Å; I1500-I1532 HydrophobicContact CG1-CG1 4.06Å; I1500-I1532 HydrophobicContact CG1-CG2 4.12Å; I1500-I1532 HydrophobicContact CG2-CG1 4.27Å; W1522-I1532 HydrophobicContact CZ2-CD1 3.69Å; W1522-I1532 HydrophobicContact CZ2-CG1 4.43Å; I1532-I1534 HydrophobicContact CG2-CD1 4.13Å; I1532-I1534 HydrophobicContact CG2-CG1 3.94Å; I1532-P1545 WeakPolarHBondContact O-CA 3.3Å; I1532-F1546 HydrophobicContact CB-CB 4.33Å; I1532-F1546 PolarHBondContact N-O 2.8Å; I1532-F1546 PolarHBondContact O-N 3.05Å; I1532-A1548 HydrophobicContact CD1-CB 3.71Å |
| 1533 | H | 84.5 | Confident | 68.7 | Low | 50 Ų | 50 | 45 Ų | 45 | 23% | 0.231 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 127.5 | 173.6 | -55.2 | -100.3 | 0 | 0 | 0 | 108.7 | V1498 K1499 E1501 S1544 | V1498-H1533 VanDerWaalsContact CA-O 3.3Å; V1498-H1533 WeakPolarHBondContact CA-O 3.44Å; K1499-H1533 HydrophobicContact CB-CB 4.27Å; K1499-H1533 PolarHBondContact N-O 3.33Å; K1499-H1533 PolarHBondContact O-N 2.93Å; E1501-H1533 IonicContact OE2-CD2 2.79Å; E1501-H1533 IonicContact OE2-CE1 3.21Å; E1501-H1533 IonicContact OE2-NE2 2.76Å; E1501-H1533 PolarHBondContact OE2-NE2 3.13Å; H1533-S1544 WeakPolarHBondContact CA-OG 3.14Å |
| 1534 | I | 83.6 | Confident | 68.6 | Low | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 118.4 | 175.5 | -53.3 | -177 | 0 | 0 | 0 | 108 | A1468 L1473 F1484 V1486 L1496 S1497 V1498 I1532 I1541 S1544 F1546 | A1468-I1534 HydrophobicContact CB-CD1 3.77Å; L1473-I1534 HydrophobicContact CD2-CD1 3.7Å; F1484-I1534 HydrophobicContact CD2-CD1 4.28Å; F1484-I1534 HydrophobicContact CE2-CD1 3.46Å; F1484-I1534 VanDerWaalsContact CE2-CD1 3.46Å; F1484-I1534 HydrophobicContact CZ-CD1 3.85Å; V1486-I1534 HydrophobicContact CG2-CD1 4.26Å; V1486-I1534 HydrophobicContact CG2-CG2 4.27Å; L1496-I1534 HydrophobicContact CD1-CG2 3.86Å; S1497-I1534 WeakPolarHBondContact O-CA 3.44Å; V1498-I1534 HydrophobicContact CG1-CG1 4.46Å; V1498-I1534 HydrophobicContact CG2-CB 4.36Å; V1498-I1534 HydrophobicContact CG2-CG1 3.99Å; V1498-I1534 HydrophobicContact CG2-CG2 4.06Å; I1532-I1534 HydrophobicContact CG2-CD1 4.13Å; I1532-I1534 HydrophobicContact CG2-CG1 3.94Å; I1534-I1541 HydrophobicContact CB-CD1 3.91Å; I1534-I1541 HydrophobicContact CB-CG1 3.9Å; I1534-I1541 HydrophobicContact CD1-CD1 4.39Å; I1534-I1541 HydrophobicContact CG2-CD1 3.52Å; I1534-I1541 HydrophobicContact CG2-CG1 3.88Å; I1534-I1541 HydrophobicContact CG2-CG2 4.42Å; I1534-I1541 PolarHBondContact O-N 3.08Å; I1534-S1544 PolarHBondContact N-OG 2.96Å; I1534-S1544 WeakPolarHBondContact O-CB 3.33Å; I1534-S1544 PolarHBondContact O-OG 2.91Å; I1534-F1546 HydrophobicContact CB-CE2 4.41Å; I1534-F1546 HydrophobicContact CD1-CD2 3.94Å; I1534-F1546 HydrophobicContact CD1-CE2 3.77Å; I1534-F1546 HydrophobicContact CG1-CD2 4.23Å; I1534-F1546 HydrophobicContact CG1-CE2 4.18Å |
| 1535 | Q | 78.8 | Confident | 69.1 | Low | 81 Ų | 81 | 45.9 Ų | 45.9 | 38% | 0.379 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 142.9 | 177.1 | -67 | 176.7 | -18.5 | 0 | 0 | 110.6 | S1497 N1539 A1540 | S1497-Q1535 PolarHBondContact N-O 3.03Å; S1497-Q1535 PolarHBondContact O-N 3.48Å; Q1535-N1539 CarbonylContact C-O 3.44Å; Q1535-N1539 WeakPolarHBondContact CA-O 3.33Å; Q1535-N1539 WeakPolarHBondContact CB-O 3.44Å; Q1535-A1540 HydrophobicContact CG-CB 4.5Å |
| 1536 | Y | 69.8 | Low | 70 | Confident | 32 Ų | 32 | 43.9 Ų | 43.9 | 13% | 0.125 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 131.1 | 168.4 | -175.9 | -99.6 | 0 | 0 | 0 | 109.7 | V1466 V1488 P1491 Q1492 G1494 G1495 L1496 G1538 N1539 | V1466-Y1536 HydrophobicContact CG2-CD1 3.68Å; V1466-Y1536 HydrophobicContact CG2-CD2 4.32Å; V1466-Y1536 HydrophobicContact CG2-CE1 4.23Å; V1466-Y1536 HydrophobicContact CG2-CG 3.73Å; V1488-Y1536 HydrophobicContact CG1-CD2 4.28Å; V1488-Y1536 HydrophobicContact CG1-CE1 4.38Å; V1488-Y1536 HydrophobicContact CG1-CE2 3.65Å; V1488-Y1536 HydrophobicContact CG2-CD2 4.44Å; V1488-Y1536 HydrophobicContact CG2-CE2 4.42Å; P1491-Y1536 WeakPolarHBondContact CA-OH 3.3Å; Q1492-Y1536 PolarHBondContact N-OH 2.97Å; G1494-Y1536 WeakPolarHBondContact O-CE2 3.29Å; G1495-Y1536 WeakPolarHBondContact O-CA 3.02Å; L1496-Y1536 HydrophobicContact CB-CD2 4.25Å; Y1536-G1538 PolarHBondContact O-N 3.45Å; Y1536-G1538 VanDerWaalsContact O-N 3.15Å; Y1536-N1539 PolarHBondContact N-O 3.08Å; Y1536-N1539 PolarHBondContact O-N 2.82Å |
| 1537 | A | 66.1 | Low | 70.7 | Confident | 46 Ų | 46 | 49.4 Ų | 49.4 | 38% | 0.38 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 33.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | G1493 G1495 N1539 | G1493-A1537 WeakPolarHBondContact O-CB 3.3Å; G1495-A1537 PolarHBondContact O-N 3.02Å; A1537-N1539 VanDerWaalsContact C-N 3.3Å; A1537-N1539 PolarHBondContact O-N 2.75Å |
| 1538 | G | 65.6 | Low | 71.3 | Confident | 57 Ų | 57 | 47.5 Ų | 47.5 | 59% | 0.588 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | -12.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y1536 | Y1536-G1538 PolarHBondContact O-N 3.45Å; Y1536-G1538 VanDerWaalsContact O-N 3.15Å |
| 1539 | N | 64.2 | Low | 71.7 | Confident | 117 Ų | 117 | 48 Ų | 48 | 63% | 0.626 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 140.2 | 178.3 | -63.5 | -65.3 | 0 | 0 | 0 | 110.8 | Q1535 Y1536 A1537 | Q1535-N1539 CarbonylContact C-O 3.44Å; Q1535-N1539 WeakPolarHBondContact CA-O 3.33Å; Q1535-N1539 WeakPolarHBondContact CB-O 3.44Å; Y1536-N1539 PolarHBondContact N-O 3.08Å; Y1536-N1539 PolarHBondContact O-N 2.82Å; A1537-N1539 VanDerWaalsContact C-N 3.3Å; A1537-N1539 PolarHBondContact O-N 2.75Å |
| 1540 | A | 69.4 | Low | 71.6 | Confident | 62 Ų | 62 | 43.6 Ų | 43.6 | 51% | 0.512 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 141.2 | 171 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q1535 | Q1535-A1540 HydrophobicContact CG-CB 4.5Å |
| 1541 | I | 77.3 | Confident | 70.3 | Confident | 16 Ų | 16 | 44.7 Ų | 44.7 | 8% | 0.082 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -85.1 | 160.8 | 176.2 | 73.3 | 167.7 | 0 | 0 | 0 | 111.7 | V1466 A1468 I1534 G1543 S1544 F1546 | V1466-I1541 HydrophobicContact CB-CG2 3.95Å; V1466-I1541 HydrophobicContact CG1-CD1 4.47Å; V1466-I1541 HydrophobicContact CG1-CG2 3.88Å; A1468-I1541 HydrophobicContact CB-CD1 3.72Å; I1534-I1541 HydrophobicContact CB-CD1 3.91Å; I1534-I1541 HydrophobicContact CB-CG1 3.9Å; I1534-I1541 HydrophobicContact CD1-CD1 4.39Å; I1534-I1541 HydrophobicContact CG2-CD1 3.52Å; I1534-I1541 HydrophobicContact CG2-CG1 3.88Å; I1534-I1541 HydrophobicContact CG2-CG2 4.42Å; I1534-I1541 PolarHBondContact O-N 3.08Å; I1541-G1543 PolarHBondContact O-N 2.96Å; I1541-G1543 VanDerWaalsContact O-N 3.1Å; I1541-S1544 VanDerWaalsContact O-CB 3.29Å; I1541-S1544 WeakPolarHBondContact O-CB 3.26Å; I1541-S1544 PolarHBondContact O-N 2.88Å; I1541-F1546 HydrophobicContact CD1-CE2 4.18Å; I1541-F1546 HydrophobicContact CD1-CZ 4.32Å; I1541-F1546 HydrophobicContact CG1-CE2 4.18Å; I1541-F1546 HydrophobicContact CG1-CZ 4.43Å |
| 1542 | D | 64.3 | Low | 68.5 | Low | 103 Ų | 103 | 43 Ų | 43 | 55% | 0.551 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 116.1 | 175.8 | -86.2 | -2 | 0 | 0 | 0 | 111.8 | F1457 F1546 | F1457-D1542 HydrophobicContact CE1-CB 4.35Å; F1457-D1542 HydrophobicContact CZ-CB 4.5Å; D1542-F1546 VanDerWaalsContact O-CZ 3.29Å; D1542-F1546 WeakPolarHBondContact O-CZ 3.36Å |
| 1543 | G | 64.8 | Low | 66.5 | Low | 31 Ų | 31 | 45.6 Ų | 45.6 | 32% | 0.32 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99 | -7.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.4 | I1541 P1545 F1546 | I1541-G1543 PolarHBondContact O-N 2.96Å; I1541-G1543 VanDerWaalsContact O-N 3.1Å; G1543-P1545 CarbonylContact O-C 3.59Å; G1543-P1545 VanDerWaalsContact O-C 3.26Å; G1543-F1546 WeakPolarHBondContact O-CD1 3.15Å; G1543-F1546 WeakPolarHBondContact O-CG 3.14Å; G1543-F1546 PolarHBondContact O-N 3.19Å |
| 1544 | S | 71.7 | Confident | 64.6 | Low | 24 Ų | 24 | 44.5 Ų | 44.5 | 17% | 0.168 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 137.1 | 174.8 | 174.3 | 0 | 0 | 0 | 0 | 112.3 | H1533 I1534 I1541 | H1533-S1544 WeakPolarHBondContact CA-OG 3.14Å; I1534-S1544 PolarHBondContact N-OG 2.96Å; I1534-S1544 WeakPolarHBondContact O-CB 3.33Å; I1534-S1544 PolarHBondContact O-OG 2.91Å; I1541-S1544 VanDerWaalsContact O-CB 3.29Å; I1541-S1544 WeakPolarHBondContact O-CB 3.26Å; I1541-S1544 PolarHBondContact O-N 2.88Å |
| 1545 | P | 75.7 | Confident | 62.7 | Low | 59 Ų | 59 | 46.9 Ų | 46.9 | 38% | 0.383 | 28% | 0.283 | S | S | . | . | S | Bend | cis | -76.4 | 131.3 | -6 | 29.3 | -33.2 | 0 | 0 | 0 | 112.5 | L1531 I1532 G1543 | L1531-P1545 HydrophobicContact CB-CB 4.17Å; L1531-P1545 HydrophobicContact CD2-CB 4.1Å; L1531-P1545 HydrophobicContact CD2-CG 4.1Å; I1532-P1545 WeakPolarHBondContact O-CA 3.3Å; G1543-P1545 CarbonylContact O-C 3.59Å; G1543-P1545 VanDerWaalsContact O-C 3.26Å |
| 1546 | F | 75.5 | Confident | 61.5 | Low | 12 Ų | 12 | 46.8 Ų | 46.8 | 5% | 0.053 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 134 | 176 | -58 | -97.3 | 0 | 0 | 0 | 109.6 | F1457 A1468 L1473 I1532 I1534 I1541 D1542 G1543 | F1457-F1546 HydrophobicContact CB-CD1 4.39Å; F1457-F1546 HydrophobicContact CB-CE1 4.13Å; F1457-F1546 HydrophobicContact CD1-CE1 4.2Å; F1457-F1546 HydrophobicContact CG-CE1 4.31Å; A1468-F1546 HydrophobicContact CB-CE2 4.25Å; A1468-F1546 HydrophobicContact CB-CZ 4.08Å; L1473-F1546 HydrophobicContact CB-CB 4.12Å; L1473-F1546 HydrophobicContact CB-CD1 4.19Å; L1473-F1546 HydrophobicContact CB-CG 4.22Å; L1473-F1546 HydrophobicContact CD1-CD1 4.1Å; L1473-F1546 HydrophobicContact CD1-CE1 4.08Å; L1473-F1546 HydrophobicContact CD1-CG 4.46Å; L1473-F1546 HydrophobicContact CD1-CZ 4.42Å; L1473-F1546 HydrophobicContact CD2-CB 4.25Å; L1473-F1546 HydrophobicContact CD2-CD1 4.4Å; L1473-F1546 HydrophobicContact CD2-CD2 3.91Å; L1473-F1546 HydrophobicContact CD2-CE2 4.38Å; L1473-F1546 HydrophobicContact CD2-CG 3.94Å; L1473-F1546 HydrophobicContact CG-CD1 4.47Å; L1473-F1546 HydrophobicContact CG-CG 4.43Å; L1473-F1546 WeakPolarHBondContact O-CB 3.47Å; I1532-F1546 HydrophobicContact CB-CB 4.33Å; I1532-F1546 PolarHBondContact N-O 2.8Å; I1532-F1546 PolarHBondContact O-N 3.05Å; I1534-F1546 HydrophobicContact CB-CE2 4.41Å; I1534-F1546 HydrophobicContact CD1-CD2 3.94Å; I1534-F1546 HydrophobicContact CD1-CE2 3.77Å; I1534-F1546 HydrophobicContact CG1-CD2 4.23Å; I1534-F1546 HydrophobicContact CG1-CE2 4.18Å; I1541-F1546 HydrophobicContact CD1-CE2 4.18Å; I1541-F1546 HydrophobicContact CD1-CZ 4.32Å; I1541-F1546 HydrophobicContact CG1-CE2 4.18Å; I1541-F1546 HydrophobicContact CG1-CZ 4.43Å; D1542-F1546 VanDerWaalsContact O-CZ 3.29Å; D1542-F1546 WeakPolarHBondContact O-CZ 3.36Å; G1543-F1546 WeakPolarHBondContact O-CD1 3.15Å; G1543-F1546 WeakPolarHBondContact O-CG 3.14Å; G1543-F1546 PolarHBondContact O-N 3.19Å |
| 1547 | R | 65.9 | Low | 60.9 | Low | 134 Ų | 134 | 49.2 Ų | 49.2 | 51% | 0.506 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 110.1 | 174.8 | -76.1 | -179.5 | -167.2 | -96 | -7.9 | 110.7 | L1473 E1529 Y1530 L1531 | L1473-R1547 CarbonylContact O-C 3.54Å; E1529-R1547 IonicContact OE2-CZ 2.71Å; E1529-R1547 IonicContact OE2-NH1 3.74Å; E1529-R1547 PolarHBondContact OE2-NH1 3Å; Y1530-R1547 CarbonylContact O-C 3.59Å; Y1530-R1547 WeakPolarHBondContact O-CA 3.29Å; L1531-R1547 HydrophobicContact CD2-CG 3.59Å |
| 1548 | A | 66.8 | Low | 60.4 | Low | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 120.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S1474 W1522 Y1530 I1532 | S1474-A1548 VanDerWaalsContact C-CA 3.48Å; S1474-A1548 WeakPolarHBondContact O-CA 3.49Å; W1522-A1548 HydrophobicContact CH2-CB 4.05Å; W1522-A1548 HydrophobicContact CZ2-CB 3.66Å; Y1530-A1548 PolarHBondContact N-O 2.87Å; Y1530-A1548 PolarHBondContact O-N 3.18Å; I1532-A1548 HydrophobicContact CD1-CB 3.71Å |
| 1549 | T | 58.4 | Low | 60.7 | Low | 42 Ų | 42 | 50.2 Ų | 50.2 | 26% | 0.258 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 113.5 | 171.3 | -53.9 | 0 | 0 | 0 | 0 | 108.8 | S1474 F1475 G1476 | S1474-T1549 PolarHBondContact O-N 2.87Å; F1475-T1549 WeakPolarHBondContact CA-O 3.35Å; F1475-T1549 VanDerWaalsContact CD2-O 3.28Å; F1475-T1549 WeakPolarHBondContact CD2-O 3.12Å; G1476-T1549 PolarHBondContact N-O 2.91Å |
| 1550 | V | 59.6 | Low | 60.5 | Low | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.024 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 136.1 | 178 | 178.2 | 0 | 0 | 0 | 0 | 110.1 | G1476 A1478 W1522 P1524 A1526 P1527 G1528 Y1530 | G1476-V1550 VanDerWaalsContact O-CA 3.32Å; G1476-V1550 WeakPolarHBondContact O-CA 3.37Å; A1478-V1550 HydrophobicContact CB-CG1 4.01Å; W1522-V1550 HydrophobicContact CH2-CG2 3.56Å; W1522-V1550 HydrophobicContact CZ2-CG2 4.47Å; W1522-V1550 HydrophobicContact CZ3-CG2 4.15Å; P1524-V1550 HydrophobicContact CB-CB 4.32Å; P1524-V1550 HydrophobicContact CB-CG1 3.53Å; P1524-V1550 HydrophobicContact CB-CG2 3.88Å; P1524-V1550 HydrophobicContact CG-CG1 3.84Å; P1524-V1550 HydrophobicContact CG-CG2 3.85Å; A1526-V1550 WeakPolarHBondContact O-CG1 3.45Å; P1527-V1550 WeakPolarHBondContact CA-O 3.48Å; G1528-V1550 PolarHBondContact N-O 2.83Å; G1528-V1550 PolarHBondContact O-N 2.74Å; Y1530-V1550 HydrophobicContact CD2-CB 3.84Å; Y1530-V1550 HydrophobicContact CD2-CG2 3.35Å; Y1530-V1550 HydrophobicContact CE2-CB 3.74Å; Y1530-V1550 HydrophobicContact CE2-CG1 4.26Å; Y1530-V1550 HydrophobicContact CE2-CG2 3.6Å; Y1530-V1550 HydrophobicContact CG-CG2 4.15Å |
| 1551 | S | 50.5 | Low | 59.9 | Low | 24 Ų | 24 | 48.4 Ų | 48.4 | 17% | 0.168 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 145.2 | 177.2 | 63.6 | 0 | 0 | 0 | 0 | 113.5 | G1476 I1477 A1478 | G1476-S1551 PolarHBondContact O-N 2.54Å; I1477-S1551 WeakPolarHBondContact CA-O 3.49Å; A1478-S1551 PolarHBondContact N-O 3.14Å |
| 1552 | G | 42.3 | Very low | 58.9 | Low | 8 Ų | 8 | 49.3 Ų | 49.3 | 8% | 0.082 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 77.7 | 145.5 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A1478 P1527 | A1478-G1552 WeakPolarHBondContact CB-O 3.44Å; P1527-G1552 WeakPolarHBondContact CA-O 3.46Å; P1527-G1552 VanDerWaalsContact CB-O 3.26Å; P1527-G1552 WeakPolarHBondContact CB-O 3.43Å |
| 1553 | E | 42.7 | Very low | 58.4 | Low | 55 Ų | 55 | 47 Ų | 47 | 26% | 0.257 | 27% | 0.269 | S | S | . | . | trans | -63 | 162.8 | 162 | -74.2 | 71 | -158.1 | 0 | 0 | 111.9 | A1478 P1527 R1555 P1684 | A1478-E1553 VanDerWaalsContact CB-C 3.49Å; A1478-E1553 WeakPolarHBondContact CB-O 3.4Å; P1527-E1553 HydrophobicContact CG-CG 4.11Å; P1527-E1553 WeakPolarHBondContact CG-OE1 3.37Å; E1553-R1555 VanDerWaalsContact C-N 3.29Å; E1553-R1555 WeakPolarHBondContact O-CA 3.35Å; E1553-R1555 WeakPolarHBondContact O-CG 3.34Å; E1553-R1555 PolarHBondContact O-N 3.02Å; E1553-P1684 HydrophobicContact CB-CB 4.14Å; E1553-P1684 HydrophobicContact CB-CG 4.35Å; E1553-P1684 HydrophobicContact CG-CB 3.81Å; E1553-P1684 HydrophobicContact CG-CG 4.02Å; E1553-P1684 WeakPolarHBondContact OE2-CD 3.32Å; E1553-P1684 WeakPolarHBondContact OE2-CG 3.41Å | ||
| 1554 | G | 43.5 | Very low | 57.9 | Low | 28 Ų | 28 | 47.7 Ų | 47.7 | 29% | 0.289 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -60.9 | 92.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | P1525 K1556 | P1525-G1554 WeakPolarHBondContact O-CA 3.41Å; P1525-G1554 PolarHBondContact O-N 3.21Å; G1554-K1556 PolarHBondContact O-N 2.83Å |
| 1555 | R | 44.4 | Very low | 57 | Low | 49 Ų | 49 | 48.6 Ų | 48.6 | 19% | 0.185 | 27% | 0.273 | C | S | . | . | trans | -68.1 | 108.2 | -150.9 | -65.3 | -165.9 | 151.3 | 136.2 | -4.3 | 111.8 | E1553 R1557 E1682 G1683 V1710 | E1553-R1555 VanDerWaalsContact C-N 3.29Å; E1553-R1555 WeakPolarHBondContact O-CA 3.35Å; E1553-R1555 WeakPolarHBondContact O-CG 3.34Å; E1553-R1555 PolarHBondContact O-N 3.02Å; R1555-R1557 VanDerWaalsContact C-N 3.34Å; R1555-R1557 PolarHBondContact O-N 3.35Å; R1555-E1682 HydrophobicContact CB-CB 4.04Å; R1555-E1682 HydrophobicContact CB-CG 3.64Å; R1555-E1682 WeakPolarHBondContact CD-O 3.45Å; R1555-E1682 VanDerWaalsContact CD-OE1 3.27Å; R1555-E1682 WeakPolarHBondContact CD-OE1 3.19Å; R1555-E1682 PolarHBondContact NE-O 3.21Å; R1555-G1683 CarbonylContact C-O 3.53Å; R1555-G1683 WeakPolarHBondContact CA-O 3.32Å; R1555-V1710 PolarHBondContact NE-O 2.96Å; R1555-V1710 PolarHBondContact NH2-O 3.09Å | ||
| 1556 | K | 53 | Low | 56 | Low | 79 Ų | 79 | 46.4 Ų | 46.4 | 34% | 0.343 | 26% | 0.259 | S | S | . | . | trans | -69.5 | 89.3 | 176.7 | -69 | -175.5 | -179.1 | 169 | 0 | 109 | G1554 G1683 P1684 R1686 E1875 | G1554-K1556 PolarHBondContact O-N 2.83Å; K1556-G1683 PolarHBondContact N-O 2.57Å; K1556-P1684 WeakPolarHBondContact CD-O 3.44Å; K1556-R1686 HydrophobicContact CB-CB 3.99Å; K1556-R1686 WeakPolarHBondContact O-CA 3.33Å; K1556-E1875 IonicContact NZ-OE1 3.87Å; K1556-E1875 PolarHBondContact NZ-OE1 2.83Å; K1556-E1875 IonicContact NZ-OE2 2.91Å | ||
| 1557 | R | 56.7 | Low | 55.6 | Low | 84 Ų | 84 | 50.3 Ų | 50.3 | 32% | 0.317 | 28% | 0.277 | S | S | . | . | trans | -71.2 | 139.5 | -174.2 | -174.3 | 166.8 | 168.5 | 146.2 | -15.9 | 113.1 | R1555 Q1559 L1681 E1682 | R1555-R1557 VanDerWaalsContact C-N 3.34Å; R1555-R1557 PolarHBondContact O-N 3.35Å; R1557-Q1559 VanDerWaalsContact NE-OE1 3.08Å; R1557-L1681 WeakPolarHBondContact CA-O 3.45Å; R1557-E1682 HydrophobicContact CB-CG 3.69Å; R1557-E1682 WeakPolarHBondContact CD-OE2 3.49Å; R1557-E1682 HydrophobicContact CG-CG 3.85Å; R1557-E1682 IonicContact CZ-OE2 3.76Å; R1557-E1682 IonicContact NH1-OE2 2.69Å; R1557-E1682 PolarHBondContact NH1-OE2 2.91Å | ||
| 1558 | A | 56.4 | Low | 55.7 | Low | 9 Ų | 9 | 45.2 Ų | 45.2 | 7% | 0.074 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 152.9 | 156.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | S1680 L1681 R1686 C1687 I1689 | A1558-S1680 CarbonylContact O-C 3.59Å; A1558-S1680 WeakPolarHBondContact O-CA 3.4Å; A1558-S1680 WeakPolarHBondContact O-CB 3.32Å; A1558-L1681 PolarHBondContact N-O 2.93Å; A1558-L1681 PolarHBondContact O-N 2.72Å; A1558-R1686 HydrophobicContact CB-CG 4.33Å; A1558-C1687 WeakPolarHBondContact CB-O 3.31Å; A1558-I1689 HydrophobicContact CB-CD1 3.77Å; A1558-I1689 HydrophobicContact CB-CG1 3.85Å; A1558-I1689 WeakPolarHBondContact O-CD1 3.41Å |
| 1559 | Q | 72 | Confident | 56.1 | Low | 115 Ų | 115 | 47.9 Ų | 47.9 | 54% | 0.537 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 150.6 | 178.7 | 70.3 | -172.7 | 9.4 | 0 | 0 | 112.3 | R1557 V1679 | R1557-Q1559 VanDerWaalsContact NE-OE1 3.08Å; Q1559-V1679 CarbonylContact C-O 3.26Å; Q1559-V1679 VanDerWaalsContact CA-O 3.24Å; Q1559-V1679 WeakPolarHBondContact CA-O 3.34Å |
| 1560 | I | 58.9 | Low | 57 | Low | 42 Ų | 42 | 46.4 Ų | 46.4 | 22% | 0.215 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 155.3 | 173.8 | 54.2 | 166.6 | 0 | 0 | 0 | 109.4 | S1678 V1679 I1689 C1691 | I1560-S1678 WeakPolarHBondContact O-CA 3.49Å; I1560-V1679 HydrophobicContact CD1-CB 4.35Å; I1560-V1679 HydrophobicContact CG1-CB 3.92Å; I1560-V1679 PolarHBondContact N-O 3.43Å; I1560-V1679 PolarHBondContact O-N 2.67Å; I1560-I1689 HydrophobicContact CD1-CB 4.46Å; I1560-I1689 HydrophobicContact CD1-CG2 3.65Å; I1560-I1689 HydrophobicContact CG1-CB 4.48Å; I1560-I1689 HydrophobicContact CG1-CG2 3.97Å; I1560-I1689 HydrophobicContact CG2-CB 4.32Å; I1560-C1691 HydrophobicContact CD1-CB 3.41Å; I1560-C1691 VanDerWaalsContact CD1-CB 3.41Å |
| 1561 | S | 56.8 | Low | 57.6 | Low | 98 Ų | 98 | 56.4 Ų | 56.4 | 69% | 0.685 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 125.6 | 171.2 | -62.8 | 0 | 0 | 0 | 0 | 109.9 | L1677 S1678 | S1561-L1677 CarbonylContact C-O 3.55Å; S1561-L1677 WeakPolarHBondContact CA-O 3.41Å; S1561-S1678 WeakPolarHBondContact OG-CB 3.42Å |
| 1562 | V | 57 | Low | 58.4 | Low | 36 Ų | 36 | 56.2 Ų | 56.2 | 22% | 0.218 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 123.5 | 178.5 | -104.5 | 0 | 0 | 0 | 0 | 108.3 | L1677 | V1562-L1677 HydrophobicContact CG2-CB 4.03Å; V1562-L1677 HydrophobicContact CG2-CD2 3.85Å; V1562-L1677 HydrophobicContact CG2-CG 3.85Å; V1562-L1677 PolarHBondContact N-O 2.98Å; V1562-L1677 WeakPolarHBondContact O-CA 3.12Å; V1562-L1677 WeakPolarHBondContact O-CB 3.13Å; V1562-L1677 PolarHBondContact O-N 2.81Å; V1562-L1677 VanDerWaalsContact O-O 3.05Å |
| 1563 | G | 53.9 | Low | 59.4 | Low | 54 Ų | 54 | 62.2 Ų | 62.2 | 56% | 0.557 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 110.6 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | T1565 | G1563-T1565 VanDerWaalsContact C-N 3.25Å; G1563-T1565 PolarHBondContact O-N 3Å |
| 1564 | S | 54.1 | Low | 60.2 | Low | 45 Ų | 45 | 61.9 Ų | 61.9 | 32% | 0.315 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 78 | 160.6 | -64.6 | 0 | 0 | 0 | 0 | 109.7 | Y1674 G1675 | S1564-Y1674 CarbonylContact O-C 3.55Å; S1564-Y1674 WeakPolarHBondContact O-CA 3.22Å; S1564-Y1674 WeakPolarHBondContact O-CB 3.41Å; S1564-G1675 WeakPolarHBondContact CA-O 3.39Å; S1564-G1675 WeakPolarHBondContact CB-O 3.3Å; S1564-G1675 PolarHBondContact N-O 3.49Å; S1564-G1675 PolarHBondContact O-N 3.36Å |
| 1565 | T | 52.5 | Low | 61.1 | Low | 43 Ų | 43 | 68.5 Ų | 68.5 | 26% | 0.264 | 37% | 0.366 | S | S | . | . | trans | -78.1 | 150.8 | 174.6 | 59.3 | 0 | 0 | 0 | 0 | 111.6 | G1563 S1607 Y1674 | G1563-T1565 VanDerWaalsContact C-N 3.25Å; G1563-T1565 PolarHBondContact O-N 3Å; T1565-S1607 WeakPolarHBondContact CB-OG 3.4Å; T1565-S1607 WeakPolarHBondContact CG2-OG 3.35Å; T1565-S1607 PolarHBondContact OG1-OG 2.82Å; T1565-Y1674 WeakPolarHBondContact O-CD1 3.4Å | ||
| 1566 | S | 56 | Low | 62.1 | Low | 14 Ų | 14 | 69.6 Ų | 69.6 | 10% | 0.098 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 143.2 | 164.6 | 72 | 0 | 0 | 0 | 0 | 109.8 | S1607 F1608 | S1566-S1607 WeakPolarHBondContact O-CA 3.46Å; S1566-F1608 PolarHBondContact N-O 3.23Å; S1566-F1608 PolarHBondContact O-N 2.87Å; S1566-F1608 WeakPolarHBondContact OG-CD1 3.32Å; S1566-F1608 WeakPolarHBondContact OG-CE1 3.46Å; S1566-F1608 WeakPolarHBondContact OG-CZ 3.33Å; S1566-F1608 PolarHBondContact OG-O 3.2Å |
| 1567 | E | 66.3 | Low | 62.6 | Low | 93 Ų | 93 | 67.6 Ų | 67.6 | 44% | 0.435 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 118.9 | -176.7 | -58.9 | -163.4 | 155.4 | 0 | 0 | 111.6 | K1597 | E1567-K1597 WeakPolarHBondContact OE1-CE 3.44Å; E1567-K1597 IonicContact OE1-NZ 2.75Å; E1567-K1597 PolarHBondContact OE1-NZ 3.09Å; E1567-K1597 WeakPolarHBondContact OE2-CE 3.45Å; E1567-K1597 IonicContact OE2-NZ 3.8Å; E1567-K1597 PolarHBondContact OE2-NZ 3.11Å |
| 1568 | V | 67.2 | Low | 63 | Low | 28 Ų | 28 | 67.7 Ų | 67.7 | 17% | 0.17 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 119.9 | -179.4 | 179.4 | 0 | 0 | 0 | 0 | 110 | L1570 G1605 V1606 F1608 I1618 I1634 | V1568-L1570 HydrophobicContact CG1-CD2 3.69Å; V1568-L1570 HydrophobicContact CG1-CG 4.11Å; V1568-L1570 PolarHBondContact O-N 2.98Å; V1568-G1605 WeakPolarHBondContact O-CA 3.42Å; V1568-V1606 PolarHBondContact N-O 3.34Å; V1568-V1606 PolarHBondContact O-N 3.31Å; V1568-F1608 HydrophobicContact CG2-CD1 4.35Å; V1568-F1608 HydrophobicContact CG2-CE1 3.81Å; V1568-I1618 HydrophobicContact CB-CD1 3.94Å; V1568-I1618 HydrophobicContact CG1-CD1 3.95Å; V1568-I1618 HydrophobicContact CG2-CD1 4.04Å; V1568-I1634 HydrophobicContact CG1-CG2 3.78Å; V1568-I1634 HydrophobicContact CG2-CD1 3.92Å; V1568-I1634 HydrophobicContact CG2-CG2 4.16Å |
| 1569 | S | 76.4 | Confident | 63.7 | Low | 55 Ų | 55 | 71.4 Ų | 71.4 | 39% | 0.385 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 97.8 | 177.7 | 174.7 | 0 | 0 | 0 | 0 | 111.9 | N1601 N1603 | S1569-N1601 PolarHBondContact OG-ND2 3.16Å; S1569-N1603 WeakPolarHBondContact OG-CB 3.35Å; S1569-N1603 PolarHBondContact OG-ND2 3.44Å |
| 1570 | L | 76.2 | Confident | 63.7 | Low | 11 Ų | 11 | 66.5 Ų | 66.5 | 6% | 0.058 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 119.4 | 177.7 | -59.7 | -178.8 | 0 | 0 | 0 | 111.9 | V1568 I1572 N1603 L1604 V1606 I1618 V1620 F1632 | V1568-L1570 HydrophobicContact CG1-CD2 3.69Å; V1568-L1570 HydrophobicContact CG1-CG 4.11Å; V1568-L1570 PolarHBondContact O-N 2.98Å; L1570-I1572 HydrophobicContact CB-CD1 4.13Å; L1570-I1572 HydrophobicContact CB-CG1 4.26Å; L1570-I1572 PolarHBondContact O-N 3.38Å; L1570-N1603 WeakPolarHBondContact O-CB 3.21Å; L1570-L1604 PolarHBondContact N-O 2.74Å; L1570-L1604 PolarHBondContact O-N 2.67Å; L1570-V1606 HydrophobicContact CD1-CG2 3.59Å; L1570-V1606 HydrophobicContact CG-CG2 4.27Å; L1570-I1618 HydrophobicContact CD1-CD1 4.49Å; L1570-I1618 HydrophobicContact CD1-CG2 4.02Å; L1570-V1620 HydrophobicContact CD1-CG2 3.68Å; L1570-F1632 HydrophobicContact CD1-CB 4.49Å; L1570-F1632 HydrophobicContact CD1-CD2 3.64Å; L1570-F1632 HydrophobicContact CD1-CE2 4.03Å; L1570-F1632 HydrophobicContact CD1-CG 4.14Å; L1570-F1632 HydrophobicContact CD2-CB 3.73Å; L1570-F1632 HydrophobicContact CD2-CD1 4.08Å; L1570-F1632 HydrophobicContact CD2-CD2 4.11Å; L1570-F1632 HydrophobicContact CD2-CG 3.72Å; L1570-F1632 HydrophobicContact CG-CD2 4.42Å |
| 1571 | R | 72.4 | Confident | 64.2 | Low | 214 Ų | 214 | 67.1 Ų | 67.1 | 81% | 0.808 | 38% | 0.384 | S | S | * | . | trans | -70.2 | 95.8 | 173.3 | -99.7 | -177.8 | -71.4 | -139.6 | -1.3 | 110.5 | N1603 | R1571-N1603 WeakPolarHBondContact CA-OD1 3.38Å; R1571-N1603 WeakPolarHBondContact CG-OD1 3.43Å | ||
| 1572 | I | 68.3 | Low | 65.3 | Low | 21 Ų | 21 | 63 Ų | 63 | 11% | 0.108 | 36% | 0.356 | C | S | . | . | trans | -124.7 | 116.3 | 176.7 | -63.9 | 175.8 | 0 | 0 | 0 | 107.2 | L1570 D1574 L1604 V1620 L1627 F1632 | L1570-I1572 HydrophobicContact CB-CD1 4.13Å; L1570-I1572 HydrophobicContact CB-CG1 4.26Å; L1570-I1572 PolarHBondContact O-N 3.38Å; I1572-D1574 VanDerWaalsContact C-N 3.35Å; I1572-D1574 HydrophobicContact CG2-CB 4.27Å; I1572-D1574 PolarHBondContact O-N 3.43Å; I1572-L1604 HydrophobicContact CD1-CB 4.23Å; I1572-L1604 HydrophobicContact CD1-CD2 3.78Å; I1572-V1620 HydrophobicContact CD1-CB 4.11Å; I1572-V1620 HydrophobicContact CD1-CG1 3.85Å; I1572-V1620 HydrophobicContact CD1-CG2 4.07Å; I1572-L1627 HydrophobicContact CD1-CD1 4.26Å; I1572-L1627 HydrophobicContact CG2-CD1 3.66Å; I1572-F1632 HydrophobicContact CD1-CE2 4.03Å; I1572-F1632 HydrophobicContact CD1-CZ 4.12Å; I1572-F1632 HydrophobicContact CG1-CE2 4.45Å; I1572-F1632 HydrophobicContact CG1-CZ 4.05Å | ||
| 1573 | P | 63.3 | Low | 66 | Low | 134 Ų | 134 | 61.9 Ų | 61.9 | 87% | 0.87 | 35% | 0.35 | S | S | * | . | trans | -81.5 | 81.5 | -178.5 | 33 | -33.8 | 0 | 0 | 0 | 110.1 | ||||
| 1574 | D | 59.7 | Low | 67.3 | Low | 48 Ų | 48 | 59.8 Ų | 59.8 | 26% | 0.257 | 33% | 0.326 | S | S | . | . | trans | -141.9 | 129.9 | 175.6 | -132.3 | -40.1 | 0 | 0 | 0 | 110.1 | I1572 L1580 K1622 | I1572-D1574 VanDerWaalsContact C-N 3.35Å; I1572-D1574 HydrophobicContact CG2-CB 4.27Å; I1572-D1574 PolarHBondContact O-N 3.43Å; D1574-L1580 HydrophobicContact CB-CD1 4.48Å; D1574-K1622 IonicContact OD1-NZ 2.96Å; D1574-K1622 PolarHBondContact OD1-NZ 3.41Å; D1574-K1622 VanDerWaalsContact OD2-CD 3.28Å; D1574-K1622 WeakPolarHBondContact OD2-CD 3.44Å; D1574-K1622 WeakPolarHBondContact OD2-CE 3.21Å; D1574-K1622 IonicContact OD2-NZ 2.72Å; D1574-K1622 PolarHBondContact OD2-NZ 3.05Å | ||
| 1575 | E | 61.6 | Low | 68.4 | Low | 167 Ų | 167 | 61.8 Ų | 61.8 | 78% | 0.78 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -68.8 | -44.8 | -177 | -79.2 | -75 | 119.1 | 0 | 0 | 111.4 | K1598 | E1575-K1598 PolarHBondContact O-NZ 3.19Š|
| 1576 | D | 65.2 | Low | 69.5 | Low | 72 Ų | 72 | 60.7 Ų | 60.7 | 39% | 0.385 | 32% | 0.323 | S | S | . | . | trans | -99.8 | 109.5 | -175.6 | 178.1 | 15 | 0 | 0 | 0 | 111.3 | S1578 Q1579 | D1576-S1578 WeakPolarHBondContact OD1-CB 3.48Å; D1576-S1578 PolarHBondContact OD1-N 2.91Å; D1576-S1578 PolarHBondContact OD1-OG 2.78Å; D1576-S1578 PolarHBondContact OD2-OG 3.48Å; D1576-Q1579 WeakPolarHBondContact OD2-CG 3.39Å | ||
| 1577 | T | 64.7 | Low | 70.4 | Confident | 36 Ų | 36 | 63 Ų | 63 | 22% | 0.221 | 34% | 0.338 | C | S | . | . | trans | -82.2 | -9.3 | 176.9 | 53.6 | 0 | 0 | 0 | 0 | 113.8 | Q1579 L1580 K1598 L1604 | T1577-Q1579 VanDerWaalsContact C-N 3.3Å; T1577-Q1579 PolarHBondContact O-N 2.84Å; T1577-L1580 HydrophobicContact CG2-CD1 4.41Å; T1577-L1580 PolarHBondContact O-N 2.85Å; T1577-K1598 HydrophobicContact CG2-CB 4.02Å; T1577-K1598 HydrophobicContact CG2-CD 4.09Å; T1577-K1598 HydrophobicContact CG2-CG 4.02Å; T1577-L1604 HydrophobicContact CG2-CD1 3.83Å | ||
| 1578 | S | 64.5 | Low | 70.3 | Confident | 86 Ų | 86 | 62 Ų | 62 | 60% | 0.601 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -28.9 | -177.4 | 72.2 | 0 | 0 | 0 | 0 | 113.2 | D1576 L1580 | D1576-S1578 WeakPolarHBondContact OD1-CB 3.48Å; D1576-S1578 PolarHBondContact OD1-N 2.91Å; D1576-S1578 PolarHBondContact OD1-OG 2.78Å; D1576-S1578 PolarHBondContact OD2-OG 3.48Å; S1578-L1580 VanDerWaalsContact C-N 3.28Å; S1578-L1580 PolarHBondContact O-N 2.98Å |
| 1579 | Q | 70 | Confident | 70.2 | Confident | 88 Ų | 88 | 62.2 Ų | 62.2 | 41% | 0.411 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 3.6 | 178.9 | -53.9 | -55.1 | -33.3 | 0 | 0 | 113.9 | D1576 T1577 K1622 H1623 | D1576-Q1579 WeakPolarHBondContact OD2-CG 3.39Å; T1577-Q1579 VanDerWaalsContact C-N 3.3Å; T1577-Q1579 PolarHBondContact O-N 2.84Å; Q1579-K1622 HydrophobicContact CB-CG 4.14Å; Q1579-K1622 WeakPolarHBondContact O-CA 3.36Å; Q1579-H1623 PolarHBondContact OE1-NE2 3.15Å |
| 1580 | L | 73.6 | Confident | 69.5 | Low | 11 Ų | 11 | 62.6 Ų | 62.6 | 6% | 0.058 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 135.5 | -174.3 | -58.4 | -176.5 | 0 | 0 | 0 | 111.4 | D1574 T1577 S1578 T1596 L1604 K1622 L1627 | D1574-L1580 HydrophobicContact CB-CD1 4.48Å; T1577-L1580 HydrophobicContact CG2-CD1 4.41Å; T1577-L1580 PolarHBondContact O-N 2.85Å; S1578-L1580 VanDerWaalsContact C-N 3.28Å; S1578-L1580 PolarHBondContact O-N 2.98Å; L1580-T1596 PolarHBondContact O-OG1 3.29Å; L1580-L1604 HydrophobicContact CB-CD2 4.47Å; L1580-L1604 HydrophobicContact CD1-CD1 3.95Å; L1580-L1604 HydrophobicContact CD1-CD2 4.08Å; L1580-K1622 HydrophobicContact CD2-CB 3.65Å; L1580-K1622 HydrophobicContact CD2-CD 4.03Å; L1580-K1622 HydrophobicContact CD2-CG 3.8Å; L1580-L1627 HydrophobicContact CD2-CD1 3.89Å |
| 1581 | S | 69.1 | Low | 68.8 | Low | 55 Ų | 55 | 66.4 Ų | 66.4 | 39% | 0.385 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 143.4 | 177 | 56.7 | 0 | 0 | 0 | 0 | 110.5 | V1620 K1621 | S1581-V1620 CarbonylContact O-C 3.54Å; S1581-V1620 WeakPolarHBondContact O-CA 3.45Å; S1581-K1621 PolarHBondContact N-O 2.79Å; S1581-K1621 PolarHBondContact O-N 2.68Å; S1581-K1621 PolarHBondContact OG-O 2.94Å |
| 1582 | A | 78.6 | Confident | 68.1 | Low | 11 Ų | 11 | 59.1 Ų | 59.1 | 9% | 0.091 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 146.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | C1594 T1596 V1606 I1618 T1619 V1620 | A1582-C1594 HydrophobicContact CB-CB 4.13Å; A1582-C1594 PolarHBondContact O-N 2.84Å; A1582-T1596 HydrophobicContact CB-CG2 3.57Å; A1582-V1606 HydrophobicContact CB-CG1 3.96Å; A1582-V1606 HydrophobicContact CB-CG2 4.16Å; A1582-I1618 HydrophobicContact CB-CG2 4.35Å; A1582-T1619 CarbonylContact C-O 3.57Å; A1582-T1619 VanDerWaalsContact CA-O 3.28Å; A1582-T1619 WeakPolarHBondContact CA-O 3.36Å; A1582-V1620 HydrophobicContact CB-CG2 4.36Å |
| 1583 | S | 73.4 | Confident | 67.9 | Low | 14 Ų | 14 | 61 Ų | 61 | 10% | 0.098 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 145.8 | 163.3 | 53.5 | 0 | 0 | 0 | 0 | 110.1 | E1591 E1592 I1618 T1619 | S1583-E1591 WeakPolarHBondContact CB-OE1 3.47Å; S1583-E1591 PolarHBondContact OG-OE1 3.19Å; S1583-E1592 CarbonylContact C-O 3.42Å; S1583-E1592 VanDerWaalsContact CA-O 3.27Å; S1583-E1592 WeakPolarHBondContact CA-O 3.48Å; S1583-E1592 WeakPolarHBondContact CB-O 2.99Å; S1583-I1618 CarbonylContact O-C 3.49Å; S1583-I1618 WeakPolarHBondContact O-CA 3.45Å; S1583-T1619 PolarHBondContact N-O 3.22Å; S1583-T1619 PolarHBondContact O-N 2.94Å |
| 1584 | I | 81.2 | Confident | 68 | Low | 10 Ų | 10 | 55.5 Ų | 55.5 | 5% | 0.051 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 140.8 | 172.4 | -165.8 | 172.2 | 0 | 0 | 0 | 109.9 | E1591 E1592 C1594 F1608 H1616 L1617 I1618 I1634 | I1584-E1591 CarbonylContact O-C 3.56Å; I1584-E1591 VanDerWaalsContact O-CA 3.28Å; I1584-E1591 WeakPolarHBondContact O-CA 3.37Å; I1584-E1592 PolarHBondContact N-O 3.34Å; I1584-E1592 PolarHBondContact O-N 2.85Å; I1584-C1594 WeakPolarHBondContact CB-SG 3.28Å; I1584-C1594 WeakPolarHBondContact CG2-SG 3.26Å; I1584-F1608 HydrophobicContact CD1-CB 4.26Å; I1584-F1608 HydrophobicContact CD1-CD1 3.82Å; I1584-F1608 HydrophobicContact CD1-CD2 3.37Å; I1584-F1608 HydrophobicContact CD1-CE1 3.96Å; I1584-F1608 HydrophobicContact CD1-CE2 3.52Å; I1584-F1608 HydrophobicContact CD1-CG 3.52Å; I1584-F1608 HydrophobicContact CD1-CZ 3.83Å; I1584-F1608 HydrophobicContact CG2-CB 4.35Å; I1584-H1616 HydrophobicContact CD1-CB 3.75Å; I1584-H1616 HydrophobicContact CG1-CB 3.88Å; I1584-L1617 CarbonylContact C-O 3.53Å; I1584-L1617 WeakPolarHBondContact CA-O 3.14Å; I1584-I1618 HydrophobicContact CB-CG1 4.41Å; I1584-I1618 HydrophobicContact CD1-CG1 4.19Å; I1584-I1618 HydrophobicContact CG1-CG1 4.02Å; I1584-I1634 HydrophobicContact CD1-CD1 3.94Å |
| 1585 | K | 77.2 | Confident | 68.3 | Low | 86 Ų | 86 | 56.3 Ų | 56.3 | 37% | 0.374 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 129.2 | 171.4 | -175 | 169 | -179.6 | 162.4 | 0 | 111.1 | G1589 I1590 E1591 H1616 L1617 | K1585-G1589 VanDerWaalsContact CE-CA 3.49Å; K1585-G1589 VanDerWaalsContact CE-O 3.24Å; K1585-G1589 WeakPolarHBondContact CE-O 3.17Å; K1585-I1590 CarbonylContact C-O 3.47Å; K1585-I1590 VanDerWaalsContact CA-O 3.26Å; K1585-I1590 WeakPolarHBondContact CA-O 3.24Å; K1585-E1591 HydrophobicContact CB-CB 4.36Å; K1585-E1591 HydrophobicContact CB-CG 4.35Å; K1585-E1591 HydrophobicContact CG-CB 4.47Å; K1585-H1616 CarbonylContact O-C 3.56Å; K1585-H1616 WeakPolarHBondContact O-CA 3.43Å; K1585-H1616 WeakPolarHBondContact O-CB 3.36Å; K1585-L1617 HydrophobicContact CB-CB 4.38Å; K1585-L1617 PolarHBondContact N-O 3.33Å; K1585-L1617 PolarHBondContact O-N 3.27Å |
| 1586 | S | 74.3 | Confident | 68.7 | Low | 20 Ų | 20 | 50.6 Ų | 50.6 | 14% | 0.14 | 31% | 0.307 | C | S | . | . | trans | -74.4 | 166.3 | 178.5 | 68.8 | 0 | 0 | 0 | 0 | 113.1 | S1588 G1589 I1590 | S1586-S1588 VanDerWaalsContact C-N 3.29Å; S1586-S1588 PolarHBondContact O-N 3.48Å; S1586-S1588 PolarHBondContact OG-N 2.98Å; S1586-S1588 PolarHBondContact OG-OG 3.01Å; S1586-G1589 WeakPolarHBondContact O-CA 3.37Å; S1586-G1589 PolarHBondContact O-N 2.84Å; S1586-G1589 PolarHBondContact OG-N 3.2Å; S1586-G1589 VanDerWaalsContact OG-N 3.09Å; S1586-I1590 PolarHBondContact N-O 2.98Å; S1586-I1590 PolarHBondContact OG-N 2.82Å; S1586-I1590 PolarHBondContact OG-O 2.89Å | ||
| 1587 | P | 74.7 | Confident | 68.8 | Low | 63 Ų | 63 | 51.4 Ų | 51.4 | 41% | 0.409 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -38.3 | 168.8 | -23.7 | 31.6 | 0 | 0 | 0 | 113.3 | G1589 E1612 E1615 H1616 | P1587-G1589 PolarHBondContact O-N 2.84Å; P1587-E1612 WeakPolarHBondContact CD-OE2 3.14Å; P1587-E1612 HydrophobicContact CG-CB 4.25Å; P1587-E1615 WeakPolarHBondContact CG-O 3.44Å; P1587-H1616 WeakPolarHBondContact CD-CE1 3.33Å |
| 1588 | S | 65.2 | Low | 69.2 | Low | 72 Ų | 72 | 54.5 Ų | 54.5 | 50% | 0.503 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -16.3 | 172 | 63.7 | 0 | 0 | 0 | 0 | 114.3 | S1586 E1612 | S1586-S1588 VanDerWaalsContact C-N 3.29Å; S1586-S1588 PolarHBondContact O-N 3.48Å; S1586-S1588 PolarHBondContact OG-N 2.98Å; S1586-S1588 PolarHBondContact OG-OG 3.01Å; S1588-E1612 WeakPolarHBondContact CB-OE1 3.45Å; S1588-E1612 VanDerWaalsContact CB-OE2 3.31Å; S1588-E1612 WeakPolarHBondContact CB-OE2 3.29Å; S1588-E1612 PolarHBondContact N-OE2 3.38Å; S1588-E1612 VanDerWaalsContact OG-CD 3.24Å; S1588-E1612 PolarHBondContact OG-OE1 3.24Å; S1588-E1612 PolarHBondContact OG-OE2 2.81Å |
| 1589 | G | 64.4 | Low | 69.4 | Low | 33 Ų | 33 | 52 Ų | 52 | 34% | 0.34 | 30% | 0.297 | S | S | . | . | trans | 97.3 | 7.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | K1585 S1586 P1587 | K1585-G1589 VanDerWaalsContact CE-CA 3.49Å; K1585-G1589 VanDerWaalsContact CE-O 3.24Å; K1585-G1589 WeakPolarHBondContact CE-O 3.17Å; S1586-G1589 WeakPolarHBondContact O-CA 3.37Å; S1586-G1589 PolarHBondContact O-N 2.84Å; S1586-G1589 PolarHBondContact OG-N 3.2Å; S1586-G1589 VanDerWaalsContact OG-N 3.09Å; P1587-G1589 PolarHBondContact O-N 2.84Å | ||
| 1590 | I | 61 | Low | 69.2 | Low | 62 Ų | 62 | 55.9 Ų | 55.9 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | trans | -70 | 132 | 172.6 | -58 | 171.3 | 0 | 0 | 0 | 108.6 | K1585 S1586 E1592 | K1585-I1590 CarbonylContact C-O 3.47Å; K1585-I1590 VanDerWaalsContact CA-O 3.26Å; K1585-I1590 WeakPolarHBondContact CA-O 3.24Å; S1586-I1590 PolarHBondContact N-O 2.98Å; S1586-I1590 PolarHBondContact OG-N 2.82Å; S1586-I1590 PolarHBondContact OG-O 2.89Å; I1590-E1592 HydrophobicContact CG2-CG 4.27Å | ||
| 1591 | E | 62.7 | Low | 69 | Low | 92 Ų | 92 | 59.9 Ų | 59.9 | 43% | 0.43 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 119.1 | 178.5 | -169.7 | -179.9 | 160.7 | 0 | 0 | 111.4 | S1583 I1584 K1585 | S1583-E1591 WeakPolarHBondContact CB-OE1 3.47Å; S1583-E1591 PolarHBondContact OG-OE1 3.19Å; I1584-E1591 CarbonylContact O-C 3.56Å; I1584-E1591 VanDerWaalsContact O-CA 3.28Å; I1584-E1591 WeakPolarHBondContact O-CA 3.37Å; K1585-E1591 HydrophobicContact CB-CB 4.36Å; K1585-E1591 HydrophobicContact CB-CG 4.35Å; K1585-E1591 HydrophobicContact CG-CB 4.47Å |
| 1592 | E | 57.9 | Low | 68.9 | Low | 60 Ų | 60 | 59.3 Ų | 59.3 | 28% | 0.28 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 146.6 | -179.4 | -68 | -177.3 | 164.6 | 0 | 0 | 110.7 | S1583 I1584 I1590 R1611 | S1583-E1592 CarbonylContact C-O 3.42Å; S1583-E1592 VanDerWaalsContact CA-O 3.27Å; S1583-E1592 WeakPolarHBondContact CA-O 3.48Å; S1583-E1592 WeakPolarHBondContact CB-O 2.99Å; I1584-E1592 PolarHBondContact N-O 3.34Å; I1584-E1592 PolarHBondContact O-N 2.85Å; I1590-E1592 HydrophobicContact CG2-CG 4.27Å; E1592-R1611 IonicContact OE1-NH1 2.74Å; E1592-R1611 PolarHBondContact OE1-NH1 3.15Å; E1592-R1611 IonicContact OE2-NH1 2.72Å |
| 1593 | P | 63.8 | Low | 68.9 | Low | 62 Ų | 62 | 60.2 Ų | 60.2 | 40% | 0.403 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 148.5 | 174 | 31 | -34 | 0 | 0 | 0 | 111.1 | T2073 | P1593-T2073 VanDerWaalsContact CD-CG2 3.48Å; P1593-T2073 HydrophobicContact CG-CG2 3.97Å |
| 1594 | C | 64.9 | Low | 69 | Low | 18 Ų | 18 | 59.7 Ų | 59.7 | 12% | 0.122 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 147.7 | -179.6 | -65.2 | 0 | 0 | 0 | 0 | 111.8 | A1582 I1584 V1606 | A1582-C1594 HydrophobicContact CB-CB 4.13Å; A1582-C1594 PolarHBondContact O-N 2.84Å; I1584-C1594 WeakPolarHBondContact CB-SG 3.28Å; I1584-C1594 WeakPolarHBondContact CG2-SG 3.26Å; C1594-V1606 HydrophobicContact CB-CG1 3.43Å; C1594-V1606 VanDerWaalsContact CB-CG1 3.43Å |
| 1595 | A | 66.4 | Low | 68.8 | Low | 64 Ų | 64 | 59.2 Ų | 59.2 | 53% | 0.529 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 137.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V1606 S1607 | A1595-V1606 WeakPolarHBondContact O-CA 3.39Å; A1595-S1607 PolarHBondContact N-O 3.14Å; A1595-S1607 PolarHBondContact O-N 3.14Å |
| 1596 | T | 69.1 | Low | 68.7 | Low | 47 Ų | 47 | 55.1 Ų | 55.1 | 29% | 0.288 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 135.6 | 178.9 | 50.2 | 0 | 0 | 0 | 0 | 110.5 | L1580 A1582 L1604 G1605 V1606 | L1580-T1596 PolarHBondContact O-OG1 3.29Å; A1582-T1596 HydrophobicContact CB-CG2 3.57Å; T1596-L1604 HydrophobicContact CG2-CD1 4.5Å; T1596-L1604 HydrophobicContact CG2-CD2 4.21Å; T1596-G1605 CarbonylContact C-O 3.55Å; T1596-G1605 WeakPolarHBondContact CA-O 3.44Å; T1596-V1606 HydrophobicContact CG2-CG2 4.41Å |
| 1597 | K | 68.6 | Low | 68.4 | Low | 90 Ų | 90 | 55.3 Ų | 55.3 | 39% | 0.391 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 159.3 | 173.9 | 75 | -177 | -165.5 | -172.2 | 0 | 111.5 | E1567 G1605 | E1567-K1597 WeakPolarHBondContact OE1-CE 3.44Å; E1567-K1597 IonicContact OE1-NZ 2.75Å; E1567-K1597 PolarHBondContact OE1-NZ 3.09Å; E1567-K1597 WeakPolarHBondContact OE2-CE 3.45Å; E1567-K1597 IonicContact OE2-NZ 3.8Å; E1567-K1597 PolarHBondContact OE2-NZ 3.11Å; K1597-G1605 PolarHBondContact N-O 3.01Å; K1597-G1605 PolarHBondContact O-N 2.76Å |
| 1598 | K | 71.5 | Confident | 68.1 | Low | 101 Ų | 101 | 53 Ų | 53 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 124.8 | 169.3 | -153.9 | 165.4 | -174.1 | 172.8 | 0 | 108.6 | E1575 T1577 | E1575-K1598 PolarHBondContact O-NZ 3.19Å; T1577-K1598 HydrophobicContact CG2-CB 4.02Å; T1577-K1598 HydrophobicContact CG2-CD 4.09Å; T1577-K1598 HydrophobicContact CG2-CG 4.02Å |
| 1599 | L | 68.8 | Low | 68.3 | Low | 32 Ų | 32 | 51.9 Ų | 51.9 | 17% | 0.168 | 29% | 0.293 | C | S | . | . | trans | -85.5 | 160.1 | 178.2 | -72.4 | 169.9 | 0 | 0 | 0 | 111.3 | N1601 G1602 N1603 G1605 | L1599-N1601 VanDerWaalsContact CB-OD1 3.24Å; L1599-N1601 WeakPolarHBondContact CB-OD1 3.5Å; L1599-N1601 PolarHBondContact O-N 2.83Å; L1599-N1601 VanDerWaalsContact O-N 3.08Å; L1599-G1602 PolarHBondContact O-N 2.78Å; L1599-N1603 PolarHBondContact N-O 2.83Å; L1599-G1605 VanDerWaalsContact CD1-CA 3.46Å | ||
| 1600 | E | 66.8 | Low | 68.6 | Low | 171 Ų | 171 | 50.4 Ų | 50.4 | 80% | 0.799 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -24.9 | 176.4 | -64.6 | -166.1 | 126 | 0 | 0 | 113.5 | R575 G1602 | R575-E1600 IonicContact CZ-OE1 3.15Å; R575-E1600 IonicContact NH2-OE1 3.57Å; R575-E1600 PolarHBondContact NH2-OE1 2.94Å; E1600-G1602 PolarHBondContact O-N 2.77Å |
| 1601 | N | 69.2 | Low | 69 | Low | 95 Ų | 95 | 53.6 Ų | 53.6 | 51% | 0.508 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 10.9 | 176 | 69.7 | 5.7 | 0 | 0 | 0 | 113.7 | S1569 L1599 N1603 | S1569-N1601 PolarHBondContact OG-ND2 3.16Å; L1599-N1601 VanDerWaalsContact CB-OD1 3.24Å; L1599-N1601 WeakPolarHBondContact CB-OD1 3.5Å; L1599-N1601 PolarHBondContact O-N 2.83Å; L1599-N1601 VanDerWaalsContact O-N 3.08Å; N1601-N1603 PolarHBondContact ND2-ND2 2.99Å; N1601-N1603 VanDerWaalsContact ND2-ND2 3.16Å; N1601-N1603 PolarHBondContact O-N 2.81Å; N1601-N1603 VanDerWaalsContact OD1-CB 3.25Å; N1601-N1603 WeakPolarHBondContact OD1-CB 3.43Å; N1601-N1603 PolarHBondContact OD1-N 2.9Å; N1601-N1603 VanDerWaalsContact OD1-N 3.08Å; N1601-N1603 PolarHBondContact OD1-ND2 2.78Å; N1601-N1603 VanDerWaalsContact OD1-ND2 3.08Å |
| 1602 | G | 67.5 | Low | 69.3 | Low | 43 Ų | 43 | 51.7 Ų | 51.7 | 44% | 0.443 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 79.3 | -9.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1599 E1600 | L1599-G1602 PolarHBondContact O-N 2.78Å; E1600-G1602 PolarHBondContact O-N 2.77Å |
| 1603 | N | 77.4 | Confident | 70 | Confident | 29 Ų | 29 | 51.9 Ų | 51.9 | 16% | 0.155 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -81.5 | 165.3 | -176 | -63.3 | -53.8 | 0 | 0 | 0 | 112.8 | S1569 L1570 R1571 L1599 N1601 G1605 | S1569-N1603 WeakPolarHBondContact OG-CB 3.35Å; S1569-N1603 PolarHBondContact OG-ND2 3.44Å; L1570-N1603 WeakPolarHBondContact O-CB 3.21Å; R1571-N1603 WeakPolarHBondContact CA-OD1 3.38Å; R1571-N1603 WeakPolarHBondContact CG-OD1 3.43Å; L1599-N1603 PolarHBondContact N-O 2.83Å; N1601-N1603 PolarHBondContact ND2-ND2 2.99Å; N1601-N1603 VanDerWaalsContact ND2-ND2 3.16Å; N1601-N1603 PolarHBondContact O-N 2.81Å; N1601-N1603 VanDerWaalsContact OD1-CB 3.25Å; N1601-N1603 WeakPolarHBondContact OD1-CB 3.43Å; N1601-N1603 PolarHBondContact OD1-N 2.9Å; N1601-N1603 VanDerWaalsContact OD1-N 3.08Å; N1601-N1603 PolarHBondContact OD1-ND2 2.78Å; N1601-N1603 VanDerWaalsContact OD1-ND2 3.08Å; N1603-G1605 PolarHBondContact O-N 3.4Å |
| 1604 | L | 76.5 | Confident | 70.7 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 113.5 | 168.3 | -168.8 | 71.6 | 0 | 0 | 0 | 109.4 | L1570 I1572 T1577 L1580 T1596 V1606 V1620 | L1570-L1604 PolarHBondContact N-O 2.74Å; L1570-L1604 PolarHBondContact O-N 2.67Å; I1572-L1604 HydrophobicContact CD1-CB 4.23Å; I1572-L1604 HydrophobicContact CD1-CD2 3.78Å; T1577-L1604 HydrophobicContact CG2-CD1 3.83Å; L1580-L1604 HydrophobicContact CB-CD2 4.47Å; L1580-L1604 HydrophobicContact CD1-CD1 3.95Å; L1580-L1604 HydrophobicContact CD1-CD2 4.08Å; T1596-L1604 HydrophobicContact CG2-CD1 4.5Å; T1596-L1604 HydrophobicContact CG2-CD2 4.21Å; L1604-V1606 HydrophobicContact CD2-CG2 4.22Å; L1604-V1606 HydrophobicContact CG-CG2 4.41Å; L1604-V1620 HydrophobicContact CD2-CG1 3.83Å; L1604-V1620 HydrophobicContact CD2-CG2 4.39Å |
| 1605 | G | 77.2 | Confident | 71.5 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 124.8 | 166 | 0 | 0 | 0 | 0 | 0 | 110.3 | V1568 T1596 K1597 L1599 N1603 | V1568-G1605 WeakPolarHBondContact O-CA 3.42Å; T1596-G1605 CarbonylContact C-O 3.55Å; T1596-G1605 WeakPolarHBondContact CA-O 3.44Å; K1597-G1605 PolarHBondContact N-O 3.01Å; K1597-G1605 PolarHBondContact O-N 2.76Å; L1599-G1605 VanDerWaalsContact CD1-CA 3.46Å; N1603-G1605 PolarHBondContact O-N 3.4Å |
| 1606 | V | 75.2 | Confident | 72 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 120.5 | 170 | -177 | 0 | 0 | 0 | 0 | 108.7 | V1568 L1570 A1582 C1594 A1595 T1596 L1604 I1618 | V1568-V1606 PolarHBondContact N-O 3.34Å; V1568-V1606 PolarHBondContact O-N 3.31Å; L1570-V1606 HydrophobicContact CD1-CG2 3.59Å; L1570-V1606 HydrophobicContact CG-CG2 4.27Å; A1582-V1606 HydrophobicContact CB-CG1 3.96Å; A1582-V1606 HydrophobicContact CB-CG2 4.16Å; C1594-V1606 HydrophobicContact CB-CG1 3.43Å; C1594-V1606 VanDerWaalsContact CB-CG1 3.43Å; A1595-V1606 WeakPolarHBondContact O-CA 3.39Å; T1596-V1606 HydrophobicContact CG2-CG2 4.41Å; L1604-V1606 HydrophobicContact CD2-CG2 4.22Å; L1604-V1606 HydrophobicContact CG-CG2 4.41Å; V1606-I1618 HydrophobicContact CB-CD1 4.18Å; V1606-I1618 HydrophobicContact CB-CG2 4.45Å; V1606-I1618 HydrophobicContact CG1-CD1 4.13Å; V1606-I1618 HydrophobicContact CG1-CG2 3.97Å; V1606-I1618 HydrophobicContact CG2-CG2 4.23Å |
| 1607 | S | 66.8 | Low | 72.8 | Confident | 23 Ų | 23 | 53.1 Ų | 53.1 | 16% | 0.161 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 128.4 | -176.6 | 161.8 | 0 | 0 | 0 | 0 | 110.6 | T1565 S1566 A1595 | T1565-S1607 WeakPolarHBondContact CB-OG 3.4Å; T1565-S1607 WeakPolarHBondContact CG2-OG 3.35Å; T1565-S1607 PolarHBondContact OG1-OG 2.82Å; S1566-S1607 WeakPolarHBondContact O-CA 3.46Å; A1595-S1607 PolarHBondContact N-O 3.14Å; A1595-S1607 PolarHBondContact O-N 3.14Å |
| 1608 | F | 69.5 | Low | 73.5 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 6% | 0.061 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 159.7 | 176.2 | 82.8 | -77.8 | 0 | 0 | 0 | 112.4 | S1566 V1568 I1584 P1610 I1634 V1636 | S1566-F1608 PolarHBondContact N-O 3.23Å; S1566-F1608 PolarHBondContact O-N 2.87Å; S1566-F1608 WeakPolarHBondContact OG-CD1 3.32Å; S1566-F1608 WeakPolarHBondContact OG-CE1 3.46Å; S1566-F1608 WeakPolarHBondContact OG-CZ 3.33Å; S1566-F1608 PolarHBondContact OG-O 3.2Å; V1568-F1608 HydrophobicContact CG2-CD1 4.35Å; V1568-F1608 HydrophobicContact CG2-CE1 3.81Å; I1584-F1608 HydrophobicContact CD1-CB 4.26Å; I1584-F1608 HydrophobicContact CD1-CD1 3.82Å; I1584-F1608 HydrophobicContact CD1-CD2 3.37Å; I1584-F1608 HydrophobicContact CD1-CE1 3.96Å; I1584-F1608 HydrophobicContact CD1-CE2 3.52Å; I1584-F1608 HydrophobicContact CD1-CG 3.52Å; I1584-F1608 HydrophobicContact CD1-CZ 3.83Å; I1584-F1608 HydrophobicContact CG2-CB 4.35Å; F1608-P1610 HydrophobicContact CD2-CG 4.43Å; F1608-P1610 HydrophobicContact CE2-CB 3.77Å; F1608-P1610 HydrophobicContact CE2-CG 3.7Å; F1608-P1610 HydrophobicContact CZ-CB 4.33Å; F1608-P1610 HydrophobicContact CZ-CG 3.95Å; F1608-I1634 HydrophobicContact CD1-CD1 4.33Å; F1608-I1634 HydrophobicContact CE1-CD1 3.33Å; F1608-I1634 HydrophobicContact CE2-CD1 4.34Å; F1608-I1634 HydrophobicContact CZ-CD1 3.34Å; F1608-V1636 HydrophobicContact CE2-CG2 4.21Å; F1608-V1636 HydrophobicContact CZ-CG2 3.88Å |
| 1609 | T | 69.7 | Low | 74 | Confident | 49 Ų | 49 | 45.1 Ų | 45.1 | 30% | 0.301 | 24% | 0.242 | S | C | . | . | trans | -101.8 | 117.5 | 175 | -55.7 | 0 | 0 | 0 | 0 | 110.3 | R1611 | T1609-R1611 PolarHBondContact O-N 3.26Š| ||
| 1610 | P | 70.4 | Confident | 74.6 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | trans | -75 | 115.9 | 179.2 | -5.2 | 21.1 | 0 | 0 | 0 | 112.4 | F1608 V1636 Y1674 | F1608-P1610 HydrophobicContact CD2-CG 4.43Å; F1608-P1610 HydrophobicContact CE2-CB 3.77Å; F1608-P1610 HydrophobicContact CE2-CG 3.7Å; F1608-P1610 HydrophobicContact CZ-CB 4.33Å; F1608-P1610 HydrophobicContact CZ-CG 3.95Å; P1610-V1636 HydrophobicContact CB-CB 4.46Å; P1610-V1636 HydrophobicContact CB-CG1 3.5Å; P1610-V1636 VanDerWaalsContact CB-CG1 3.5Å; P1610-V1636 HydrophobicContact CB-CG2 4.1Å; P1610-V1636 HydrophobicContact CG-CG1 4.28Å; P1610-Y1674 VanDerWaalsContact CD-CB 3.43Å; P1610-Y1674 HydrophobicContact CG-CD2 4.37Å; P1610-Y1674 HydrophobicContact CG-CG 4.48Å | ||
| 1611 | R | 70 | Confident | 75 | Confident | 130 Ų | 130 | 38.2 Ų | 38.2 | 49% | 0.491 | 21% | 0.209 | S | C | . | . | trans | -95.2 | -20.6 | 174.3 | -74.6 | 177.7 | 165.5 | 144.1 | -9 | 114 | E1592 T1609 V1641 D1719 | E1592-R1611 IonicContact OE1-NH1 2.74Å; E1592-R1611 PolarHBondContact OE1-NH1 3.15Å; E1592-R1611 IonicContact OE2-NH1 2.72Å; T1609-R1611 PolarHBondContact O-N 3.26Å; R1611-V1641 WeakPolarHBondContact O-CG1 3.23Å; R1611-D1719 IonicContact CZ-OD2 3.34Å; R1611-D1719 IonicContact NE-OD2 3.66Å; R1611-D1719 PolarHBondContact NE-OD2 3.36Å; R1611-D1719 IonicContact NH2-OD2 2.63Å; R1611-D1719 PolarHBondContact NH2-OD2 2.89Å | ||
| 1612 | E | 67.7 | Low | 75 | Confident | 51 Ų | 51 | 36 Ų | 36 | 24% | 0.238 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -130.8 | 146.9 | -174.6 | -71.4 | 172.6 | -150 | 0 | 0 | 111.1 | P1587 S1588 H1616 V1636 V1641 | P1587-E1612 WeakPolarHBondContact CD-OE2 3.14Å; P1587-E1612 HydrophobicContact CG-CB 4.25Å; S1588-E1612 WeakPolarHBondContact CB-OE1 3.45Å; S1588-E1612 VanDerWaalsContact CB-OE2 3.31Å; S1588-E1612 WeakPolarHBondContact CB-OE2 3.29Å; S1588-E1612 PolarHBondContact N-OE2 3.38Å; S1588-E1612 VanDerWaalsContact OG-CD 3.24Å; S1588-E1612 PolarHBondContact OG-OE1 3.24Å; S1588-E1612 PolarHBondContact OG-OE2 2.81Å; E1612-H1616 PolarHBondContact O-CE1 3.37Å; E1612-V1636 WeakPolarHBondContact O-CG1 3.41Å; E1612-V1641 WeakPolarHBondContact O-CG2 3.28Å |
| 1613 | P | 73.4 | Confident | 74.8 | Confident | 64 Ų | 64 | 40.5 Ų | 40.5 | 42% | 0.416 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -85.8 | 124.7 | 169.8 | 32.7 | -30.5 | 0 | 0 | 0 | 110 | K1638 V1641 | P1613-K1638 HydrophobicContact CB-CB 4.44Å; P1613-K1638 HydrophobicContact CB-CG 3.67Å; P1613-K1638 HydrophobicContact CG-CG 3.83Å; P1613-V1641 HydrophobicContact CB-CG2 4.15Å |
| 1614 | G | 78.8 | Confident | 73.9 | Confident | 21 Ų | 21 | 41.9 Ų | 41.9 | 22% | 0.216 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.2 | -169.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | H1616 V1636 | G1614-H1616 PolarHBondContact O-ND1 3.39Å; G1614-H1616 VanDerWaalsContact O-ND1 3.1Å; G1614-V1636 PolarHBondContact N-O 2.98Å; G1614-V1636 PolarHBondContact O-N 3.44Å |
| 1615 | E | 80.7 | Confident | 73.5 | Confident | 122 Ų | 122 | 46.7 Ų | 46.7 | 57% | 0.57 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 120.3 | 177.3 | -174.7 | 166.1 | -167.1 | 0 | 0 | 110.7 | P1587 S1633 I1634 | P1587-E1615 WeakPolarHBondContact CG-O 3.44Å; E1615-S1633 VanDerWaalsContact CD-OG 3.32Å; E1615-S1633 WeakPolarHBondContact CG-OG 3.46Å; E1615-S1633 WeakPolarHBondContact OE1-CB 3.34Å; E1615-S1633 PolarHBondContact OE1-OG 3.01Å; E1615-I1634 CarbonylContact C-O 3.59Å; E1615-I1634 WeakPolarHBondContact CA-O 3.42Å |
| 1616 | H | 76.7 | Confident | 73.4 | Confident | 7 Ų | 7 | 51 Ų | 51 | 3% | 0.032 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 151.4 | 173 | -60.6 | 53.7 | 0 | 0 | 0 | 109.6 | I1584 K1585 P1587 E1612 G1614 S1633 I1634 V1636 | I1584-H1616 HydrophobicContact CD1-CB 3.75Å; I1584-H1616 HydrophobicContact CG1-CB 3.88Å; K1585-H1616 CarbonylContact O-C 3.56Å; K1585-H1616 WeakPolarHBondContact O-CA 3.43Å; K1585-H1616 WeakPolarHBondContact O-CB 3.36Å; P1587-H1616 WeakPolarHBondContact CD-CE1 3.33Å; E1612-H1616 PolarHBondContact O-CE1 3.37Å; G1614-H1616 PolarHBondContact O-ND1 3.39Å; G1614-H1616 VanDerWaalsContact O-ND1 3.1Å; H1616-S1633 WeakPolarHBondContact O-CA 3.4Å; H1616-I1634 HydrophobicContact CB-CD1 4.1Å; H1616-I1634 HydrophobicContact CB-CG1 3.72Å; H1616-I1634 PolarHBondContact N-O 3Å; H1616-I1634 PolarHBondContact O-N 2.97Å; H1616-V1636 VanDerWaalsContact CE1-CG2 3.49Å; H1616-V1636 WeakPolarHBondContact CE1-CG2 3.35Å; H1616-V1636 WeakPolarHBondContact ND1-CG2 3.36Å |
| 1617 | L | 86.2 | Confident | 73.5 | Confident | 68 Ų | 68 | 52.8 Ų | 52.8 | 36% | 0.356 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 112.6 | -177.4 | -64.6 | 172.2 | 0 | 0 | 0 | 110.4 | I1584 K1585 P1631 | I1584-L1617 CarbonylContact C-O 3.53Å; I1584-L1617 WeakPolarHBondContact CA-O 3.14Å; K1585-L1617 HydrophobicContact CB-CB 4.38Å; K1585-L1617 PolarHBondContact N-O 3.33Å; K1585-L1617 PolarHBondContact O-N 3.27Å; L1617-P1631 HydrophobicContact CB-CB 4.24Å |
| 1618 | I | 83.1 | Confident | 73.7 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 113.8 | 174.6 | -56.6 | 174.6 | 0 | 0 | 0 | 109.7 | V1568 L1570 A1582 S1583 I1584 V1606 V1620 P1631 F1632 I1634 | V1568-I1618 HydrophobicContact CB-CD1 3.94Å; V1568-I1618 HydrophobicContact CG1-CD1 3.95Å; V1568-I1618 HydrophobicContact CG2-CD1 4.04Å; L1570-I1618 HydrophobicContact CD1-CD1 4.49Å; L1570-I1618 HydrophobicContact CD1-CG2 4.02Å; A1582-I1618 HydrophobicContact CB-CG2 4.35Å; S1583-I1618 CarbonylContact O-C 3.49Å; S1583-I1618 WeakPolarHBondContact O-CA 3.45Å; I1584-I1618 HydrophobicContact CB-CG1 4.41Å; I1584-I1618 HydrophobicContact CD1-CG1 4.19Å; I1584-I1618 HydrophobicContact CG1-CG1 4.02Å; V1606-I1618 HydrophobicContact CB-CD1 4.18Å; V1606-I1618 HydrophobicContact CB-CG2 4.45Å; V1606-I1618 HydrophobicContact CG1-CD1 4.13Å; V1606-I1618 HydrophobicContact CG1-CG2 3.97Å; V1606-I1618 HydrophobicContact CG2-CG2 4.23Å; I1618-V1620 HydrophobicContact CG2-CG2 4.02Å; I1618-P1631 CarbonylContact O-C 3.46Å; I1618-P1631 WeakPolarHBondContact O-CA 3.42Å; I1618-F1632 PolarHBondContact N-O 2.88Å; I1618-F1632 PolarHBondContact O-N 2.78Å; I1618-I1634 HydrophobicContact CD1-CD1 4.14Å; I1618-I1634 HydrophobicContact CD1-CG2 4.05Å; I1618-I1634 HydrophobicContact CG1-CD1 4.41Å |
| 1619 | T | 81.5 | Confident | 73.8 | Confident | 22 Ų | 22 | 63.8 Ų | 63.8 | 14% | 0.135 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 124.5 | 170 | -55 | 0 | 0 | 0 | 0 | 110.3 | A1582 S1583 K1621 I1626 S1630 | A1582-T1619 CarbonylContact C-O 3.57Å; A1582-T1619 VanDerWaalsContact CA-O 3.28Å; A1582-T1619 WeakPolarHBondContact CA-O 3.36Å; S1583-T1619 PolarHBondContact N-O 3.22Å; S1583-T1619 PolarHBondContact O-N 2.94Å; T1619-K1621 HydrophobicContact CG2-CG 4.35Å; T1619-I1626 HydrophobicContact CG2-CD1 4.09Å; T1619-I1626 HydrophobicContact CG2-CG1 4.05Å; T1619-I1626 HydrophobicContact CG2-CG2 4.27Å; T1619-S1630 VanDerWaalsContact CA-OG 3.31Å; T1619-S1630 WeakPolarHBondContact CA-OG 3.44Å |
| 1620 | V | 81.6 | Confident | 74.2 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 133.8 | 174.2 | -171.7 | 0 | 0 | 0 | 0 | 110.8 | L1570 I1572 S1581 A1582 L1604 I1618 L1627 S1630 F1632 | L1570-V1620 HydrophobicContact CD1-CG2 3.68Å; I1572-V1620 HydrophobicContact CD1-CB 4.11Å; I1572-V1620 HydrophobicContact CD1-CG1 3.85Å; I1572-V1620 HydrophobicContact CD1-CG2 4.07Å; S1581-V1620 CarbonylContact O-C 3.54Å; S1581-V1620 WeakPolarHBondContact O-CA 3.45Å; A1582-V1620 HydrophobicContact CB-CG2 4.36Å; L1604-V1620 HydrophobicContact CD2-CG1 3.83Å; L1604-V1620 HydrophobicContact CD2-CG2 4.39Å; I1618-V1620 HydrophobicContact CG2-CG2 4.02Å; V1620-L1627 HydrophobicContact CG1-CD1 4.07Å; V1620-L1627 PolarHBondContact O-N 2.82Å; V1620-S1630 PolarHBondContact N-OG 2.86Å; V1620-F1632 HydrophobicContact CB-CE2 4.25Å; V1620-F1632 HydrophobicContact CG2-CD2 4.09Å; V1620-F1632 HydrophobicContact CG2-CE2 3.9Å |
| 1621 | K | 75.6 | Confident | 74.4 | Confident | 59 Ų | 59 | 65.5 Ų | 65.5 | 26% | 0.257 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 138.3 | -176.5 | -67.8 | 159.9 | -173.8 | 148.8 | 0 | 111.5 | S1581 T1619 V1625 I1626 | S1581-K1621 PolarHBondContact N-O 2.79Å; S1581-K1621 PolarHBondContact O-N 2.68Å; S1581-K1621 PolarHBondContact OG-O 2.94Å; T1619-K1621 HydrophobicContact CG2-CG 4.35Å; K1621-V1625 CarbonylContact C-O 3.34Å; K1621-V1625 WeakPolarHBondContact CA-O 3.47Å; K1621-I1626 HydrophobicContact CD-CG1 4.35Å; K1621-I1626 HydrophobicContact CG-CB 4.45Å; K1621-I1626 HydrophobicContact CG-CG1 3.74Å |
| 1622 | K | 69 | Low | 74.9 | Confident | 48 Ų | 48 | 61.4 Ų | 61.4 | 21% | 0.209 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 126.5 | 168.7 | -169.7 | 176.5 | -165.7 | 178.5 | 0 | 109.2 | D1574 Q1579 L1580 G1624 V1625 L1627 | D1574-K1622 IonicContact OD1-NZ 2.96Å; D1574-K1622 PolarHBondContact OD1-NZ 3.41Å; D1574-K1622 VanDerWaalsContact OD2-CD 3.28Å; D1574-K1622 WeakPolarHBondContact OD2-CD 3.44Å; D1574-K1622 WeakPolarHBondContact OD2-CE 3.21Å; D1574-K1622 IonicContact OD2-NZ 2.72Å; D1574-K1622 PolarHBondContact OD2-NZ 3.05Å; Q1579-K1622 HydrophobicContact CB-CG 4.14Å; Q1579-K1622 WeakPolarHBondContact O-CA 3.36Å; L1580-K1622 HydrophobicContact CD2-CB 3.65Å; L1580-K1622 HydrophobicContact CD2-CD 4.03Å; L1580-K1622 HydrophobicContact CD2-CG 3.8Å; K1622-G1624 PolarHBondContact O-N 2.75Å; K1622-G1624 VanDerWaalsContact O-N 3.13Å; K1622-V1625 PolarHBondContact N-O 3.47Å; K1622-V1625 PolarHBondContact O-N 2.89Å; K1622-L1627 HydrophobicContact CB-CD2 3.84Å; K1622-L1627 HydrophobicContact CB-CG 4.29Å |
| 1623 | H | 64.3 | Low | 75.6 | Confident | 138 Ų | 138 | 62.1 Ų | 62.1 | 64% | 0.639 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 40.3 | -173.3 | -46.2 | 136.8 | 0 | 0 | 0 | 112.9 | Q1579 V1625 | Q1579-H1623 PolarHBondContact OE1-NE2 3.15Å; H1623-V1625 PolarHBondContact O-N 3.13Å |
| 1624 | G | 58.1 | Low | 75.8 | Confident | 57 Ų | 57 | 60.3 Ų | 60.3 | 59% | 0.588 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | -20.9 | -176 | 0 | 0 | 0 | 0 | 0 | 116.4 | K1622 | K1622-G1624 PolarHBondContact O-N 2.75Å; K1622-G1624 VanDerWaalsContact O-N 3.13Å |
| 1625 | V | 67.8 | Low | 75.9 | Confident | 105 Ų | 105 | 67.1 Ų | 67.1 | 64% | 0.636 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 130.8 | 180 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | K1621 K1622 H1623 | K1621-V1625 CarbonylContact C-O 3.34Å; K1621-V1625 WeakPolarHBondContact CA-O 3.47Å; K1622-V1625 PolarHBondContact N-O 3.47Å; K1622-V1625 PolarHBondContact O-N 2.89Å; H1623-V1625 PolarHBondContact O-N 3.13Å |
| 1626 | I | 75.7 | Confident | 75.5 | Confident | 91 Ų | 91 | 61.7 Ų | 61.7 | 47% | 0.467 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 130.4 | 178.1 | -61.5 | 173.8 | 0 | 0 | 0 | 110 | T1619 K1621 S1630 | T1619-I1626 HydrophobicContact CG2-CD1 4.09Å; T1619-I1626 HydrophobicContact CG2-CG1 4.05Å; T1619-I1626 HydrophobicContact CG2-CG2 4.27Å; K1621-I1626 HydrophobicContact CD-CG1 4.35Å; K1621-I1626 HydrophobicContact CG-CB 4.45Å; K1621-I1626 HydrophobicContact CG-CG1 3.74Å; I1626-S1630 WeakPolarHBondContact CG2-OG 3.46Å |
| 1627 | L | 76.2 | Confident | 75.4 | Confident | 37 Ų | 37 | 65.5 Ų | 65.5 | 19% | 0.194 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 151.9 | -178.6 | -70 | -178.3 | 0 | 0 | 0 | 113 | I1572 L1580 V1620 K1622 G1629 S1630 | I1572-L1627 HydrophobicContact CD1-CD1 4.26Å; I1572-L1627 HydrophobicContact CG2-CD1 3.66Å; L1580-L1627 HydrophobicContact CD2-CD1 3.89Å; V1620-L1627 HydrophobicContact CG1-CD1 4.07Å; V1620-L1627 PolarHBondContact O-N 2.82Å; K1622-L1627 HydrophobicContact CB-CD2 3.84Å; K1622-L1627 HydrophobicContact CB-CG 4.29Å; L1627-G1629 PolarHBondContact O-N 2.86Å; L1627-S1630 VanDerWaalsContact O-CB 3.26Å; L1627-S1630 WeakPolarHBondContact O-CB 3.25Å; L1627-S1630 PolarHBondContact O-N 3.02Å |
| 1628 | K | 72.6 | Confident | 74.7 | Confident | 216 Ų | 216 | 71 Ų | 71 | 94% | 0.939 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 117.6 | -178.2 | -166.2 | 178 | -174.8 | 179.9 | 0 | 110.7 | ||
| 1629 | G | 70.8 | Confident | 74.1 | Confident | 53 Ų | 53 | 74.8 Ų | 74.8 | 55% | 0.546 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.4 | -10.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1627 F1632 | L1627-G1629 PolarHBondContact O-N 2.86Å; G1629-F1632 WeakPolarHBondContact O-CD1 3.35Å |
| 1630 | S | 78 | Confident | 73.6 | Confident | 19 Ų | 19 | 75.9 Ų | 75.9 | 13% | 0.133 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 144.7 | 167.7 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | T1619 V1620 I1626 L1627 | T1619-S1630 VanDerWaalsContact CA-OG 3.31Å; T1619-S1630 WeakPolarHBondContact CA-OG 3.44Å; V1620-S1630 PolarHBondContact N-OG 2.86Å; I1626-S1630 WeakPolarHBondContact CG2-OG 3.46Å; L1627-S1630 VanDerWaalsContact O-CB 3.26Å; L1627-S1630 WeakPolarHBondContact O-CB 3.25Å; L1627-S1630 PolarHBondContact O-N 3.02Å |
| 1631 | P | 73.8 | Confident | 73.2 | Confident | 68 Ų | 68 | 77.2 Ų | 77.2 | 44% | 0.442 | 43% | 0.425 | S | S | . | . | S | Bend | cis | -75.9 | 141.5 | 0.6 | 31.2 | -35.2 | 0 | 0 | 0 | 113.3 | L1617 I1618 | L1617-P1631 HydrophobicContact CB-CB 4.24Å; I1618-P1631 CarbonylContact O-C 3.46Å; I1618-P1631 WeakPolarHBondContact O-CA 3.42Å |
| 1632 | F | 81.1 | Confident | 73 | Confident | 43 Ų | 43 | 75.1 Ų | 75.1 | 19% | 0.189 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 121.4 | 177 | -56.9 | -87.6 | 0 | 0 | 0 | 109.7 | L1570 I1572 I1618 V1620 G1629 | L1570-F1632 HydrophobicContact CD1-CB 4.49Å; L1570-F1632 HydrophobicContact CD1-CD2 3.64Å; L1570-F1632 HydrophobicContact CD1-CE2 4.03Å; L1570-F1632 HydrophobicContact CD1-CG 4.14Å; L1570-F1632 HydrophobicContact CD2-CB 3.73Å; L1570-F1632 HydrophobicContact CD2-CD1 4.08Å; L1570-F1632 HydrophobicContact CD2-CD2 4.11Å; L1570-F1632 HydrophobicContact CD2-CG 3.72Å; L1570-F1632 HydrophobicContact CG-CD2 4.42Å; I1572-F1632 HydrophobicContact CD1-CE2 4.03Å; I1572-F1632 HydrophobicContact CD1-CZ 4.12Å; I1572-F1632 HydrophobicContact CG1-CE2 4.45Å; I1572-F1632 HydrophobicContact CG1-CZ 4.05Å; I1618-F1632 PolarHBondContact N-O 2.88Å; I1618-F1632 PolarHBondContact O-N 2.78Å; V1620-F1632 HydrophobicContact CB-CE2 4.25Å; V1620-F1632 HydrophobicContact CG2-CD2 4.09Å; V1620-F1632 HydrophobicContact CG2-CE2 3.9Å; G1629-F1632 WeakPolarHBondContact O-CD1 3.35Å |
| 1633 | S | 82.6 | Confident | 73.3 | Confident | 67 Ų | 67 | 75.3 Ų | 75.3 | 47% | 0.469 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 134.4 | 173.6 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | E1615 H1616 | E1615-S1633 VanDerWaalsContact CD-OG 3.32Å; E1615-S1633 WeakPolarHBondContact CG-OG 3.46Å; E1615-S1633 WeakPolarHBondContact OE1-CB 3.34Å; E1615-S1633 PolarHBondContact OE1-OG 3.01Å; H1616-S1633 WeakPolarHBondContact O-CA 3.4Å |
| 1634 | I | 78.1 | Confident | 73.9 | Confident | 25 Ų | 25 | 69 Ų | 69 | 13% | 0.128 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 152.7 | 170 | 68.5 | 170.2 | 0 | 0 | 0 | 109.7 | V1568 I1584 F1608 E1615 H1616 I1618 | V1568-I1634 HydrophobicContact CG1-CG2 3.78Å; V1568-I1634 HydrophobicContact CG2-CD1 3.92Å; V1568-I1634 HydrophobicContact CG2-CG2 4.16Å; I1584-I1634 HydrophobicContact CD1-CD1 3.94Å; F1608-I1634 HydrophobicContact CD1-CD1 4.33Å; F1608-I1634 HydrophobicContact CE1-CD1 3.33Å; F1608-I1634 HydrophobicContact CE2-CD1 4.34Å; F1608-I1634 HydrophobicContact CZ-CD1 3.34Å; E1615-I1634 CarbonylContact C-O 3.59Å; E1615-I1634 WeakPolarHBondContact CA-O 3.42Å; H1616-I1634 HydrophobicContact CB-CD1 4.1Å; H1616-I1634 HydrophobicContact CB-CG1 3.72Å; H1616-I1634 PolarHBondContact N-O 3Å; H1616-I1634 PolarHBondContact O-N 2.97Å; I1618-I1634 HydrophobicContact CD1-CD1 4.14Å; I1618-I1634 HydrophobicContact CD1-CG2 4.05Å; I1618-I1634 HydrophobicContact CG1-CD1 4.41Å |
| 1635 | K | 80.1 | Confident | 74.8 | Confident | 164 Ų | 164 | 70.2 Ų | 70.2 | 71% | 0.713 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 109.2 | -179.6 | -173.2 | 174.1 | -179.5 | 175.6 | 0 | 111.1 | ||
| 1636 | V | 72.9 | Confident | 75.5 | Confident | 9 Ų | 9 | 70 Ų | 70 | 6% | 0.055 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 129 | 175 | 179.2 | 0 | 0 | 0 | 0 | 109.1 | F1608 P1610 E1612 G1614 H1616 D1640 V1641 | F1608-V1636 HydrophobicContact CE2-CG2 4.21Å; F1608-V1636 HydrophobicContact CZ-CG2 3.88Å; P1610-V1636 HydrophobicContact CB-CB 4.46Å; P1610-V1636 HydrophobicContact CB-CG1 3.5Å; P1610-V1636 VanDerWaalsContact CB-CG1 3.5Å; P1610-V1636 HydrophobicContact CB-CG2 4.1Å; P1610-V1636 HydrophobicContact CG-CG1 4.28Å; E1612-V1636 WeakPolarHBondContact O-CG1 3.41Å; G1614-V1636 PolarHBondContact N-O 2.98Å; G1614-V1636 PolarHBondContact O-N 3.44Å; H1616-V1636 VanDerWaalsContact CE1-CG2 3.49Å; H1616-V1636 WeakPolarHBondContact CE1-CG2 3.35Å; H1616-V1636 WeakPolarHBondContact ND1-CG2 3.36Å; V1636-D1640 HydrophobicContact CG1-CB 3.85Å; V1636-V1641 HydrophobicContact CG1-CG2 3.87Å |
| 1637 | N | 75.1 | Confident | 75.8 | Confident | 87 Ų | 87 | 65.7 Ų | 65.7 | 47% | 0.465 | 36% | 0.363 | S | S | . | . | trans | -93.9 | 163.1 | 177.6 | -49.8 | -82.9 | 0 | 0 | 0 | 110.9 | A1639 D1640 | N1637-A1639 PolarHBondContact O-N 3.31Å; N1637-D1640 WeakPolarHBondContact CA-OD2 3.44Å; N1637-D1640 WeakPolarHBondContact CB-OD2 3.12Å; N1637-D1640 PolarHBondContact N-OD2 3.47Å; N1637-D1640 PolarHBondContact ND2-OD2 2.95Å; N1637-D1640 PolarHBondContact O-N 3.42Å | ||
| 1638 | K | 71.4 | Confident | 76.3 | Confident | 182 Ų | 182 | 67.7 Ų | 67.7 | 79% | 0.791 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -14.3 | 176 | -93.9 | -166.5 | 172.5 | -169.5 | 0 | 115.4 | P1613 | P1613-K1638 HydrophobicContact CB-CB 4.44Å; P1613-K1638 HydrophobicContact CB-CG 3.67Å; P1613-K1638 HydrophobicContact CG-CG 3.83Å |
| 1639 | A | 71.1 | Confident | 77 | Confident | 80 Ų | 80 | 58.2 Ų | 58.2 | 66% | 0.661 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -15.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1637 | N1637-A1639 PolarHBondContact O-N 3.31Š|
| 1640 | D | 70.5 | Confident | 77.7 | Confident | 46 Ų | 46 | 59.3 Ų | 59.3 | 25% | 0.246 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -25 | 177 | -57.3 | -53.7 | 0 | 0 | 0 | 111.3 | V1636 N1637 Y1674 | V1636-D1640 HydrophobicContact CG1-CB 3.85Å; N1637-D1640 WeakPolarHBondContact CA-OD2 3.44Å; N1637-D1640 WeakPolarHBondContact CB-OD2 3.12Å; N1637-D1640 PolarHBondContact N-OD2 3.47Å; N1637-D1640 PolarHBondContact ND2-OD2 2.95Å; N1637-D1640 PolarHBondContact O-N 3.42Å; D1640-Y1674 HydrophobicContact CB-CD2 4.04Å; D1640-Y1674 HydrophobicContact CB-CE2 4.34Å; D1640-Y1674 WeakPolarHBondContact O-CB 3.29Å; D1640-Y1674 WeakPolarHBondContact O-CD2 3.27Å; D1640-Y1674 PolarHBondContact O-N 2.9Å |
| 1641 | V | 72.9 | Confident | 77.8 | Confident | 28 Ų | 28 | 60.5 Ų | 60.5 | 17% | 0.17 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -72.2 | 134.9 | 176.3 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | R1611 E1612 P1613 V1636 D1643 | R1611-V1641 WeakPolarHBondContact O-CG1 3.23Å; E1612-V1641 WeakPolarHBondContact O-CG2 3.28Å; P1613-V1641 HydrophobicContact CB-CG2 4.15Å; V1636-V1641 HydrophobicContact CG1-CG2 3.87Å; V1641-D1643 PolarHBondContact O-N 3.43Å |
| 1642 | G | 70.8 | Confident | 78.1 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 14% | 0.144 | 35% | 0.351 | C | S | . | . | trans | -63.5 | 127.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A1672 Y1674 | G1642-A1672 CarbonylContact C-O 3.59Å; G1642-A1672 VanDerWaalsContact CA-O 3.29Å; G1642-A1672 WeakPolarHBondContact CA-O 3.34Å; G1642-Y1674 WeakPolarHBondContact CA-O 3.43Å; G1642-Y1674 PolarHBondContact N-O 3.21Å | ||
| 1643 | D | 76.5 | Confident | 78.2 | Confident | 52 Ų | 52 | 58.2 Ų | 58.2 | 28% | 0.278 | 34% | 0.343 | S | S | . | . | trans | -126.3 | 94 | -178.4 | 178.2 | -1.2 | 0 | 0 | 0 | 110.3 | V1641 S1645 K1646 A1672 | V1641-D1643 PolarHBondContact O-N 3.43Å; D1643-S1645 PolarHBondContact O-N 3.29Å; D1643-S1645 VanDerWaalsContact OD1-CB 3.31Å; D1643-S1645 WeakPolarHBondContact OD1-CB 3.41Å; D1643-S1645 PolarHBondContact OD1-N 3.4Å; D1643-S1645 VanDerWaalsContact OD1-N 3.12Å; D1643-S1645 PolarHBondContact OD1-OG 3.06Å; D1643-S1645 PolarHBondContact OD2-OG 3.01Å; D1643-K1646 PolarHBondContact O-N 2.77Å; D1643-K1646 VanDerWaalsContact OD2-CE 3.24Å; D1643-K1646 WeakPolarHBondContact OD2-CE 3.04Å; D1643-K1646 IonicContact OD2-NZ 2.71Å; D1643-K1646 PolarHBondContact OD2-NZ 2.92Å; D1643-A1672 PolarHBondContact N-O 3.19Å; D1643-A1672 VanDerWaalsContact O-CB 3.28Å; D1643-A1672 WeakPolarHBondContact O-CB 3.35Å | ||
| 1644 | A | 76.9 | Confident | 78.2 | Confident | 6 Ų | 6 | 55.7 Ų | 55.7 | 5% | 0.05 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -57.3 | -24.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | K1646 V1647 F1717 H1720 H1721 V1722 P1723 | A1644-K1646 PolarHBondContact O-N 2.79Å; A1644-K1646 VanDerWaalsContact O-N 3.09Å; A1644-V1647 PolarHBondContact O-N 3.22Å; A1644-V1647 VanDerWaalsContact O-N 3.1Å; A1644-F1717 HydrophobicContact CB-CB 4.18Å; A1644-F1717 WeakPolarHBondContact CB-O 3.39Å; A1644-H1720 HydrophobicContact CB-CB 3.69Å; A1644-H1721 WeakPolarHBondContact CB-O 3.44Å; A1644-V1722 HydrophobicContact CB-CG1 4.31Å; A1644-P1723 WeakPolarHBondContact O-CD 3.47Å |
| 1645 | S | 76.4 | Confident | 78.2 | Confident | 82 Ų | 82 | 61.5 Ų | 61.5 | 57% | 0.573 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -63.7 | -16.4 | -179.1 | 75.7 | 0 | 0 | 0 | 0 | 113.5 | D1643 P1723 | D1643-S1645 PolarHBondContact O-N 3.29Å; D1643-S1645 VanDerWaalsContact OD1-CB 3.31Å; D1643-S1645 WeakPolarHBondContact OD1-CB 3.41Å; D1643-S1645 PolarHBondContact OD1-N 3.4Å; D1643-S1645 VanDerWaalsContact OD1-N 3.12Å; D1643-S1645 PolarHBondContact OD1-OG 3.06Å; D1643-S1645 PolarHBondContact OD2-OG 3.01Å; S1645-P1723 WeakPolarHBondContact O-CG 3.34Å |
| 1646 | K | 82.3 | Confident | 78.1 | Confident | 101 Ų | 101 | 59.9 Ų | 59.9 | 44% | 0.439 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -102.5 | 3 | 179.3 | -59.4 | -178.7 | -175.9 | 119.7 | 0 | 114.2 | D1643 A1644 S1671 A1672 | D1643-K1646 PolarHBondContact O-N 2.77Å; D1643-K1646 VanDerWaalsContact OD2-CE 3.24Å; D1643-K1646 WeakPolarHBondContact OD2-CE 3.04Å; D1643-K1646 IonicContact OD2-NZ 2.71Å; D1643-K1646 PolarHBondContact OD2-NZ 2.92Å; A1644-K1646 PolarHBondContact O-N 2.79Å; A1644-K1646 VanDerWaalsContact O-N 3.09Å; K1646-S1671 WeakPolarHBondContact CD-O 3.25Å; K1646-A1672 HydrophobicContact CB-CB 4.27Å |
| 1647 | V | 82.2 | Confident | 78.5 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.006 | 34% | 0.343 | C | S | . | . | trans | -84.2 | 137.2 | 174.7 | 179.4 | 0 | 0 | 0 | 0 | 109.7 | A1644 V1667 D1668 T1669 A1672 F1717 V1722 P1723 | A1644-V1647 PolarHBondContact O-N 3.22Å; A1644-V1647 VanDerWaalsContact O-N 3.1Å; V1647-V1667 HydrophobicContact CG1-CG1 3.5Å; V1647-D1668 VanDerWaalsContact CA-O 3.29Å; V1647-D1668 WeakPolarHBondContact CA-O 3.16Å; V1647-D1668 WeakPolarHBondContact CG1-O 3.47Å; V1647-T1669 HydrophobicContact CG1-CG2 4.2Å; V1647-T1669 HydrophobicContact CG2-CG2 4.3Å; V1647-A1672 HydrophobicContact CG2-CB 3.47Å; V1647-A1672 VanDerWaalsContact CG2-CB 3.47Å; V1647-F1717 HydrophobicContact CG2-CB 3.66Å; V1647-F1717 HydrophobicContact CG2-CD1 3.84Å; V1647-F1717 HydrophobicContact CG2-CD2 4.23Å; V1647-F1717 HydrophobicContact CG2-CG 3.64Å; V1647-V1722 HydrophobicContact CB-CB 3.94Å; V1647-V1722 HydrophobicContact CB-CG1 3.63Å; V1647-V1722 HydrophobicContact CG1-CB 4.07Å; V1647-V1722 HydrophobicContact CG1-CG1 3.65Å; V1647-V1722 HydrophobicContact CG2-CG1 4.13Å; V1647-P1723 WeakPolarHBondContact O-CD 3.05Å | ||
| 1648 | V | 85.7 | Confident | 78.5 | Confident | 78 Ų | 78 | 59.3 Ų | 59.3 | 47% | 0.473 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 138 | -179.2 | -174.5 | 0 | 0 | 0 | 0 | 109.8 | T1650 V1667 D1668 | V1648-T1650 HydrophobicContact CG1-CG2 4.19Å; V1648-V1667 CarbonylContact O-C 3.57Å; V1648-V1667 WeakPolarHBondContact O-CA 3.09Å; V1648-D1668 HydrophobicContact CB-CB 4.29Å; V1648-D1668 PolarHBondContact N-O 2.86Å; V1648-D1668 PolarHBondContact O-N 2.67Å |
| 1649 | V | 87.3 | Confident | 78.2 | Confident | 17 Ų | 17 | 51.2 Ų | 51.2 | 10% | 0.103 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 133.3 | 178 | -167.1 | 0 | 0 | 0 | 0 | 110.2 | I1654 F1665 V1666 V1667 V1715 V1722 F1727 | V1649-I1654 HydrophobicContact CG1-CD1 4.37Å; V1649-I1654 HydrophobicContact CG1-CG2 3.83Å; V1649-F1665 HydrophobicContact CG1-CD2 3.65Å; V1649-F1665 HydrophobicContact CG1-CE2 4.06Å; V1649-V1666 WeakPolarHBondContact CA-O 3.31Å; V1649-V1666 WeakPolarHBondContact CG1-O 3.48Å; V1649-V1667 HydrophobicContact CG1-CG2 4.23Å; V1649-V1667 HydrophobicContact CG2-CG1 4.36Å; V1649-V1667 HydrophobicContact CG2-CG2 4.34Å; V1649-V1715 HydrophobicContact CG2-CB 4.48Å; V1649-V1715 HydrophobicContact CG2-CG1 4.23Å; V1649-V1722 HydrophobicContact CG2-CG2 3.65Å; V1649-F1727 HydrophobicContact CB-CE1 4.5Å; V1649-F1727 HydrophobicContact CB-CE2 4.03Å; V1649-F1727 HydrophobicContact CB-CZ 3.67Å; V1649-F1727 HydrophobicContact CG1-CE2 4.14Å; V1649-F1727 HydrophobicContact CG1-CZ 4.17Å; V1649-F1727 HydrophobicContact CG2-CE2 3.94Å; V1649-F1727 HydrophobicContact CG2-CZ 3.83Å |
| 1650 | T | 85.4 | Confident | 77.9 | Confident | 77 Ų | 77 | 52 Ų | 52 | 47% | 0.472 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 163.1 | -175.8 | 63 | 0 | 0 | 0 | 0 | 112.1 | V1648 F1665 V1666 | V1648-T1650 HydrophobicContact CG1-CG2 4.19Å; T1650-F1665 CarbonylContact O-C 3.54Å; T1650-F1665 WeakPolarHBondContact O-CA 3.31Å; T1650-F1665 WeakPolarHBondContact O-CB 3.25Å; T1650-V1666 PolarHBondContact N-O 3Å; T1650-V1666 PolarHBondContact O-N 3.14Å |
| 1651 | G | 80.1 | Confident | 78.3 | Confident | 44 Ų | 44 | 54.9 Ų | 54.9 | 45% | 0.454 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 120.9 | 172.1 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1652 | A | 80.6 | Confident | 78.7 | Confident | 60 Ų | 60 | 58.2 Ų | 58.2 | 50% | 0.496 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -77.3 | -37.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1654 K1655 Q1656 | A1652-I1654 PolarHBondContact O-N 2.92Å; A1652-K1655 PolarHBondContact O-N 3.39Å; A1652-Q1656 PolarHBondContact O-N 2.99Å; A1652-Q1656 VanDerWaalsContact O-N 3.16Å |
| 1653 | G | 82.6 | Confident | 79.6 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -67.7 | 5.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | T1664 Y1703 I1729 | G1653-T1664 WeakPolarHBondContact CA-O 3.3Å; G1653-T1664 PolarHBondContact N-O 3.3Å; G1653-Y1703 WeakPolarHBondContact O-CE1 3.44Å; G1653-Y1703 PolarHBondContact O-OH 2.78Å; G1653-I1729 WeakPolarHBondContact O-CD1 3.16Å; G1653-I1729 WeakPolarHBondContact O-CG1 3.2Å |
| 1654 | I | 83 | Confident | 80.2 | Confident | 14 Ų | 14 | 59.4 Ų | 59.4 | 7% | 0.072 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -98.3 | 3.1 | 168.1 | 75.5 | -171.5 | 0 | 0 | 0 | 113.2 | V1649 A1652 F1665 L1713 F1727 | V1649-I1654 HydrophobicContact CG1-CD1 4.37Å; V1649-I1654 HydrophobicContact CG1-CG2 3.83Å; A1652-I1654 PolarHBondContact O-N 2.92Å; I1654-F1665 HydrophobicContact CG2-CB 3.45Å; I1654-F1665 VanDerWaalsContact CG2-CB 3.45Å; I1654-F1665 HydrophobicContact CG2-CD1 4.13Å; I1654-F1665 HydrophobicContact CG2-CD2 3.79Å; I1654-F1665 HydrophobicContact CG2-CG 3.54Å; I1654-L1713 HydrophobicContact CB-CD2 4.29Å; I1654-L1713 HydrophobicContact CG2-CD2 3.81Å; I1654-F1727 HydrophobicContact CB-CB 4.25Å; I1654-F1727 HydrophobicContact CB-CD1 4.18Å; I1654-F1727 HydrophobicContact CB-CG 4.13Å; I1654-F1727 HydrophobicContact CD1-CD1 4.25Å; I1654-F1727 HydrophobicContact CD1-CE1 4.18Å; I1654-F1727 HydrophobicContact CG1-CD1 4.38Å |
| 1655 | K | 77.5 | Confident | 80.9 | Confident | 147 Ų | 147 | 59.2 Ų | 59.2 | 64% | 0.639 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.3 | -39.3 | -179 | -63.4 | -178.8 | -176.4 | 172.6 | 0 | 113.8 | A1652 I1729 H1730 | A1652-K1655 PolarHBondContact O-N 3.39Å; K1655-I1729 WeakPolarHBondContact O-CA 3.26Å; K1655-H1730 PolarHBondContact O-N 2.81Å |
| 1656 | Q | 79 | Confident | 81.5 | Confident | 130 Ų | 130 | 57 Ų | 57 | 61% | 0.607 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 148.5 | -174.6 | 67.8 | -171.1 | 32.3 | 0 | 0 | 110.9 | A1652 H1730 | A1652-Q1656 PolarHBondContact O-N 2.99Å; A1652-Q1656 VanDerWaalsContact O-N 3.16Å; Q1656-H1730 CarbonylContact C-O 3.41Å; Q1656-H1730 VanDerWaalsContact CA-O 3.31Å; Q1656-H1730 WeakPolarHBondContact CA-O 3.44Å |
| 1657 | A | 81.6 | Confident | 81.7 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 5% | 0.05 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 156.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | N1663 Y1703 P1705 I1729 H1730 C1731 E1732 | A1657-N1663 WeakPolarHBondContact CA-OD1 3.25Å; A1657-N1663 HydrophobicContact CB-CB 4.22Å; A1657-N1663 WeakPolarHBondContact CB-OD1 3.36Å; A1657-Y1703 HydrophobicContact CB-CE2 4.08Å; A1657-P1705 HydrophobicContact CB-CG 4.43Å; A1657-I1729 HydrophobicContact CB-CG2 3.74Å; A1657-H1730 PolarHBondContact N-O 2.84Å; A1657-C1731 HydrophobicContact CB-CB 4.11Å; A1657-C1731 VanDerWaalsContact O-CA 3.3Å; A1657-C1731 WeakPolarHBondContact O-CA 3.4Å; A1657-E1732 PolarHBondContact O-N 3.25Å |
| 1658 | L | 73.8 | Confident | 81.9 | Confident | 78 Ų | 78 | 53.7 Ų | 53.7 | 41% | 0.408 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 137.9 | 168.5 | -69.7 | 176.9 | 0 | 0 | 0 | 111.1 | E1661 N1663 E1732 | L1658-E1661 HydrophobicContact CB-CB 4.2Å; L1658-E1661 HydrophobicContact CB-CG 4.3Å; L1658-E1661 WeakPolarHBondContact CD1-OE2 3.5Å; L1658-N1663 PolarHBondContact N-OD1 2.82Å; L1658-N1663 PolarHBondContact O-ND2 3.21Å; L1658-E1732 HydrophobicContact CD2-CB 4.24Å |
| 1659 | T | 66.1 | Low | 81.7 | Confident | 13 Ų | 13 | 50.6 Ų | 50.6 | 8% | 0.08 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 143.8 | 172.1 | 44.8 | 0 | 0 | 0 | 0 | 111.3 | E1661 P1705 P1708 E1732 G1733 K1734 | T1659-E1661 PolarHBondContact O-N 2.91Å; T1659-E1661 VanDerWaalsContact O-N 3.09Å; T1659-P1705 WeakPolarHBondContact CA-O 3.47Å; T1659-P1708 HydrophobicContact CG2-CB 4.1Å; T1659-P1708 VanDerWaalsContact CG2-N 3.32Å; T1659-E1732 WeakPolarHBondContact CB-O 3.28Å; T1659-E1732 WeakPolarHBondContact CG2-O 3.06Å; T1659-E1732 PolarHBondContact N-O 3.35Å; T1659-E1732 PolarHBondContact OG1-O 3.48Å; T1659-G1733 VanDerWaalsContact OG1-C 3.28Å; T1659-G1733 WeakPolarHBondContact OG1-CA 3.33Å; T1659-K1734 PolarHBondContact OG1-N 3.03Å |
| 1660 | Q | 65.7 | Low | 81.3 | Confident | 96 Ų | 96 | 55.8 Ų | 55.8 | 45% | 0.449 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | -0.6 | -179.4 | -43.5 | -173.3 | 27.8 | 0 | 0 | 115.2 | K1704 P1705 K1734 | Q1660-K1704 WeakPolarHBondContact O-CE 3.22Å; Q1660-K1704 PolarHBondContact O-NZ 3.27Å; Q1660-P1705 PolarHBondContact N-O 3.46Å; Q1660-K1734 PolarHBondContact NE2-O 2.86Å |
| 1661 | E | 78.9 | Confident | 81 | Confident | 107 Ų | 107 | 56.2 Ų | 56.2 | 50% | 0.5 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -104.9 | 168 | 175.6 | -65 | -170.3 | -179.7 | 0 | 0 | 113 | L1658 T1659 N1663 K1704 | L1658-E1661 HydrophobicContact CB-CB 4.2Å; L1658-E1661 HydrophobicContact CB-CG 4.3Å; L1658-E1661 WeakPolarHBondContact CD1-OE2 3.5Å; T1659-E1661 PolarHBondContact O-N 2.91Å; T1659-E1661 VanDerWaalsContact O-N 3.09Å; E1661-N1663 PolarHBondContact O-ND2 2.78Å; E1661-K1704 WeakPolarHBondContact O-CA 3.48Å; E1661-K1704 WeakPolarHBondContact O-CB 3.37Å; E1661-K1704 WeakPolarHBondContact O-CG 3.2Å |
| 1662 | V | 81.1 | Confident | 80.8 | Confident | 98 Ų | 98 | 54.2 Ų | 54.2 | 59% | 0.594 | 29% | 0.287 | S | S | * | . | trans | -95.8 | 120.4 | 175.7 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | T1664 K1704 | V1662-T1664 HydrophobicContact CG1-CG2 4.33Å; V1662-K1704 HydrophobicContact CG2-CD 4.35Å | ||
| 1663 | N | 88.5 | Confident | 80.5 | Confident | 19 Ų | 19 | 52.6 Ų | 52.6 | 10% | 0.102 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 138.2 | -173.3 | -60.4 | -90.3 | 0 | 0 | 0 | 109.3 | A1657 L1658 E1661 S1702 Y1703 P1705 | A1657-N1663 WeakPolarHBondContact CA-OD1 3.25Å; A1657-N1663 HydrophobicContact CB-CB 4.22Å; A1657-N1663 WeakPolarHBondContact CB-OD1 3.36Å; L1658-N1663 PolarHBondContact N-OD1 2.82Å; L1658-N1663 PolarHBondContact O-ND2 3.21Å; E1661-N1663 PolarHBondContact O-ND2 2.78Å; N1663-S1702 CarbonylContact O-C 3.44Å; N1663-S1702 WeakPolarHBondContact O-CA 3.5Å; N1663-Y1703 HydrophobicContact CB-CD2 4.11Å; N1663-Y1703 HydrophobicContact CB-CE1 4.14Å; N1663-Y1703 HydrophobicContact CB-CE2 3.64Å; N1663-Y1703 PolarHBondContact N-O 2.96Å; N1663-Y1703 PolarHBondContact O-N 3.48Å; N1663-P1705 VanDerWaalsContact ND2-CD 3.32Å; N1663-P1705 WeakPolarHBondContact ND2-CD 3.19Å |
| 1664 | T | 88.5 | Confident | 80.1 | Confident | 71 Ų | 71 | 57 Ų | 57 | 44% | 0.436 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 153.2 | -166.8 | 67 | 0 | 0 | 0 | 0 | 115.3 | G1653 V1662 V1701 | G1653-T1664 WeakPolarHBondContact CA-O 3.3Å; G1653-T1664 PolarHBondContact N-O 3.3Å; V1662-T1664 HydrophobicContact CG1-CG2 4.33Å; T1664-V1701 VanDerWaalsContact CA-O 3.28Å; T1664-V1701 WeakPolarHBondContact CA-O 3.26Å |
| 1665 | F | 91.6 | Very high | 79.5 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.009 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 173.2 | 171.8 | 69.8 | -89.1 | 0 | 0 | 0 | 111.6 | V1649 T1650 I1654 V1667 V1679 T1700 V1701 Y1703 L1713 V1715 | V1649-F1665 HydrophobicContact CG1-CD2 3.65Å; V1649-F1665 HydrophobicContact CG1-CE2 4.06Å; T1650-F1665 CarbonylContact O-C 3.54Å; T1650-F1665 WeakPolarHBondContact O-CA 3.31Å; T1650-F1665 WeakPolarHBondContact O-CB 3.25Å; I1654-F1665 HydrophobicContact CG2-CB 3.45Å; I1654-F1665 VanDerWaalsContact CG2-CB 3.45Å; I1654-F1665 HydrophobicContact CG2-CD1 4.13Å; I1654-F1665 HydrophobicContact CG2-CD2 3.79Å; I1654-F1665 HydrophobicContact CG2-CG 3.54Å; F1665-V1667 HydrophobicContact CD2-CG2 4.15Å; F1665-V1667 HydrophobicContact CE2-CG2 3.72Å; F1665-V1679 HydrophobicContact CZ-CG1 3.86Å; F1665-T1700 CarbonylContact O-C 3.59Å; F1665-T1700 WeakPolarHBondContact O-CA 3.43Å; F1665-V1701 HydrophobicContact CD1-CB 4.07Å; F1665-V1701 HydrophobicContact CD1-CG1 4.39Å; F1665-V1701 HydrophobicContact CD2-CB 4.27Å; F1665-V1701 HydrophobicContact CD2-CG2 4.48Å; F1665-V1701 HydrophobicContact CE1-CB 3.58Å; F1665-V1701 HydrophobicContact CE1-CG1 3.55Å; F1665-V1701 HydrophobicContact CE1-CG2 4.38Å; F1665-V1701 HydrophobicContact CE2-CB 3.82Å; F1665-V1701 HydrophobicContact CE2-CG1 4.43Å; F1665-V1701 HydrophobicContact CE2-CG2 3.79Å; F1665-V1701 HydrophobicContact CG-CB 4.39Å; F1665-V1701 HydrophobicContact CZ-CB 3.44Å; F1665-V1701 VanDerWaalsContact CZ-CB 3.44Å; F1665-V1701 HydrophobicContact CZ-CG1 3.57Å; F1665-V1701 HydrophobicContact CZ-CG2 3.72Å; F1665-V1701 PolarHBondContact N-O 2.88Å; F1665-V1701 PolarHBondContact O-N 2.87Å; F1665-Y1703 HydrophobicContact CD1-CD1 4.41Å; F1665-Y1703 HydrophobicContact CD1-CE1 4.07Å; F1665-Y1703 HydrophobicContact CE1-CD1 4.22Å; F1665-Y1703 HydrophobicContact CE1-CE1 4.16Å; F1665-L1713 HydrophobicContact CD1-CD2 3.95Å; F1665-L1713 HydrophobicContact CD2-CD2 4.47Å; F1665-L1713 HydrophobicContact CE1-CD1 3.88Å; F1665-L1713 HydrophobicContact CE1-CD2 3.49Å; F1665-L1713 VanDerWaalsContact CE1-CD2 3.49Å; F1665-L1713 HydrophobicContact CE1-CG 4.33Å; F1665-L1713 HydrophobicContact CE2-CD2 4.07Å; F1665-L1713 HydrophobicContact CG-CD2 4.42Å; F1665-L1713 HydrophobicContact CZ-CD1 3.69Å; F1665-L1713 HydrophobicContact CZ-CD2 3.56Å; F1665-L1713 HydrophobicContact CZ-CG 4.17Å; F1665-V1715 HydrophobicContact CE2-CG2 4.02Å; F1665-V1715 HydrophobicContact CZ-CG2 4.29Å |
| 1666 | V | 89 | Confident | 79.2 | Confident | 37 Ų | 37 | 50.3 Ų | 50.3 | 22% | 0.224 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 138.8 | -174.6 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | V1649 T1650 T1698 S1699 | V1649-V1666 WeakPolarHBondContact CA-O 3.31Å; V1649-V1666 WeakPolarHBondContact CG1-O 3.48Å; T1650-V1666 PolarHBondContact N-O 3Å; T1650-V1666 PolarHBondContact O-N 3.14Å; V1666-T1698 HydrophobicContact CG1-CG2 4.31Å; V1666-T1698 VanDerWaalsContact CG1-OG1 3.3Å; V1666-T1698 WeakPolarHBondContact CG1-OG1 3.32Å; V1666-S1699 CarbonylContact C-O 3.59Å; V1666-S1699 WeakPolarHBondContact CA-O 3.5Å |
| 1667 | V | 88 | Confident | 79.1 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 124.7 | 176.7 | -174.3 | 0 | 0 | 0 | 0 | 110.8 | V1647 V1648 V1649 F1665 T1669 L1677 T1698 S1699 V1701 V1715 | V1647-V1667 HydrophobicContact CG1-CG1 3.5Å; V1648-V1667 CarbonylContact O-C 3.57Å; V1648-V1667 WeakPolarHBondContact O-CA 3.09Å; V1649-V1667 HydrophobicContact CG1-CG2 4.23Å; V1649-V1667 HydrophobicContact CG2-CG1 4.36Å; V1649-V1667 HydrophobicContact CG2-CG2 4.34Å; F1665-V1667 HydrophobicContact CD2-CG2 4.15Å; F1665-V1667 HydrophobicContact CE2-CG2 3.72Å; V1667-T1669 HydrophobicContact CG1-CG2 4.15Å; V1667-L1677 HydrophobicContact CB-CD2 4.07Å; V1667-L1677 HydrophobicContact CG1-CD1 3.87Å; V1667-L1677 HydrophobicContact CG1-CD2 3.93Å; V1667-L1677 HydrophobicContact CG2-CD2 4.44Å; V1667-T1698 CarbonylContact O-C 3.51Å; V1667-T1698 WeakPolarHBondContact O-CA 3.35Å; V1667-T1698 WeakPolarHBondContact O-CB 3.34Å; V1667-S1699 PolarHBondContact N-O 2.69Å; V1667-S1699 PolarHBondContact O-N 2.75Å; V1667-V1701 HydrophobicContact CG2-CG2 4.47Å; V1667-V1715 HydrophobicContact CG1-CG1 4.26Å; V1667-V1715 HydrophobicContact CG2-CG1 4.11Å |
| 1668 | D | 86.1 | Confident | 78.8 | Confident | 32 Ų | 32 | 45.2 Ų | 45.2 | 17% | 0.171 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 111.7 | 174.3 | -178.2 | 0.3 | 0 | 0 | 0 | 111.1 | V1647 V1648 R1670 T1698 | V1647-D1668 VanDerWaalsContact CA-O 3.29Å; V1647-D1668 WeakPolarHBondContact CA-O 3.16Å; V1647-D1668 WeakPolarHBondContact CG1-O 3.47Å; V1648-D1668 HydrophobicContact CB-CB 4.29Å; V1648-D1668 PolarHBondContact N-O 2.86Å; V1648-D1668 PolarHBondContact O-N 2.67Å; D1668-R1670 VanDerWaalsContact CG-NE 3.33Å; D1668-R1670 VanDerWaalsContact OD1-CB 3.27Å; D1668-R1670 WeakPolarHBondContact OD1-CB 3.31Å; D1668-R1670 WeakPolarHBondContact OD1-CG 3.43Å; D1668-R1670 IonicContact OD1-CZ 3.98Å; D1668-R1670 PolarHBondContact OD1-N 3.47Å; D1668-R1670 IonicContact OD1-NE 3.6Å; D1668-R1670 PolarHBondContact OD1-NE 2.76Å; D1668-R1670 IonicContact OD1-NH2 2.7Å; D1668-R1670 IonicContact OD2-CZ 3.2Å; D1668-R1670 IonicContact OD2-NE 3.79Å; D1668-R1670 PolarHBondContact OD2-NE 3.22Å; D1668-R1670 IonicContact OD2-NH2 3.72Å; D1668-R1670 PolarHBondContact OD2-NH2 3.3Å; D1668-T1698 HydrophobicContact CB-CG2 3.58Å |
| 1669 | T | 81.7 | Confident | 79.3 | Confident | 13 Ų | 13 | 41.6 Ų | 41.6 | 8% | 0.08 | 23% | 0.228 | C | C | . | . | trans | -100.1 | -1.3 | 179.1 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | V1647 V1667 S1671 A1672 L1677 F1717 | V1647-T1669 HydrophobicContact CG1-CG2 4.2Å; V1647-T1669 HydrophobicContact CG2-CG2 4.3Å; V1667-T1669 HydrophobicContact CG1-CG2 4.15Å; T1669-S1671 VanDerWaalsContact C-N 3.27Å; T1669-S1671 PolarHBondContact O-N 2.6Å; T1669-A1672 VanDerWaalsContact O-CB 3.29Å; T1669-A1672 WeakPolarHBondContact O-CB 3.28Å; T1669-A1672 PolarHBondContact O-N 2.83Å; T1669-L1677 HydrophobicContact CG2-CD2 4.33Å; T1669-F1717 HydrophobicContact CG2-CD2 3.61Å; T1669-F1717 HydrophobicContact CG2-CE2 3.63Å | ||
| 1670 | R | 78.6 | Confident | 79.8 | Confident | 126 Ų | 126 | 41.3 Ų | 41.3 | 48% | 0.475 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -33 | -164.4 | -69 | 175.6 | -72.5 | -153.1 | 7.7 | 115.1 | D1668 D1696 K1697 | D1668-R1670 VanDerWaalsContact CG-NE 3.33Å; D1668-R1670 VanDerWaalsContact OD1-CB 3.27Å; D1668-R1670 WeakPolarHBondContact OD1-CB 3.31Å; D1668-R1670 WeakPolarHBondContact OD1-CG 3.43Å; D1668-R1670 IonicContact OD1-CZ 3.98Å; D1668-R1670 PolarHBondContact OD1-N 3.47Å; D1668-R1670 IonicContact OD1-NE 3.6Å; D1668-R1670 PolarHBondContact OD1-NE 2.76Å; D1668-R1670 IonicContact OD1-NH2 2.7Å; D1668-R1670 IonicContact OD2-CZ 3.2Å; D1668-R1670 IonicContact OD2-NE 3.79Å; D1668-R1670 PolarHBondContact OD2-NE 3.22Å; D1668-R1670 IonicContact OD2-NH2 3.72Å; D1668-R1670 PolarHBondContact OD2-NH2 3.3Å; R1670-D1696 WeakPolarHBondContact CD-O 3.33Å; R1670-D1696 IonicContact CZ-OD2 2.78Å; R1670-D1696 PolarHBondContact NH1-O 2.86Å; R1670-D1696 IonicContact NH1-OD2 3.45Å; R1670-D1696 PolarHBondContact NH1-OD2 3.36Å; R1670-K1697 HydrophobicContact CG-CB 3.84Å |
| 1671 | S | 78.1 | Confident | 80.3 | Confident | 85 Ų | 85 | 36.9 Ų | 36.9 | 59% | 0.594 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88 | -6.4 | -179.2 | -62.6 | 0 | 0 | 0 | 0 | 113.7 | K1646 T1669 | K1646-S1671 WeakPolarHBondContact CD-O 3.25Å; T1669-S1671 VanDerWaalsContact C-N 3.27Å; T1669-S1671 PolarHBondContact O-N 2.6Å |
| 1672 | A | 76.8 | Confident | 79.6 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 2% | 0.017 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -93.3 | -4.3 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | G1642 D1643 K1646 V1647 T1669 F1717 | G1642-A1672 CarbonylContact C-O 3.59Å; G1642-A1672 VanDerWaalsContact CA-O 3.29Å; G1642-A1672 WeakPolarHBondContact CA-O 3.34Å; D1643-A1672 PolarHBondContact N-O 3.19Å; D1643-A1672 VanDerWaalsContact O-CB 3.28Å; D1643-A1672 WeakPolarHBondContact O-CB 3.35Å; K1646-A1672 HydrophobicContact CB-CB 4.27Å; V1647-A1672 HydrophobicContact CG2-CB 3.47Å; V1647-A1672 VanDerWaalsContact CG2-CB 3.47Å; T1669-A1672 VanDerWaalsContact O-CB 3.29Å; T1669-A1672 WeakPolarHBondContact O-CB 3.28Å; T1669-A1672 PolarHBondContact O-N 2.83Å; A1672-F1717 HydrophobicContact CB-CD1 3.74Å; A1672-F1717 HydrophobicContact CB-CE1 3.4Å; A1672-F1717 HydrophobicContact CB-CZ 4Å |
| 1673 | G | 73.5 | Confident | 78.5 | Confident | 26 Ų | 26 | 29.1 Ų | 29.1 | 27% | 0.268 | 16% | 0.163 | S | C | . | . | trans | 83.1 | -154.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1717 | G1673-F1717 WeakPolarHBondContact O-CZ 3.36Š| ||
| 1674 | Y | 74.1 | Confident | 76.7 | Confident | 95 Ų | 95 | 28.5 Ų | 28.5 | 37% | 0.373 | 16% | 0.161 | S | C | . | . | B | Isolated β-bridge | trans | -97.7 | 134.3 | 178.8 | -62.4 | -80.6 | 0 | 0 | 0 | 110.9 | S1564 T1565 P1610 D1640 G1642 | S1564-Y1674 CarbonylContact O-C 3.55Å; S1564-Y1674 WeakPolarHBondContact O-CA 3.22Å; S1564-Y1674 WeakPolarHBondContact O-CB 3.41Å; T1565-Y1674 WeakPolarHBondContact O-CD1 3.4Å; P1610-Y1674 VanDerWaalsContact CD-CB 3.43Å; P1610-Y1674 HydrophobicContact CG-CD2 4.37Å; P1610-Y1674 HydrophobicContact CG-CG 4.48Å; D1640-Y1674 HydrophobicContact CB-CD2 4.04Å; D1640-Y1674 HydrophobicContact CB-CE2 4.34Å; D1640-Y1674 WeakPolarHBondContact O-CB 3.29Å; D1640-Y1674 WeakPolarHBondContact O-CD2 3.27Å; D1640-Y1674 PolarHBondContact O-N 2.9Å; G1642-Y1674 WeakPolarHBondContact CA-O 3.43Å; G1642-Y1674 PolarHBondContact N-O 3.21Å |
| 1675 | G | 70.3 | Confident | 75.1 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.5 | 150.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1564 L1677 F1717 | S1564-G1675 WeakPolarHBondContact CA-O 3.39Å; S1564-G1675 WeakPolarHBondContact CB-O 3.3Å; S1564-G1675 PolarHBondContact N-O 3.49Å; S1564-G1675 PolarHBondContact O-N 3.36Å; G1675-L1677 PolarHBondContact O-N 2.94Å; G1675-F1717 VanDerWaalsContact CA-CZ 3.45Å; G1675-F1717 WeakPolarHBondContact O-CE2 3.33Å |
| 1676 | G | 71.2 | Confident | 73.6 | Confident | 21 Ų | 21 | 33.7 Ų | 33.7 | 22% | 0.216 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 115.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | F1717 A1718 | G1676-F1717 CarbonylContact O-C 3.49Å; G1676-F1717 WeakPolarHBondContact O-CA 3.43Å; G1676-A1718 PolarHBondContact O-N 2.9Å |
| 1677 | L | 78.5 | Confident | 72.6 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 121.5 | 163.5 | 170.8 | 57.9 | 0 | 0 | 0 | 107.3 | S1561 V1562 V1667 T1669 G1675 V1679 V1715 K1716 F1717 | S1561-L1677 CarbonylContact C-O 3.55Å; S1561-L1677 WeakPolarHBondContact CA-O 3.41Å; V1562-L1677 HydrophobicContact CG2-CB 4.03Å; V1562-L1677 HydrophobicContact CG2-CD2 3.85Å; V1562-L1677 HydrophobicContact CG2-CG 3.85Å; V1562-L1677 PolarHBondContact N-O 2.98Å; V1562-L1677 WeakPolarHBondContact O-CA 3.12Å; V1562-L1677 WeakPolarHBondContact O-CB 3.13Å; V1562-L1677 PolarHBondContact O-N 2.81Å; V1562-L1677 VanDerWaalsContact O-O 3.05Å; V1667-L1677 HydrophobicContact CB-CD2 4.07Å; V1667-L1677 HydrophobicContact CG1-CD1 3.87Å; V1667-L1677 HydrophobicContact CG1-CD2 3.93Å; V1667-L1677 HydrophobicContact CG2-CD2 4.44Å; T1669-L1677 HydrophobicContact CG2-CD2 4.33Å; G1675-L1677 PolarHBondContact O-N 2.94Å; L1677-V1679 HydrophobicContact CD1-CG2 4.06Å; L1677-V1679 HydrophobicContact CG-CG2 4.26Å; L1677-V1715 HydrophobicContact CD1-CG1 3.64Å; L1677-K1716 CarbonylContact C-O 3.59Å; L1677-K1716 WeakPolarHBondContact CA-O 3.07Å; L1677-K1716 WeakPolarHBondContact CD1-O 3.28Å; L1677-F1717 HydrophobicContact CB-CD2 4.17Å |
| 1678 | S | 75.5 | Confident | 71.6 | Confident | 27 Ų | 27 | 37.8 Ų | 37.8 | 19% | 0.189 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 141.5 | 169.1 | 52.8 | 0 | 0 | 0 | 0 | 110.3 | I1560 S1561 K1716 | I1560-S1678 WeakPolarHBondContact O-CA 3.49Å; S1561-S1678 WeakPolarHBondContact OG-CB 3.42Å; S1678-K1716 PolarHBondContact N-O 2.9Å; S1678-K1716 PolarHBondContact O-N 2.81Å |
| 1679 | V | 83.7 | Confident | 71.2 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 122 | -176.3 | 178.8 | 0 | 0 | 0 | 0 | 107.5 | Q1559 I1560 F1665 L1677 V1701 L1713 S1714 V1715 | Q1559-V1679 CarbonylContact C-O 3.26Å; Q1559-V1679 VanDerWaalsContact CA-O 3.24Å; Q1559-V1679 WeakPolarHBondContact CA-O 3.34Å; I1560-V1679 HydrophobicContact CD1-CB 4.35Å; I1560-V1679 HydrophobicContact CG1-CB 3.92Å; I1560-V1679 PolarHBondContact N-O 3.43Å; I1560-V1679 PolarHBondContact O-N 2.67Å; F1665-V1679 HydrophobicContact CZ-CG1 3.86Å; L1677-V1679 HydrophobicContact CD1-CG2 4.06Å; L1677-V1679 HydrophobicContact CG-CG2 4.26Å; V1679-V1701 HydrophobicContact CG1-CG1 4.22Å; V1679-V1701 HydrophobicContact CG2-CG2 4.29Å; V1679-L1713 HydrophobicContact CG1-CD1 3.72Å; V1679-S1714 WeakPolarHBondContact CA-O 3.26Å; V1679-V1715 HydrophobicContact CG2-CG1 4.35Å; V1679-V1715 HydrophobicContact CG2-CG2 4.4Å |
| 1680 | S | 76.9 | Confident | 70.8 | Confident | 8 Ų | 8 | 41.8 Ų | 41.8 | 6% | 0.056 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 128.8 | 172.6 | 65.9 | 0 | 0 | 0 | 0 | 111.3 | A1558 S1714 | A1558-S1680 CarbonylContact O-C 3.59Å; A1558-S1680 WeakPolarHBondContact O-CA 3.4Å; A1558-S1680 WeakPolarHBondContact O-CB 3.32Å; S1680-S1714 PolarHBondContact N-O 2.89Å; S1680-S1714 PolarHBondContact O-N 2.95Å |
| 1681 | L | 75.3 | Confident | 70.6 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 136.7 | 175.8 | -174.5 | 67.6 | 0 | 0 | 0 | 109.2 | R1557 A1558 C1687 I1689 Y1703 Y1711 L1713 I1729 | R1557-L1681 WeakPolarHBondContact CA-O 3.45Å; A1558-L1681 PolarHBondContact N-O 2.93Å; A1558-L1681 PolarHBondContact O-N 2.72Å; L1681-C1687 HydrophobicContact CD2-CB 3.87Å; L1681-C1687 VanDerWaalsContact CD2-SG 3.6Å; L1681-I1689 HydrophobicContact CB-CD1 3.67Å; L1681-I1689 HydrophobicContact CB-CG1 4.31Å; L1681-Y1703 HydrophobicContact CD2-CD1 3.89Å; L1681-Y1703 HydrophobicContact CD2-CD2 3.22Å; L1681-Y1703 HydrophobicContact CD2-CE1 4.25Å; L1681-Y1703 HydrophobicContact CD2-CE2 3.66Å; L1681-Y1703 HydrophobicContact CD2-CG 3.36Å; L1681-Y1711 HydrophobicContact CD1-CD1 4.39Å; L1681-Y1711 HydrophobicContact CD2-CD1 4.42Å; L1681-Y1711 HydrophobicContact CG-CD1 4.14Å; L1681-L1713 HydrophobicContact CB-CD1 4.44Å; L1681-L1713 HydrophobicContact CD1-CB 3.88Å; L1681-L1713 HydrophobicContact CD1-CD1 4.22Å; L1681-I1729 HydrophobicContact CD1-CD1 3.64Å |
| 1682 | E | 64.7 | Low | 70.4 | Confident | 42 Ų | 42 | 41.2 Ų | 41.2 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 113.3 | -161.6 | -130.8 | -167.8 | 69.5 | 0 | 0 | 109.1 | R1555 R1557 Y1711 A1712 | R1555-E1682 HydrophobicContact CB-CB 4.04Å; R1555-E1682 HydrophobicContact CB-CG 3.64Å; R1555-E1682 WeakPolarHBondContact CD-O 3.45Å; R1555-E1682 VanDerWaalsContact CD-OE1 3.27Å; R1555-E1682 WeakPolarHBondContact CD-OE1 3.19Å; R1555-E1682 PolarHBondContact NE-O 3.21Å; R1557-E1682 HydrophobicContact CB-CG 3.69Å; R1557-E1682 WeakPolarHBondContact CD-OE2 3.49Å; R1557-E1682 HydrophobicContact CG-CG 3.85Å; R1557-E1682 IonicContact CZ-OE2 3.76Å; R1557-E1682 IonicContact NH1-OE2 2.69Å; R1557-E1682 PolarHBondContact NH1-OE2 2.91Å; E1682-Y1711 CarbonylContact O-C 3.5Å; E1682-Y1711 WeakPolarHBondContact O-CA 3.47Å; E1682-A1712 HydrophobicContact CB-CB 4.4Å; E1682-A1712 WeakPolarHBondContact CB-O 3.28Å; E1682-A1712 PolarHBondContact N-O 2.99Å; E1682-A1712 PolarHBondContact O-N 2.81Å |
| 1683 | G | 57.3 | Low | 70 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -175.6 | -163.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1555 K1556 S1685 Y1711 | R1555-G1683 CarbonylContact C-O 3.53Å; R1555-G1683 WeakPolarHBondContact CA-O 3.32Å; K1556-G1683 PolarHBondContact N-O 2.57Å; G1683-S1685 VanDerWaalsContact C-N 3.31Å; G1683-S1685 PolarHBondContact O-N 3.12Å; G1683-Y1711 VanDerWaalsContact CA-CD1 3.45Å |
| 1684 | P | 51.2 | Low | 69.8 | Low | 7 Ų | 7 | 46.8 Ų | 46.8 | 5% | 0.045 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -45.1 | -49.3 | -174.7 | -16.1 | 5.8 | 0 | 0 | 0 | 115 | E1553 K1556 E1707 P1708 Y1711 | E1553-P1684 HydrophobicContact CB-CB 4.14Å; E1553-P1684 HydrophobicContact CB-CG 4.35Å; E1553-P1684 HydrophobicContact CG-CB 3.81Å; E1553-P1684 HydrophobicContact CG-CG 4.02Å; E1553-P1684 WeakPolarHBondContact OE2-CD 3.32Å; E1553-P1684 WeakPolarHBondContact OE2-CG 3.41Å; K1556-P1684 WeakPolarHBondContact CD-O 3.44Å; P1684-E1707 HydrophobicContact CB-CB 3.84Å; P1684-P1708 WeakPolarHBondContact CG-O 3.44Å; P1684-Y1711 HydrophobicContact CG-CD2 4.48Å; P1684-Y1711 HydrophobicContact CG-CE2 3.72Å |
| 1685 | S | 54.1 | Low | 69.1 | Low | 7 Ų | 7 | 45.5 Ų | 45.5 | 5% | 0.049 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -113.1 | 149.6 | -178.8 | 70.2 | 0 | 0 | 0 | 0 | 112.3 | G1683 C1687 Y1706 E1707 Y1711 | G1683-S1685 VanDerWaalsContact C-N 3.31Å; G1683-S1685 PolarHBondContact O-N 3.12Å; S1685-C1687 PolarHBondContact O-N 3.2Å; S1685-C1687 VanDerWaalsContact O-N 3.08Å; S1685-Y1706 PolarHBondContact OG-N 3.39Å; S1685-E1707 PolarHBondContact OG-N 2.87Å; S1685-Y1711 PolarHBondContact N-OH 2.75Å; S1685-Y1711 VanDerWaalsContact N-OH 3.13Å; S1685-Y1711 WeakPolarHBondContact O-CE1 3.46Å; S1685-Y1711 PolarHBondContact OG-OH 3.04Å |
| 1686 | R | 61.7 | Low | 69 | Low | 174 Ų | 174 | 47.7 Ų | 47.7 | 66% | 0.657 | 23% | 0.23 | S | C | * | . | trans | -72.5 | 103.8 | 171.4 | -166.5 | 179.8 | -177.9 | -144.5 | -4.3 | 108.7 | K1556 A1558 | K1556-R1686 HydrophobicContact CB-CB 3.99Å; K1556-R1686 WeakPolarHBondContact O-CA 3.33Å; A1558-R1686 HydrophobicContact CB-CG 4.33Å | ||
| 1687 | C | 67 | Low | 68.7 | Low | 6 Ų | 6 | 54.2 Ų | 54.2 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | trans | -70.7 | 148.3 | 170.8 | -58.2 | 0 | 0 | 0 | 0 | 109.9 | A1558 L1681 S1685 K1704 P1705 | A1558-C1687 WeakPolarHBondContact CB-O 3.31Å; L1681-C1687 HydrophobicContact CD2-CB 3.87Å; L1681-C1687 VanDerWaalsContact CD2-SG 3.6Å; S1685-C1687 PolarHBondContact O-N 3.2Å; S1685-C1687 VanDerWaalsContact O-N 3.08Å; C1687-K1704 WeakPolarHBondContact CA-O 3.33Å; C1687-P1705 VanDerWaalsContact SG-CA 3.52Å | ||
| 1688 | E | 68.1 | Low | 68.8 | Low | 118 Ų | 118 | 54.5 Ų | 54.5 | 55% | 0.551 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 147.5 | 152.9 | -161.5 | 179.9 | 133.1 | 0 | 0 | 108.4 | Q1690 Y1703 | E1688-Q1690 PolarHBondContact OE1-NE2 3.39Å; E1688-Y1703 VanDerWaalsContact O-CA 3.22Å; E1688-Y1703 WeakPolarHBondContact O-CA 3.14Å; E1688-Y1703 VanDerWaalsContact O-CB 3.3Å; E1688-Y1703 WeakPolarHBondContact O-CB 3.42Å |
| 1689 | I | 77.3 | Confident | 68.8 | Low | 16 Ų | 16 | 53.6 Ų | 53.6 | 8% | 0.082 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 121.5 | 173.9 | -48.2 | 175.8 | 0 | 0 | 0 | 107.9 | A1558 I1560 L1681 V1701 S1702 | A1558-I1689 HydrophobicContact CB-CD1 3.77Å; A1558-I1689 HydrophobicContact CB-CG1 3.85Å; A1558-I1689 WeakPolarHBondContact O-CD1 3.41Å; I1560-I1689 HydrophobicContact CD1-CB 4.46Å; I1560-I1689 HydrophobicContact CD1-CG2 3.65Å; I1560-I1689 HydrophobicContact CG1-CB 4.48Å; I1560-I1689 HydrophobicContact CG1-CG2 3.97Å; I1560-I1689 HydrophobicContact CG2-CB 4.32Å; L1681-I1689 HydrophobicContact CB-CD1 3.67Å; L1681-I1689 HydrophobicContact CB-CG1 4.31Å; I1689-V1701 HydrophobicContact CG2-CG1 3.48Å; I1689-V1701 VanDerWaalsContact CG2-CG1 3.48Å; I1689-S1702 WeakPolarHBondContact CA-O 3.45Å |
| 1690 | Q | 73 | Confident | 69 | Low | 112 Ų | 112 | 55.5 Ų | 55.5 | 52% | 0.523 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 147 | 174 | -60.9 | 175.9 | -2.6 | 0 | 0 | 108.9 | E1688 V1701 S1702 | E1688-Q1690 PolarHBondContact OE1-NE2 3.39Å; Q1690-V1701 WeakPolarHBondContact O-CA 3.33Å; Q1690-S1702 PolarHBondContact N-O 2.83Å; Q1690-S1702 PolarHBondContact O-N 3.28Å |
| 1691 | C | 74.3 | Confident | 69.5 | Low | 38 Ų | 38 | 55.1 Ų | 55.1 | 26% | 0.257 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 124.7 | 177.2 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | I1560 T1700 V1701 | I1560-C1691 HydrophobicContact CD1-CB 3.41Å; I1560-C1691 VanDerWaalsContact CD1-CB 3.41Å; C1691-T1700 CarbonylContact C-O 3.55Å; C1691-T1700 WeakPolarHBondContact CA-O 3.28Å; C1691-V1701 HydrophobicContact CB-CG2 4.41Å |
| 1692 | R | 73.4 | Confident | 70 | Confident | 161 Ų | 161 | 56.2 Ų | 56.2 | 61% | 0.608 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111 | 117 | 174.1 | -176.5 | 177.5 | -172.9 | 167 | 2.8 | 107.7 | E650 N1694 T1700 | E650-R1692 IonicContact OE1-NH2 2.8Å; E650-R1692 PolarHBondContact OE1-NH2 3.14Å; R1692-N1694 PolarHBondContact O-N 3.27Å; R1692-N1694 PolarHBondContact O-OD1 2.99Å; R1692-T1700 PolarHBondContact N-O 2.88Å; R1692-T1700 PolarHBondContact O-N 3.24Å |
| 1693 | D | 69 | Low | 71 | Confident | 107 Ų | 107 | 54.4 Ų | 54.4 | 57% | 0.572 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 126.2 | 171.1 | -70.2 | -35.9 | 0 | 0 | 0 | 109.4 | S1699 | D1693-S1699 WeakPolarHBondContact OD1-CB 3.37Å; D1693-S1699 PolarHBondContact OD1-OG 2.68Å |
| 1694 | N | 68.9 | Low | 72.2 | Confident | 39 Ų | 39 | 57.8 Ų | 57.8 | 21% | 0.209 | 27% | 0.27 | C | S | . | . | trans | -83.3 | 152.5 | -175.7 | -66.1 | -32.3 | 0 | 0 | 0 | 110.6 | R1692 D1696 K1697 T1698 T1700 | R1692-N1694 PolarHBondContact O-N 3.27Å; R1692-N1694 PolarHBondContact O-OD1 2.99Å; N1694-D1696 VanDerWaalsContact CB-OD1 3.29Å; N1694-D1696 WeakPolarHBondContact CB-OD1 3.47Å; N1694-D1696 PolarHBondContact O-N 3.35Å; N1694-K1697 PolarHBondContact O-N 3.43Å; N1694-T1698 WeakPolarHBondContact CA-O 3.49Å; N1694-T1698 VanDerWaalsContact CB-O 3.27Å; N1694-T1698 WeakPolarHBondContact CB-O 3.35Å; N1694-T1698 WeakPolarHBondContact CB-OG1 3.48Å; N1694-T1698 PolarHBondContact N-O 2.96Å; N1694-T1698 PolarHBondContact ND2-OG1 2.88Å; N1694-T1700 PolarHBondContact ND2-N 2.77Å; N1694-T1700 PolarHBondContact ND2-OG1 2.68Å; N1694-T1700 WeakPolarHBondContact OD1-CB 3.48Å; N1694-T1700 PolarHBondContact OD1-OG1 3.13Å | ||
| 1695 | K | 59.7 | Low | 73.2 | Confident | 67 Ų | 67 | 57.4 Ų | 57.4 | 29% | 0.291 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -34.6 | 177.4 | -64.5 | 173.2 | 164 | -174 | 0 | 111.9 | V547 A569 G571 K1697 | V547-K1695 HydrophobicContact CB-CB 4.21Å; V547-K1695 WeakPolarHBondContact CB-O 3.21Å; V547-K1695 WeakPolarHBondContact CG2-O 3.47Å; A569-K1695 PolarHBondContact O-NZ 2.84Å; G571-K1695 VanDerWaalsContact CA-CE 3.44Å; K1695-K1697 VanDerWaalsContact C-N 3.35Å; K1695-K1697 PolarHBondContact O-N 2.9Å |
| 1696 | D | 68.8 | Low | 73.7 | Confident | 47 Ų | 47 | 61.6 Ų | 61.6 | 25% | 0.251 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 9.8 | -177.6 | 77.6 | -29 | 0 | 0 | 0 | 115.5 | R1670 N1694 T1698 | R1670-D1696 WeakPolarHBondContact CD-O 3.33Å; R1670-D1696 IonicContact CZ-OD2 2.78Å; R1670-D1696 PolarHBondContact NH1-O 2.86Å; R1670-D1696 IonicContact NH1-OD2 3.45Å; R1670-D1696 PolarHBondContact NH1-OD2 3.36Å; N1694-D1696 VanDerWaalsContact CB-OD1 3.29Å; N1694-D1696 WeakPolarHBondContact CB-OD1 3.47Å; N1694-D1696 PolarHBondContact O-N 3.35Å; D1696-T1698 VanDerWaalsContact C-N 3.29Å; D1696-T1698 WeakPolarHBondContact OD1-CB 3.01Å; D1696-T1698 WeakPolarHBondContact OD1-CG2 3.47Å; D1696-T1698 PolarHBondContact OD1-N 3.42Å; D1696-T1698 VanDerWaalsContact OD1-N 3.07Å; D1696-T1698 PolarHBondContact OD1-OG1 2.91Å; D1696-T1698 WeakPolarHBondContact OD2-CG2 3.48Å |
| 1697 | K | 64.1 | Low | 73.7 | Confident | 158 Ų | 158 | 55.9 Ų | 55.9 | 69% | 0.687 | 26% | 0.264 | S | S | * | . | S | Bend | trans | 66 | 19.7 | -171.6 | -53.1 | -175.5 | 177.6 | -173.5 | 0 | 115.7 | R1670 N1694 K1695 | R1670-K1697 HydrophobicContact CG-CB 3.84Å; N1694-K1697 PolarHBondContact O-N 3.43Å; K1695-K1697 VanDerWaalsContact C-N 3.35Å; K1695-K1697 PolarHBondContact O-N 2.9Å |
| 1698 | T | 80 | Confident | 73.2 | Confident | 8 Ų | 8 | 57.9 Ų | 57.9 | 5% | 0.049 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 178.3 | 154.1 | 68.8 | 0 | 0 | 0 | 0 | 109.3 | V1666 V1667 D1668 N1694 D1696 | V1666-T1698 HydrophobicContact CG1-CG2 4.31Å; V1666-T1698 VanDerWaalsContact CG1-OG1 3.3Å; V1666-T1698 WeakPolarHBondContact CG1-OG1 3.32Å; V1667-T1698 CarbonylContact O-C 3.51Å; V1667-T1698 WeakPolarHBondContact O-CA 3.35Å; V1667-T1698 WeakPolarHBondContact O-CB 3.34Å; D1668-T1698 HydrophobicContact CB-CG2 3.58Å; N1694-T1698 WeakPolarHBondContact CA-O 3.49Å; N1694-T1698 VanDerWaalsContact CB-O 3.27Å; N1694-T1698 WeakPolarHBondContact CB-O 3.35Å; N1694-T1698 WeakPolarHBondContact CB-OG1 3.48Å; N1694-T1698 PolarHBondContact N-O 2.96Å; N1694-T1698 PolarHBondContact ND2-OG1 2.88Å; D1696-T1698 VanDerWaalsContact C-N 3.29Å; D1696-T1698 WeakPolarHBondContact OD1-CB 3.01Å; D1696-T1698 WeakPolarHBondContact OD1-CG2 3.47Å; D1696-T1698 PolarHBondContact OD1-N 3.42Å; D1696-T1698 VanDerWaalsContact OD1-N 3.07Å; D1696-T1698 PolarHBondContact OD1-OG1 2.91Å; D1696-T1698 WeakPolarHBondContact OD2-CG2 3.48Å |
| 1699 | S | 76.6 | Confident | 72.3 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 6% | 0.056 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 126.6 | 172.5 | -47.2 | 0 | 0 | 0 | 0 | 110.1 | V1666 V1667 D1693 | V1666-S1699 CarbonylContact C-O 3.59Å; V1666-S1699 WeakPolarHBondContact CA-O 3.5Å; V1667-S1699 PolarHBondContact N-O 2.69Å; V1667-S1699 PolarHBondContact O-N 2.75Å; D1693-S1699 WeakPolarHBondContact OD1-CB 3.37Å; D1693-S1699 PolarHBondContact OD1-OG 2.68Å |
| 1700 | T | 86.6 | Confident | 71.3 | Confident | 41 Ų | 41 | 54.4 Ų | 54.4 | 25% | 0.252 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 125.1 | 173.2 | -61.4 | 0 | 0 | 0 | 0 | 109.3 | F1665 C1691 R1692 N1694 | F1665-T1700 CarbonylContact O-C 3.59Å; F1665-T1700 WeakPolarHBondContact O-CA 3.43Å; C1691-T1700 CarbonylContact C-O 3.55Å; C1691-T1700 WeakPolarHBondContact CA-O 3.28Å; R1692-T1700 PolarHBondContact N-O 2.88Å; R1692-T1700 PolarHBondContact O-N 3.24Å; N1694-T1700 PolarHBondContact ND2-N 2.77Å; N1694-T1700 PolarHBondContact ND2-OG1 2.68Å; N1694-T1700 WeakPolarHBondContact OD1-CB 3.48Å; N1694-T1700 PolarHBondContact OD1-OG1 3.13Å |
| 1701 | V | 87.7 | Confident | 71 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 136.4 | 172.3 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | T1664 F1665 V1667 V1679 I1689 Q1690 C1691 | T1664-V1701 VanDerWaalsContact CA-O 3.28Å; T1664-V1701 WeakPolarHBondContact CA-O 3.26Å; F1665-V1701 HydrophobicContact CD1-CB 4.07Å; F1665-V1701 HydrophobicContact CD1-CG1 4.39Å; F1665-V1701 HydrophobicContact CD2-CB 4.27Å; F1665-V1701 HydrophobicContact CD2-CG2 4.48Å; F1665-V1701 HydrophobicContact CE1-CB 3.58Å; F1665-V1701 HydrophobicContact CE1-CG1 3.55Å; F1665-V1701 HydrophobicContact CE1-CG2 4.38Å; F1665-V1701 HydrophobicContact CE2-CB 3.82Å; F1665-V1701 HydrophobicContact CE2-CG1 4.43Å; F1665-V1701 HydrophobicContact CE2-CG2 3.79Å; F1665-V1701 HydrophobicContact CG-CB 4.39Å; F1665-V1701 HydrophobicContact CZ-CB 3.44Å; F1665-V1701 VanDerWaalsContact CZ-CB 3.44Å; F1665-V1701 HydrophobicContact CZ-CG1 3.57Å; F1665-V1701 HydrophobicContact CZ-CG2 3.72Å; F1665-V1701 PolarHBondContact N-O 2.88Å; F1665-V1701 PolarHBondContact O-N 2.87Å; V1667-V1701 HydrophobicContact CG2-CG2 4.47Å; V1679-V1701 HydrophobicContact CG1-CG1 4.22Å; V1679-V1701 HydrophobicContact CG2-CG2 4.29Å; I1689-V1701 HydrophobicContact CG2-CG1 3.48Å; I1689-V1701 VanDerWaalsContact CG2-CG1 3.48Å; Q1690-V1701 WeakPolarHBondContact O-CA 3.33Å; C1691-V1701 HydrophobicContact CB-CG2 4.41Å |
| 1702 | S | 86.9 | Confident | 70.9 | Confident | 24 Ų | 24 | 48 Ų | 48 | 17% | 0.168 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 147.2 | 174.2 | 57.6 | 0 | 0 | 0 | 0 | 111.2 | N1663 I1689 Q1690 | N1663-S1702 CarbonylContact O-C 3.44Å; N1663-S1702 WeakPolarHBondContact O-CA 3.5Å; I1689-S1702 WeakPolarHBondContact CA-O 3.45Å; Q1690-S1702 PolarHBondContact N-O 2.83Å; Q1690-S1702 PolarHBondContact O-N 3.28Å |
| 1703 | Y | 85.4 | Confident | 71.2 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 2% | 0.02 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 158 | 177.8 | 65.2 | -95.1 | 0 | 0 | 0 | 112.4 | G1653 A1657 N1663 F1665 L1681 E1688 | G1653-Y1703 WeakPolarHBondContact O-CE1 3.44Å; G1653-Y1703 PolarHBondContact O-OH 2.78Å; A1657-Y1703 HydrophobicContact CB-CE2 4.08Å; N1663-Y1703 HydrophobicContact CB-CD2 4.11Å; N1663-Y1703 HydrophobicContact CB-CE1 4.14Å; N1663-Y1703 HydrophobicContact CB-CE2 3.64Å; N1663-Y1703 PolarHBondContact N-O 2.96Å; N1663-Y1703 PolarHBondContact O-N 3.48Å; F1665-Y1703 HydrophobicContact CD1-CD1 4.41Å; F1665-Y1703 HydrophobicContact CD1-CE1 4.07Å; F1665-Y1703 HydrophobicContact CE1-CD1 4.22Å; F1665-Y1703 HydrophobicContact CE1-CE1 4.16Å; L1681-Y1703 HydrophobicContact CD2-CD1 3.89Å; L1681-Y1703 HydrophobicContact CD2-CD2 3.22Å; L1681-Y1703 HydrophobicContact CD2-CE1 4.25Å; L1681-Y1703 HydrophobicContact CD2-CE2 3.66Å; L1681-Y1703 HydrophobicContact CD2-CG 3.36Å; E1688-Y1703 VanDerWaalsContact O-CA 3.22Å; E1688-Y1703 WeakPolarHBondContact O-CA 3.14Å; E1688-Y1703 VanDerWaalsContact O-CB 3.3Å; E1688-Y1703 WeakPolarHBondContact O-CB 3.42Å |
| 1704 | K | 82.9 | Confident | 71.7 | Confident | 70 Ų | 70 | 36.3 Ų | 36.3 | 30% | 0.304 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 110.6 | 179.4 | 171.8 | 155.9 | 160.9 | 158.1 | 0 | 112 | Q1660 E1661 V1662 C1687 Y1706 | Q1660-K1704 WeakPolarHBondContact O-CE 3.22Å; Q1660-K1704 PolarHBondContact O-NZ 3.27Å; E1661-K1704 WeakPolarHBondContact O-CA 3.48Å; E1661-K1704 WeakPolarHBondContact O-CB 3.37Å; E1661-K1704 WeakPolarHBondContact O-CG 3.2Å; V1662-K1704 HydrophobicContact CG2-CD 4.35Å; C1687-K1704 WeakPolarHBondContact CA-O 3.33Å; K1704-Y1706 HydrophobicContact CG-CE1 4.21Å; K1704-Y1706 WeakPolarHBondContact O-CE2 3.35Å |
| 1705 | P | 71.9 | Confident | 72.3 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -86.5 | 149.3 | 174.6 | 32 | -28 | 0 | 0 | 0 | 111.8 | A1657 T1659 Q1660 N1663 C1687 Y1711 C1731 | A1657-P1705 HydrophobicContact CB-CG 4.43Å; T1659-P1705 WeakPolarHBondContact CA-O 3.47Å; Q1660-P1705 PolarHBondContact N-O 3.46Å; N1663-P1705 VanDerWaalsContact ND2-CD 3.32Å; N1663-P1705 WeakPolarHBondContact ND2-CD 3.19Å; C1687-P1705 VanDerWaalsContact SG-CA 3.52Å; P1705-Y1711 HydrophobicContact CB-CE1 4.13Å; P1705-Y1711 HydrophobicContact CB-CE2 4.07Å; P1705-Y1711 WeakPolarHBondContact CB-OH 3.5Å; P1705-C1731 WeakPolarHBondContact CG-SG 3.28Å | ||
| 1706 | Y | 64.1 | Low | 73.3 | Confident | 95 Ų | 95 | 34.1 Ų | 34.1 | 37% | 0.373 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -110.6 | -11.5 | -179 | -60 | -78.9 | 0 | 0 | 0 | 114 | S1685 K1704 G1735 | S1685-Y1706 PolarHBondContact OG-N 3.39Å; K1704-Y1706 HydrophobicContact CG-CE1 4.21Å; K1704-Y1706 WeakPolarHBondContact O-CE2 3.35Å; Y1706-G1735 WeakPolarHBondContact O-CA 3.46Å |
| 1707 | E | 61.8 | Low | 73.8 | Confident | 53 Ų | 53 | 31.9 Ų | 31.9 | 25% | 0.248 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -137 | 141.7 | 177.6 | -70.9 | -176.2 | 153.3 | 0 | 0 | 110.9 | P1684 S1685 Y1711 | P1684-E1707 HydrophobicContact CB-CB 3.84Å; S1685-E1707 PolarHBondContact OG-N 2.87Å; E1707-Y1711 WeakPolarHBondContact O-CE2 3.4Å; E1707-Y1711 PolarHBondContact O-OH 3.49Å |
| 1708 | P | 55.6 | Low | 74.1 | Confident | 49 Ų | 49 | 25 Ų | 25 | 32% | 0.318 | 14% | 0.138 | S | C | . | . | trans | -73.7 | 160 | -178.7 | 33.9 | -37.2 | 0 | 0 | 0 | 110.7 | T1659 P1684 C1731 G1733 | T1659-P1708 HydrophobicContact CG2-CB 4.1Å; T1659-P1708 VanDerWaalsContact CG2-N 3.32Å; P1684-P1708 WeakPolarHBondContact CG-O 3.44Å; P1708-C1731 WeakPolarHBondContact CA-O 3.4Å; P1708-C1731 WeakPolarHBondContact CB-O 3.5Å; P1708-G1733 WeakPolarHBondContact CG-O 3.25Å | ||
| 1709 | G | 50 | Low | 73.4 | Confident | 20 Ų | 20 | 28.8 Ų | 28.8 | 21% | 0.206 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 140.7 | -162.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | C1731 | G1709-C1731 PolarHBondContact N-O 2.83Å; G1709-C1731 WeakPolarHBondContact O-CB 3.27Å; G1709-C1731 PolarHBondContact O-N 3.32Å |
| 1710 | V | 56.5 | Low | 72.9 | Confident | 41 Ų | 41 | 34.5 Ų | 34.5 | 25% | 0.248 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 103.6 | -171.5 | -176 | 0 | 0 | 0 | 0 | 111.4 | R1555 T1728 I1729 | R1555-V1710 PolarHBondContact NE-O 2.96Å; R1555-V1710 PolarHBondContact NH2-O 3.09Å; V1710-T1728 HydrophobicContact CG1-CG2 3.52Å; V1710-I1729 WeakPolarHBondContact CA-O 3.47Å |
| 1711 | Y | 66.6 | Low | 72 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 138.8 | 177.7 | -66.8 | -105.6 | 0 | 0 | 0 | 110.8 | L1681 E1682 G1683 P1684 S1685 P1705 E1707 I1729 C1731 | L1681-Y1711 HydrophobicContact CD1-CD1 4.39Å; L1681-Y1711 HydrophobicContact CD2-CD1 4.42Å; L1681-Y1711 HydrophobicContact CG-CD1 4.14Å; E1682-Y1711 CarbonylContact O-C 3.5Å; E1682-Y1711 WeakPolarHBondContact O-CA 3.47Å; G1683-Y1711 VanDerWaalsContact CA-CD1 3.45Å; P1684-Y1711 HydrophobicContact CG-CD2 4.48Å; P1684-Y1711 HydrophobicContact CG-CE2 3.72Å; S1685-Y1711 PolarHBondContact N-OH 2.75Å; S1685-Y1711 VanDerWaalsContact N-OH 3.13Å; S1685-Y1711 WeakPolarHBondContact O-CE1 3.46Å; S1685-Y1711 PolarHBondContact OG-OH 3.04Å; P1705-Y1711 HydrophobicContact CB-CE1 4.13Å; P1705-Y1711 HydrophobicContact CB-CE2 4.07Å; P1705-Y1711 WeakPolarHBondContact CB-OH 3.5Å; E1707-Y1711 WeakPolarHBondContact O-CE2 3.4Å; E1707-Y1711 PolarHBondContact O-OH 3.49Å; Y1711-I1729 PolarHBondContact N-O 3.01Å; Y1711-I1729 PolarHBondContact O-N 3Å; Y1711-C1731 HydrophobicContact CD2-CB 3.62Å; Y1711-C1731 HydrophobicContact CE2-CB 3.52Å |
| 1712 | A | 71.4 | Confident | 71.8 | Confident | 14 Ų | 14 | 36.6 Ų | 36.6 | 12% | 0.116 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 128.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | E1682 F1727 | E1682-A1712 HydrophobicContact CB-CB 4.4Å; E1682-A1712 WeakPolarHBondContact CB-O 3.28Å; E1682-A1712 PolarHBondContact N-O 2.99Å; E1682-A1712 PolarHBondContact O-N 2.81Å; A1712-F1727 WeakPolarHBondContact CA-O 3.5Å |
| 1713 | L | 80.7 | Confident | 71.4 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 100.4 | 177.4 | 170.6 | 66 | 0 | 0 | 0 | 109.2 | I1654 F1665 V1679 L1681 V1715 P1726 F1727 I1729 | I1654-L1713 HydrophobicContact CB-CD2 4.29Å; I1654-L1713 HydrophobicContact CG2-CD2 3.81Å; F1665-L1713 HydrophobicContact CD1-CD2 3.95Å; F1665-L1713 HydrophobicContact CD2-CD2 4.47Å; F1665-L1713 HydrophobicContact CE1-CD1 3.88Å; F1665-L1713 HydrophobicContact CE1-CD2 3.49Å; F1665-L1713 VanDerWaalsContact CE1-CD2 3.49Å; F1665-L1713 HydrophobicContact CE1-CG 4.33Å; F1665-L1713 HydrophobicContact CE2-CD2 4.07Å; F1665-L1713 HydrophobicContact CG-CD2 4.42Å; F1665-L1713 HydrophobicContact CZ-CD1 3.69Å; F1665-L1713 HydrophobicContact CZ-CD2 3.56Å; F1665-L1713 HydrophobicContact CZ-CG 4.17Å; V1679-L1713 HydrophobicContact CG1-CD1 3.72Å; L1681-L1713 HydrophobicContact CB-CD1 4.44Å; L1681-L1713 HydrophobicContact CD1-CB 3.88Å; L1681-L1713 HydrophobicContact CD1-CD1 4.22Å; L1713-V1715 HydrophobicContact CD1-CG2 4.29Å; L1713-V1715 HydrophobicContact CD2-CG2 4.41Å; L1713-V1715 HydrophobicContact CG-CG2 4.09Å; L1713-P1726 CarbonylContact O-C 3.57Å; L1713-P1726 WeakPolarHBondContact O-CA 3.49Å; L1713-F1727 HydrophobicContact CB-CB 4.23Å; L1713-F1727 HydrophobicContact CD2-CB 4.47Å; L1713-F1727 HydrophobicContact CD2-CD2 4.24Å; L1713-F1727 HydrophobicContact CG-CD2 4.33Å; L1713-F1727 PolarHBondContact N-O 2.81Å; L1713-F1727 PolarHBondContact O-N 3.42Å; L1713-I1729 HydrophobicContact CB-CD1 3.53Å; L1713-I1729 HydrophobicContact CD2-CD1 3.98Å; L1713-I1729 HydrophobicContact CG-CD1 4.34Å |
| 1714 | S | 78.7 | Confident | 70.9 | Confident | 20 Ų | 20 | 41.1 Ų | 41.1 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 114.2 | 169.5 | -69.3 | 0 | 0 | 0 | 0 | 109.7 | V1679 S1680 | V1679-S1714 WeakPolarHBondContact CA-O 3.26Å; S1680-S1714 PolarHBondContact N-O 2.89Å; S1680-S1714 PolarHBondContact O-N 2.95Å |
| 1715 | V | 82.1 | Confident | 69.9 | Low | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 128.1 | 162.7 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | V1649 F1665 V1667 L1677 V1679 L1713 V1722 S1725 F1727 | V1649-V1715 HydrophobicContact CG2-CB 4.48Å; V1649-V1715 HydrophobicContact CG2-CG1 4.23Å; F1665-V1715 HydrophobicContact CE2-CG2 4.02Å; F1665-V1715 HydrophobicContact CZ-CG2 4.29Å; V1667-V1715 HydrophobicContact CG1-CG1 4.26Å; V1667-V1715 HydrophobicContact CG2-CG1 4.11Å; L1677-V1715 HydrophobicContact CD1-CG1 3.64Å; V1679-V1715 HydrophobicContact CG2-CG1 4.35Å; V1679-V1715 HydrophobicContact CG2-CG2 4.4Å; L1713-V1715 HydrophobicContact CD1-CG2 4.29Å; L1713-V1715 HydrophobicContact CD2-CG2 4.41Å; L1713-V1715 HydrophobicContact CG-CG2 4.09Å; V1715-V1722 HydrophobicContact CB-CG2 3.73Å; V1715-V1722 HydrophobicContact CG1-CG1 4.12Å; V1715-V1722 HydrophobicContact CG1-CG2 3.75Å; V1715-V1722 PolarHBondContact O-N 2.77Å; V1715-S1725 PolarHBondContact N-OG 2.96Å; V1715-S1725 WeakPolarHBondContact O-CB 3.4Å; V1715-S1725 PolarHBondContact O-OG 3.39Å; V1715-F1727 HydrophobicContact CB-CE2 4.27Å; V1715-F1727 HydrophobicContact CG2-CD2 4.31Å; V1715-F1727 HydrophobicContact CG2-CE2 4.06Å |
| 1716 | K | 80.7 | Confident | 69.3 | Low | 60 Ų | 60 | 41.2 Ų | 41.2 | 26% | 0.261 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 149.6 | 176.8 | -68.3 | -177.4 | 170.5 | -162.3 | 0 | 110.4 | L1677 S1678 H1720 H1721 | L1677-K1716 CarbonylContact C-O 3.59Å; L1677-K1716 WeakPolarHBondContact CA-O 3.07Å; L1677-K1716 WeakPolarHBondContact CD1-O 3.28Å; S1678-K1716 PolarHBondContact N-O 2.9Å; S1678-K1716 PolarHBondContact O-N 2.81Å; K1716-H1720 CarbonylContact C-O 3.56Å; K1716-H1720 WeakPolarHBondContact CA-O 3.41Å; K1716-H1720 VanDerWaalsContact CB-O 3.28Å; K1716-H1720 WeakPolarHBondContact CB-O 3.2Å; K1716-H1721 VanDerWaalsContact CE-CD2 3.49Å; K1716-H1721 WeakPolarHBondContact CE-CD2 3.21Å; K1716-H1721 WeakPolarHBondContact CE-NE2 3.24Å |
| 1717 | F | 78.6 | Confident | 69.6 | Low | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 133.3 | 173 | -175.9 | -98.7 | 0 | 0 | 0 | 109.9 | A1644 V1647 T1669 A1672 G1673 G1675 G1676 L1677 D1719 H1720 V1722 | A1644-F1717 HydrophobicContact CB-CB 4.18Å; A1644-F1717 WeakPolarHBondContact CB-O 3.39Å; V1647-F1717 HydrophobicContact CG2-CB 3.66Å; V1647-F1717 HydrophobicContact CG2-CD1 3.84Å; V1647-F1717 HydrophobicContact CG2-CD2 4.23Å; V1647-F1717 HydrophobicContact CG2-CG 3.64Å; T1669-F1717 HydrophobicContact CG2-CD2 3.61Å; T1669-F1717 HydrophobicContact CG2-CE2 3.63Å; A1672-F1717 HydrophobicContact CB-CD1 3.74Å; A1672-F1717 HydrophobicContact CB-CE1 3.4Å; A1672-F1717 HydrophobicContact CB-CZ 4Å; G1673-F1717 WeakPolarHBondContact O-CZ 3.36Å; G1675-F1717 VanDerWaalsContact CA-CZ 3.45Å; G1675-F1717 WeakPolarHBondContact O-CE2 3.33Å; G1676-F1717 CarbonylContact O-C 3.49Å; G1676-F1717 WeakPolarHBondContact O-CA 3.43Å; L1677-F1717 HydrophobicContact CB-CD2 4.17Å; F1717-D1719 PolarHBondContact O-N 2.9Å; F1717-H1720 PolarHBondContact N-O 3.42Å; F1717-H1720 PolarHBondContact O-N 2.77Å; F1717-H1720 VanDerWaalsContact O-N 3.1Å; F1717-V1722 HydrophobicContact CB-CG1 3.91Å |
| 1718 | A | 71.5 | Confident | 69.8 | Low | 15 Ų | 15 | 39 Ų | 39 | 12% | 0.124 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 49.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G1676 H1720 | G1676-A1718 PolarHBondContact O-N 2.9Å; A1718-H1720 PolarHBondContact O-N 3.26Å; A1718-H1720 PolarHBondContact O-ND1 2.91Å |
| 1719 | D | 64.8 | Low | 70.4 | Confident | 86 Ų | 86 | 36.7 Ų | 36.7 | 46% | 0.46 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | -7.4 | 179.9 | -51.2 | -39.5 | 0 | 0 | 0 | 116.6 | R1611 F1717 | R1611-D1719 IonicContact CZ-OD2 3.34Å; R1611-D1719 IonicContact NE-OD2 3.66Å; R1611-D1719 PolarHBondContact NE-OD2 3.36Å; R1611-D1719 IonicContact NH2-OD2 2.63Å; R1611-D1719 PolarHBondContact NH2-OD2 2.89Å; F1717-D1719 PolarHBondContact O-N 2.9Å |
| 1720 | H | 67.2 | Low | 71.2 | Confident | 128 Ų | 128 | 40.9 Ų | 40.9 | 59% | 0.593 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 150 | 179.8 | -64.8 | 77.2 | 0 | 0 | 0 | 112.8 | A1644 K1716 F1717 A1718 | A1644-H1720 HydrophobicContact CB-CB 3.69Å; K1716-H1720 CarbonylContact C-O 3.56Å; K1716-H1720 WeakPolarHBondContact CA-O 3.41Å; K1716-H1720 VanDerWaalsContact CB-O 3.28Å; K1716-H1720 WeakPolarHBondContact CB-O 3.2Å; F1717-H1720 PolarHBondContact N-O 3.42Å; F1717-H1720 PolarHBondContact O-N 2.77Å; F1717-H1720 VanDerWaalsContact O-N 3.1Å; A1718-H1720 PolarHBondContact O-N 3.26Å; A1718-H1720 PolarHBondContact O-ND1 2.91Å |
| 1721 | H | 66.4 | Low | 71.6 | Confident | 83 Ų | 83 | 39.2 Ų | 39.2 | 38% | 0.384 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 139.8 | 174.8 | -79.3 | -95.1 | 0 | 0 | 0 | 112.1 | A1644 K1716 S1725 | A1644-H1721 WeakPolarHBondContact CB-O 3.44Å; K1716-H1721 VanDerWaalsContact CE-CD2 3.49Å; K1716-H1721 WeakPolarHBondContact CE-CD2 3.21Å; K1716-H1721 WeakPolarHBondContact CE-NE2 3.24Å; H1721-S1725 PolarHBondContact ND1-OG 3.37Å |
| 1722 | V | 83.3 | Confident | 71.4 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -83.5 | 157.6 | 175.1 | -49.7 | 0 | 0 | 0 | 0 | 111 | A1644 V1647 V1649 V1715 F1717 G1724 S1725 F1727 | A1644-V1722 HydrophobicContact CB-CG1 4.31Å; V1647-V1722 HydrophobicContact CB-CB 3.94Å; V1647-V1722 HydrophobicContact CB-CG1 3.63Å; V1647-V1722 HydrophobicContact CG1-CB 4.07Å; V1647-V1722 HydrophobicContact CG1-CG1 3.65Å; V1647-V1722 HydrophobicContact CG2-CG1 4.13Å; V1649-V1722 HydrophobicContact CG2-CG2 3.65Å; V1715-V1722 HydrophobicContact CB-CG2 3.73Å; V1715-V1722 HydrophobicContact CG1-CG1 4.12Å; V1715-V1722 HydrophobicContact CG1-CG2 3.75Å; V1715-V1722 PolarHBondContact O-N 2.77Å; F1717-V1722 HydrophobicContact CB-CG1 3.91Å; V1722-G1724 PolarHBondContact O-N 2.93Å; V1722-S1725 WeakPolarHBondContact O-CB 3.15Å; V1722-S1725 PolarHBondContact O-N 3.41Å; V1722-F1727 HydrophobicContact CG2-CE2 4.32Å |
| 1723 | P | 79 | Confident | 70.2 | Confident | 70 Ų | 70 | 47.3 Ų | 47.3 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.7 | 121.1 | 176 | -31.6 | 33.9 | 0 | 0 | 0 | 114.1 | A1644 S1645 V1647 F1727 | A1644-P1723 WeakPolarHBondContact O-CD 3.47Å; S1645-P1723 WeakPolarHBondContact O-CG 3.34Å; V1647-P1723 WeakPolarHBondContact O-CD 3.05Å; P1723-F1727 WeakPolarHBondContact O-CZ 3.05Å |
| 1724 | G | 74.8 | Confident | 68.4 | Low | 53 Ų | 53 | 55.8 Ų | 55.8 | 55% | 0.546 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | -6.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | V1722 P1726 F1727 | V1722-G1724 PolarHBondContact O-N 2.93Å; G1724-P1726 CarbonylContact O-C 3.59Å; G1724-F1727 VanDerWaalsContact C-CE1 3.48Å; G1724-F1727 VanDerWaalsContact O-CD1 3.23Å; G1724-F1727 WeakPolarHBondContact O-CD1 2.94Å; G1724-F1727 WeakPolarHBondContact O-CE1 3.43Å |
| 1725 | S | 63 | Low | 66.8 | Low | 11 Ų | 11 | 56.4 Ų | 56.4 | 8% | 0.077 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 139.6 | 174.6 | 178.8 | 0 | 0 | 0 | 0 | 111.7 | V1715 H1721 V1722 | V1715-S1725 PolarHBondContact N-OG 2.96Å; V1715-S1725 WeakPolarHBondContact O-CB 3.4Å; V1715-S1725 PolarHBondContact O-OG 3.39Å; H1721-S1725 PolarHBondContact ND1-OG 3.37Å; V1722-S1725 WeakPolarHBondContact O-CB 3.15Å; V1722-S1725 PolarHBondContact O-N 3.41Å |
| 1726 | P | 57.8 | Low | 65.3 | Low | 62 Ų | 62 | 61.8 Ų | 61.8 | 40% | 0.403 | 35% | 0.352 | S | S | . | . | S | Bend | cis | -73.9 | 134.1 | -2.6 | 30.1 | -34.6 | 0 | 0 | 0 | 112.9 | L1713 G1724 | L1713-P1726 CarbonylContact O-C 3.57Å; L1713-P1726 WeakPolarHBondContact O-CA 3.49Å; G1724-P1726 CarbonylContact O-C 3.59Å |
| 1727 | F | 71.8 | Confident | 63.8 | Low | 26 Ų | 26 | 61.2 Ų | 61.2 | 11% | 0.114 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 143.2 | 176.6 | -56.3 | -88 | 0 | 0 | 0 | 110.5 | V1649 I1654 A1712 L1713 V1715 V1722 P1723 G1724 | V1649-F1727 HydrophobicContact CB-CE1 4.5Å; V1649-F1727 HydrophobicContact CB-CE2 4.03Å; V1649-F1727 HydrophobicContact CB-CZ 3.67Å; V1649-F1727 HydrophobicContact CG1-CE2 4.14Å; V1649-F1727 HydrophobicContact CG1-CZ 4.17Å; V1649-F1727 HydrophobicContact CG2-CE2 3.94Å; V1649-F1727 HydrophobicContact CG2-CZ 3.83Å; I1654-F1727 HydrophobicContact CB-CB 4.25Å; I1654-F1727 HydrophobicContact CB-CD1 4.18Å; I1654-F1727 HydrophobicContact CB-CG 4.13Å; I1654-F1727 HydrophobicContact CD1-CD1 4.25Å; I1654-F1727 HydrophobicContact CD1-CE1 4.18Å; I1654-F1727 HydrophobicContact CG1-CD1 4.38Å; A1712-F1727 WeakPolarHBondContact CA-O 3.5Å; L1713-F1727 HydrophobicContact CB-CB 4.23Å; L1713-F1727 HydrophobicContact CD2-CB 4.47Å; L1713-F1727 HydrophobicContact CD2-CD2 4.24Å; L1713-F1727 HydrophobicContact CG-CD2 4.33Å; L1713-F1727 PolarHBondContact N-O 2.81Å; L1713-F1727 PolarHBondContact O-N 3.42Å; V1715-F1727 HydrophobicContact CB-CE2 4.27Å; V1715-F1727 HydrophobicContact CG2-CD2 4.31Å; V1715-F1727 HydrophobicContact CG2-CE2 4.06Å; V1722-F1727 HydrophobicContact CG2-CE2 4.32Å; P1723-F1727 WeakPolarHBondContact O-CZ 3.05Å; G1724-F1727 VanDerWaalsContact C-CE1 3.48Å; G1724-F1727 VanDerWaalsContact O-CD1 3.23Å; G1724-F1727 WeakPolarHBondContact O-CD1 2.94Å; G1724-F1727 WeakPolarHBondContact O-CE1 3.43Å |
| 1728 | T | 64.3 | Low | 62.6 | Low | 76 Ų | 76 | 63.8 Ų | 63.8 | 47% | 0.466 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 123.1 | 174.3 | -56.4 | 0 | 0 | 0 | 0 | 109.9 | V1710 | V1710-T1728 HydrophobicContact CG1-CG2 3.52Å |
| 1729 | I | 69.4 | Low | 61.9 | Low | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 127.5 | 179.7 | -65.1 | 150.8 | 0 | 0 | 0 | 109.2 | G1653 K1655 A1657 L1681 V1710 Y1711 L1713 | G1653-I1729 WeakPolarHBondContact O-CD1 3.16Å; G1653-I1729 WeakPolarHBondContact O-CG1 3.2Å; K1655-I1729 WeakPolarHBondContact O-CA 3.26Å; A1657-I1729 HydrophobicContact CB-CG2 3.74Å; L1681-I1729 HydrophobicContact CD1-CD1 3.64Å; V1710-I1729 WeakPolarHBondContact CA-O 3.47Å; Y1711-I1729 PolarHBondContact N-O 3.01Å; Y1711-I1729 PolarHBondContact O-N 3Å; L1713-I1729 HydrophobicContact CB-CD1 3.53Å; L1713-I1729 HydrophobicContact CD2-CD1 3.98Å; L1713-I1729 HydrophobicContact CG-CD1 4.34Å |
| 1730 | H | 67.5 | Low | 62.1 | Low | 108 Ų | 108 | 65.6 Ų | 65.6 | 50% | 0.5 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 120.6 | 170.2 | -64.9 | -88.8 | 0 | 0 | 0 | 109.5 | K1655 Q1656 A1657 | K1655-H1730 PolarHBondContact O-N 2.81Å; Q1656-H1730 CarbonylContact C-O 3.41Å; Q1656-H1730 VanDerWaalsContact CA-O 3.31Å; Q1656-H1730 WeakPolarHBondContact CA-O 3.44Å; A1657-H1730 PolarHBondContact N-O 2.84Å |
| 1731 | C | 64.1 | Low | 62.7 | Low | 6 Ų | 6 | 62.1 Ų | 62.1 | 4% | 0.041 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 128.2 | -179 | -172 | 0 | 0 | 0 | 0 | 111.3 | A1657 P1705 P1708 G1709 Y1711 | A1657-C1731 HydrophobicContact CB-CB 4.11Å; A1657-C1731 VanDerWaalsContact O-CA 3.3Å; A1657-C1731 WeakPolarHBondContact O-CA 3.4Å; P1705-C1731 WeakPolarHBondContact CG-SG 3.28Å; P1708-C1731 WeakPolarHBondContact CA-O 3.4Å; P1708-C1731 WeakPolarHBondContact CB-O 3.5Å; G1709-C1731 PolarHBondContact N-O 2.83Å; G1709-C1731 WeakPolarHBondContact O-CB 3.27Å; G1709-C1731 PolarHBondContact O-N 3.32Å; Y1711-C1731 HydrophobicContact CD2-CB 3.62Å; Y1711-C1731 HydrophobicContact CE2-CB 3.52Å |
| 1732 | E | 61.9 | Low | 63.3 | Low | 134 Ų | 134 | 62.3 Ų | 62.3 | 63% | 0.626 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 165.3 | -174.2 | -62.3 | -172.8 | 179.6 | 0 | 0 | 113.4 | A1657 L1658 T1659 | A1657-E1732 PolarHBondContact O-N 3.25Å; L1658-E1732 HydrophobicContact CD2-CB 4.24Å; T1659-E1732 WeakPolarHBondContact CB-O 3.28Å; T1659-E1732 WeakPolarHBondContact CG2-O 3.06Å; T1659-E1732 PolarHBondContact N-O 3.35Å; T1659-E1732 PolarHBondContact OG1-O 3.48Å |
| 1733 | G | 45.9 | Very low | 63.2 | Low | 52 Ų | 52 | 63.7 Ų | 63.7 | 54% | 0.536 | 38% | 0.383 | S | S | . | . | S | Bend | trans | 108.7 | -160.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | T1659 P1708 | T1659-G1733 VanDerWaalsContact OG1-C 3.28Å; T1659-G1733 WeakPolarHBondContact OG1-CA 3.33Å; P1708-G1733 WeakPolarHBondContact CG-O 3.25Å |
| 1734 | K | 43.6 | Very low | 63.6 | Low | 179 Ų | 179 | 63.6 Ų | 63.6 | 78% | 0.778 | 38% | 0.377 | S | S | * | . | trans | -98.4 | 124.2 | -174.2 | -79.7 | -173.8 | 174 | -178.5 | 0 | 112.2 | T1659 Q1660 | T1659-K1734 PolarHBondContact OG1-N 3.03Å; Q1660-K1734 PolarHBondContact NE2-O 2.86Å | ||
| 1735 | G | 44.7 | Very low | 64.1 | Low | 33 Ų | 33 | 63.8 Ų | 63.8 | 34% | 0.34 | 36% | 0.363 | S | S | . | . | trans | -72.4 | 162.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y1706 | Y1706-G1735 WeakPolarHBondContact O-CA 3.46Š| ||
| 1736 | V | 50.2 | Low | 65.1 | Low | 112 Ų | 112 | 68.3 Ų | 68.3 | 68% | 0.679 | 39% | 0.389 | S | S | * | . | trans | -81.8 | -29 | -178.9 | -176.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1737 | G | 50.5 | Low | 66.4 | Low | 48 Ų | 48 | 65.7 Ų | 65.7 | 50% | 0.495 | 37% | 0.372 | S | S | . | . | trans | 86 | 85.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1738 | S | 52.4 | Low | 66.9 | Low | 54 Ų | 54 | 73.2 Ų | 73.2 | 38% | 0.378 | 41% | 0.405 | S | S | . | . | trans | -82.1 | 144.5 | 173.2 | -158.4 | 0 | 0 | 0 | 0 | 111.7 | E1875 | S1738-E1875 WeakPolarHBondContact OG-CG 3.48Å; S1738-E1875 PolarHBondContact OG-OE1 2.82Å | ||
| 1739 | I | 57.8 | Low | 67.7 | Low | 70 Ų | 70 | 73.6 Ų | 73.6 | 36% | 0.359 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125 | 173.6 | -57.5 | 176.5 | 0 | 0 | 0 | 108.4 | E1875 G1876 K1879 | I1739-E1875 WeakPolarHBondContact O-CA 3.2Å; I1739-G1876 PolarHBondContact N-O 2.96Å; I1739-G1876 PolarHBondContact O-N 3.15Å; I1739-K1879 HydrophobicContact CG2-CB 4.11Å |
| 1740 | T | 69.2 | Low | 68.4 | Low | 70 Ų | 70 | 74.9 Ų | 74.9 | 43% | 0.429 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 118.4 | 178.8 | -52.6 | 0 | 0 | 0 | 0 | 110.8 | Y1873 V1874 E1875 | T1740-Y1873 HydrophobicContact CG2-CD1 4.11Å; T1740-V1874 WeakPolarHBondContact CA-O 3.44Å; T1740-E1875 HydrophobicContact CG2-CB 4.19Å; T1740-E1875 WeakPolarHBondContact OG1-CG 3.32Å |
| 1741 | E | 78.6 | Confident | 69 | Low | 54 Ų | 54 | 74.4 Ų | 74.4 | 25% | 0.252 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 160 | 169 | -68.8 | -69.7 | 145.1 | 0 | 0 | 110.1 | Y1873 V1874 K1879 A1880 V1882 | E1741-Y1873 CarbonylContact O-C 3.57Å; E1741-Y1873 WeakPolarHBondContact O-CA 3.36Å; E1741-V1874 PolarHBondContact N-O 3.36Å; E1741-V1874 PolarHBondContact O-N 3.11Å; E1741-K1879 HydrophobicContact CG-CB 4.42Å; E1741-K1879 HydrophobicContact CG-CG 3.53Å; E1741-K1879 WeakPolarHBondContact OE1-CG 3.38Å; E1741-K1879 IonicContact OE1-NZ 2.93Å; E1741-K1879 PolarHBondContact OE1-NZ 2.84Å; E1741-K1879 IonicContact OE2-NZ 3.39Å; E1741-K1879 PolarHBondContact OE2-NZ 2.8Å; E1741-A1880 HydrophobicContact CB-CB 4.25Å; E1741-A1880 WeakPolarHBondContact CB-O 3.25Å; E1741-A1880 WeakPolarHBondContact CG-O 3.46Å; E1741-V1882 HydrophobicContact CB-CG2 4.16Å |
| 1742 | K | 80 | Confident | 69.8 | Low | 87 Ų | 87 | 77.8 Ų | 77.8 | 38% | 0.378 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 158 | -175.1 | 63.4 | 171.4 | -175.3 | 167.4 | 0 | 113.4 | E1744 V1872 Y1873 | K1742-E1744 WeakPolarHBondContact CE-OE1 3.39Å; K1742-E1744 IonicContact NZ-OE1 3.13Å; K1742-E1744 PolarHBondContact NZ-OE1 3.01Å; K1742-V1872 CarbonylContact C-O 3.58Å; K1742-V1872 WeakPolarHBondContact CA-O 3.17Å; K1742-V1872 WeakPolarHBondContact CB-O 3.44Å; K1742-Y1873 HydrophobicContact CB-CD1 3.77Å; K1742-Y1873 HydrophobicContact CB-CE1 4.19Å; K1742-Y1873 HydrophobicContact CB-CG 4.2Å; K1742-Y1873 HydrophobicContact CD-CD1 4.23Å; K1742-Y1873 HydrophobicContact CD-CE1 3.83Å |
| 1743 | T | 80.8 | Confident | 71 | Confident | 32 Ų | 32 | 72 Ų | 72 | 20% | 0.196 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 147.3 | 163.8 | -166.3 | 0 | 0 | 0 | 0 | 109.6 | V1872 V1882 | T1743-V1872 HydrophobicContact CG2-CB 4.03Å; T1743-V1872 PolarHBondContact N-O 2.84Å; T1743-V1872 PolarHBondContact O-N 2.84Å; T1743-V1882 HydrophobicContact CG2-CG1 3.75Å |
| 1744 | E | 86.5 | Confident | 72.8 | Confident | 69 Ų | 69 | 74 Ų | 74 | 32% | 0.322 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 134.3 | -176.2 | -63.9 | -173 | -155.4 | 0 | 0 | 109.4 | K1505 K1742 L1869 L1870 Q1871 | K1505-E1744 IonicContact NZ-OE1 2.65Å; K1505-E1744 PolarHBondContact NZ-OE1 3.07Å; K1505-E1744 IonicContact NZ-OE2 3.59Å; K1505-E1744 PolarHBondContact NZ-OE2 3.2Å; K1742-E1744 WeakPolarHBondContact CE-OE1 3.39Å; K1742-E1744 IonicContact NZ-OE1 3.13Å; K1742-E1744 PolarHBondContact NZ-OE1 3.01Å; E1744-L1869 HydrophobicContact CB-CD1 4.27Å; E1744-L1870 WeakPolarHBondContact CA-O 3.38Å; E1744-Q1871 HydrophobicContact CG-CG 4.23Å |
| 1745 | K | 86.6 | Confident | 74.9 | Confident | 56 Ų | 56 | 68 Ų | 68 | 24% | 0.243 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 123.5 | -179.2 | 175.3 | 71.8 | 178.8 | -169 | 0 | 110 | L1747 L1870 Y1884 E1886 | K1745-L1747 HydrophobicContact CG-CD2 3.81Å; K1745-L1747 HydrophobicContact CG-CG 4.43Å; K1745-L1747 PolarHBondContact O-N 2.77Å; K1745-L1870 HydrophobicContact CB-CB 4.45Å; K1745-L1870 PolarHBondContact N-O 3.04Å; K1745-L1870 WeakPolarHBondContact O-CB 3.21Å; K1745-L1870 PolarHBondContact O-N 2.93Å; K1745-Y1884 HydrophobicContact CB-CD1 4.1Å; K1745-Y1884 HydrophobicContact CB-CE1 4.19Å; K1745-Y1884 HydrophobicContact CB-CG 4.37Å; K1745-Y1884 HydrophobicContact CD-CD1 4.02Å; K1745-Y1884 HydrophobicContact CD-CE1 3.78Å; K1745-Y1884 HydrophobicContact CG-CD1 3.95Å; K1745-Y1884 HydrophobicContact CG-CE1 3.6Å; K1745-E1886 VanDerWaalsContact CE-OE1 3.26Å; K1745-E1886 WeakPolarHBondContact CE-OE1 3.27Å; K1745-E1886 IonicContact NZ-OE1 3.14Å; K1745-E1886 PolarHBondContact NZ-OE1 3.44Å; K1745-E1886 IonicContact NZ-OE2 3.61Å; K1745-E1886 PolarHBondContact NZ-OE2 2.98Å |
| 1746 | V | 84.3 | Confident | 76.7 | Confident | 106 Ų | 106 | 68.9 Ų | 68.9 | 64% | 0.642 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 111.3 | 165 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | L1869 | V1746-L1869 HydrophobicContact CG2-CD1 4.08Å |
| 1747 | L | 83.9 | Confident | 78.4 | Confident | 8 Ų | 8 | 67 Ų | 67 | 4% | 0.042 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 142 | 173 | -62.5 | 177.4 | 0 | 0 | 0 | 110 | K1745 S1862 P1867 G1868 L1870 F1910 | K1745-L1747 HydrophobicContact CG-CD2 3.81Å; K1745-L1747 HydrophobicContact CG-CG 4.43Å; K1745-L1747 PolarHBondContact O-N 2.77Å; L1747-S1862 WeakPolarHBondContact CD1-OG 3.09Å; L1747-P1867 WeakPolarHBondContact O-CA 3.09Å; L1747-G1868 PolarHBondContact N-O 3.15Å; L1747-G1868 PolarHBondContact O-N 2.53Å; L1747-G1868 VanDerWaalsContact O-N 3.14Å; L1747-L1870 HydrophobicContact CD1-CB 3.76Å; L1747-L1870 HydrophobicContact CD1-CD2 4.19Å; L1747-L1870 HydrophobicContact CD1-CG 4.43Å; L1747-L1870 HydrophobicContact CD2-CD2 4.45Å; L1747-L1870 HydrophobicContact CG-CB 3.92Å; L1747-F1910 HydrophobicContact CD1-CD2 4.16Å; L1747-F1910 HydrophobicContact CD1-CE2 3.97Å |
| 1748 | K | 81.7 | Confident | 80.2 | Confident | 183 Ų | 183 | 68.9 Ų | 68.9 | 80% | 0.796 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -94.8 | 158.2 | 172.4 | -63.7 | 175.3 | -176.7 | 172.4 | 0 | 109.4 | A1750 | K1748-A1750 PolarHBondContact O-N 2.83Š|
| 1749 | Q | 82.7 | Confident | 81.9 | Confident | 84 Ų | 84 | 66.5 Ų | 66.5 | 39% | 0.393 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 126.4 | 164.3 | 180 | 55.6 | 64.3 | 0 | 0 | 108.9 | F1832 G1866 | Q1749-F1832 VanDerWaalsContact NE2-CD2 3.32Å; Q1749-F1832 VanDerWaalsContact NE2-CE2 3.29Å; Q1749-G1866 VanDerWaalsContact OE1-CA 3.26Å |
| 1750 | A | 82.4 | Confident | 83.3 | Confident | 28 Ų | 28 | 66.1 Ų | 66.1 | 23% | 0.231 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 148.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | K1748 V1752 F1832 R1863 | K1748-A1750 PolarHBondContact O-N 2.83Å; A1750-V1752 PolarHBondContact O-N 2.75Å; A1750-F1832 HydrophobicContact CB-CZ 4.14Å; A1750-F1832 WeakPolarHBondContact O-CE2 3.49Å; A1750-R1863 HydrophobicContact CB-CB 4.38Å; A1750-R1863 HydrophobicContact CB-CG 3.66Å |
| 1751 | S | 80.3 | Confident | 84.2 | Confident | 98 Ų | 98 | 62.9 Ų | 62.9 | 69% | 0.685 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 134.4 | 178.4 | -63.6 | 0 | 0 | 0 | 0 | 111.5 | V1753 R1863 | S1751-V1753 PolarHBondContact O-N 2.9Å; S1751-R1863 PolarHBondContact O-NH2 2.9Å |
| 1752 | V | 82.7 | Confident | 84.6 | Confident | 77 Ų | 77 | 60.4 Ų | 60.4 | 47% | 0.467 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 131.1 | 164.4 | 167.8 | 0 | 0 | 0 | 0 | 108 | A1750 F1832 | A1750-V1752 PolarHBondContact O-N 2.75Å; V1752-F1832 HydrophobicContact CB-CE2 4.48Å; V1752-F1832 HydrophobicContact CG2-CD2 3.87Å; V1752-F1832 HydrophobicContact CG2-CE2 3.78Å |
| 1753 | V | 85.7 | Confident | 85.1 | Confident | 13 Ų | 13 | 56.4 Ų | 56.4 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | trans | -111.1 | 133.3 | 179.6 | 162.9 | 0 | 0 | 0 | 0 | 107.3 | S1751 D1757 C1759 P1803 Y1827 V1829 G1830 | S1751-V1753 PolarHBondContact O-N 2.9Å; V1753-D1757 HydrophobicContact CG1-CB 4.03Å; V1753-C1759 WeakPolarHBondContact CG1-SG 3.39Å; V1753-P1803 HydrophobicContact CG1-CG 4.21Å; V1753-Y1827 HydrophobicContact CG1-CE1 4.42Å; V1753-Y1827 HydrophobicContact CG2-CE1 4.43Å; V1753-V1829 HydrophobicContact CG1-CG1 4.2Å; V1753-V1829 HydrophobicContact CG1-CG2 4.24Å; V1753-G1830 PolarHBondContact O-N 2.83Å | ||
| 1754 | Q | 85 | Confident | 85.5 | Confident | 92 Ų | 92 | 56 Ų | 56 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | trans | -98.3 | 157.5 | 175.6 | -66.7 | -62.1 | -43.7 | 0 | 0 | 111.6 | G1756 D1757 | Q1754-G1756 PolarHBondContact O-N 2.96Å; Q1754-D1757 PolarHBondContact N-OD2 2.79Å; Q1754-D1757 WeakPolarHBondContact O-CB 3.24Å; Q1754-D1757 PolarHBondContact O-N 2.88Å; Q1754-D1757 VanDerWaalsContact O-N 3.07Å | ||
| 1755 | P | 87 | Confident | 85.6 | Confident | 54 Ų | 54 | 53.7 Ų | 53.7 | 35% | 0.351 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 120.9 | 170.9 | -24.2 | 35.5 | 0 | 0 | 0 | 111 | P1803 E1806 V1829 | P1755-P1803 CarbonylContact C-O 3.56Å; P1755-P1803 WeakPolarHBondContact CA-O 3.26Å; P1755-E1806 HydrophobicContact CG-CB 4.19Å; P1755-V1829 HydrophobicContact CG-CG1 4.15Å |
| 1756 | G | 82.8 | Confident | 85.2 | Confident | 51 Ų | 51 | 53.4 Ų | 53.4 | 53% | 0.526 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104 | -9.2 | -175 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q1754 V1802 P1803 | Q1754-G1756 PolarHBondContact O-N 2.96Å; G1756-V1802 WeakPolarHBondContact O-CG1 3.44Å; G1756-P1803 PolarHBondContact N-O 3.18Å |
| 1757 | D | 86.5 | Confident | 84.7 | Confident | 73 Ų | 73 | 52 Ų | 52 | 39% | 0.39 | 31% | 0.313 | S | S | . | . | trans | -73.4 | 144.5 | 175.3 | -73.9 | -20.5 | 0 | 0 | 0 | 112.2 | V1753 Q1754 C1759 P1803 | V1753-D1757 HydrophobicContact CG1-CB 4.03Å; Q1754-D1757 PolarHBondContact N-OD2 2.79Å; Q1754-D1757 WeakPolarHBondContact O-CB 3.24Å; Q1754-D1757 PolarHBondContact O-N 2.88Å; Q1754-D1757 VanDerWaalsContact O-N 3.07Å; D1757-C1759 PolarHBondContact O-N 3Å; D1757-C1759 PolarHBondContact O-SG 3.06Å; D1757-C1759 VanDerWaalsContact O-SG 3.37Å; D1757-P1803 WeakPolarHBondContact O-CD 3.17Å | ||
| 1758 | D | 86.3 | Confident | 84.2 | Confident | 88 Ų | 88 | 52.7 Ų | 52.7 | 47% | 0.471 | 32% | 0.317 | S | S | . | . | trans | -77.3 | 107.7 | 176.8 | -165.2 | 2.3 | 0 | 0 | 0 | 110.3 | R1800 | D1758-R1800 WeakPolarHBondContact OD1-CG 3.33Å; D1758-R1800 IonicContact OD1-CZ 2.66Å; D1758-R1800 IonicContact OD1-NE 3.73Å; D1758-R1800 PolarHBondContact OD1-NE 3.05Å; D1758-R1800 IonicContact OD1-NH2 3.22Å; D1758-R1800 IonicContact OD2-CZ 2.65Å; D1758-R1800 IonicContact OD2-NE 3.73Å; D1758-R1800 PolarHBondContact OD2-NE 3.19Å; D1758-R1800 VanDerWaalsContact OD2-NE 3.14Å; D1758-R1800 IonicContact OD2-NH2 3.27Å; D1758-R1800 PolarHBondContact OD2-NH2 3.42Å | ||
| 1759 | C | 88.9 | Confident | 83.7 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.02 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 135.9 | -171.5 | -62.7 | 0 | 0 | 0 | 0 | 111.6 | V1753 D1757 R1800 F1801 P1803 Y1827 | V1753-C1759 WeakPolarHBondContact CG1-SG 3.39Å; D1757-C1759 PolarHBondContact O-N 3Å; D1757-C1759 PolarHBondContact O-SG 3.06Å; D1757-C1759 VanDerWaalsContact O-SG 3.37Å; C1759-R1800 VanDerWaalsContact O-CA 3.3Å; C1759-R1800 WeakPolarHBondContact O-CA 3.43Å; C1759-F1801 WeakPolarHBondContact CA-O 3.46Å; C1759-F1801 HydrophobicContact CB-CD1 4.12Å; C1759-F1801 HydrophobicContact CB-CD2 3.86Å; C1759-F1801 HydrophobicContact CB-CE1 3.79Å; C1759-F1801 HydrophobicContact CB-CE2 3.52Å; C1759-F1801 HydrophobicContact CB-CG 4.15Å; C1759-F1801 HydrophobicContact CB-CZ 3.48Å; C1759-F1801 VanDerWaalsContact CB-CZ 3.48Å; C1759-F1801 VanDerWaalsContact CB-O 3.29Å; C1759-F1801 WeakPolarHBondContact CB-O 3.47Å; C1759-F1801 PolarHBondContact N-O 3.35Å; C1759-F1801 PolarHBondContact O-N 3.25Å; C1759-P1803 WeakPolarHBondContact SG-CD 3.43Å; C1759-Y1827 HydrophobicContact CB-CE1 4.32Å |
| 1760 | I | 86.9 | Confident | 83.2 | Confident | 63 Ų | 63 | 44 Ų | 44 | 32% | 0.323 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 137.2 | 180 | -57.5 | 179.5 | 0 | 0 | 0 | 109.7 | M1798 L1799 R1800 S1889 | I1760-M1798 HydrophobicContact CD1-SD 4.43Å; I1760-M1798 HydrophobicContact CG2-CE 4.09Å; I1760-M1798 HydrophobicContact CG2-CG 3.48Å; I1760-M1798 VanDerWaalsContact CG2-CG 3.48Å; I1760-M1798 HydrophobicContact CG2-SD 3.68Å; I1760-L1799 WeakPolarHBondContact CA-O 3.29Å; I1760-R1800 HydrophobicContact CG1-CG 4.46Å; I1760-S1889 VanDerWaalsContact O-CB 3.26Å; I1760-S1889 WeakPolarHBondContact O-CB 2.94Å |
| 1761 | M | 88.2 | Confident | 82.9 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 143.1 | 170.7 | 178.6 | 178.7 | 175.4 | 0 | 0 | 109.3 | L1763 L1799 L1811 F1825 Y1861 | M1761-L1763 HydrophobicContact CE-CD1 4.38Å; M1761-L1763 HydrophobicContact CE-CD2 4.05Å; M1761-L1763 HydrophobicContact CE-CG 4.29Å; M1761-L1799 HydrophobicContact CB-CB 4.37Å; M1761-L1799 PolarHBondContact N-O 3.39Å; M1761-L1799 PolarHBondContact O-N 3.25Å; M1761-L1811 HydrophobicContact SD-CD1 3.67Å; M1761-F1825 HydrophobicContact CE-CB 4.27Å; M1761-F1825 HydrophobicContact CE-CD1 3.98Å; M1761-F1825 HydrophobicContact CE-CD2 3.88Å; M1761-F1825 HydrophobicContact CE-CE1 4.24Å; M1761-F1825 HydrophobicContact CE-CE2 4.15Å; M1761-F1825 HydrophobicContact CE-CG 3.79Å; M1761-F1825 HydrophobicContact CE-CZ 4.33Å; M1761-Y1861 HydrophobicContact CE-CD2 3.45Å; M1761-Y1861 VanDerWaalsContact CE-CD2 3.45Å; M1761-Y1861 HydrophobicContact CE-CE2 3.75Å; M1761-Y1861 HydrophobicContact CE-CG 4.04Å; M1761-Y1861 HydrophobicContact SD-CD2 4.29Å; M1761-Y1861 HydrophobicContact SD-CE2 3.98Å |
| 1762 | S | 87.2 | Confident | 82.6 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.014 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 135.8 | -172.3 | -47.8 | 0 | 0 | 0 | 0 | 112.3 | Y1797 T1887 S1889 D1891 | S1762-Y1797 CarbonylContact C-O 3.59Å; S1762-Y1797 WeakPolarHBondContact CA-O 3.5Å; S1762-T1887 WeakPolarHBondContact CB-OG1 3.34Å; S1762-S1889 WeakPolarHBondContact CB-OG 3.41Å; S1762-S1889 PolarHBondContact N-OG 2.61Å; S1762-S1889 PolarHBondContact OG-OG 2.76Å; S1762-D1891 PolarHBondContact N-OD2 2.83Å |
| 1763 | L | 89.8 | Confident | 82.6 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 124.3 | -178.4 | -68.4 | 172.6 | 0 | 0 | 0 | 111.7 | M1761 I1765 Y1797 L1799 V1813 I1820 F1825 N1859 | M1761-L1763 HydrophobicContact CE-CD1 4.38Å; M1761-L1763 HydrophobicContact CE-CD2 4.05Å; M1761-L1763 HydrophobicContact CE-CG 4.29Å; L1763-I1765 HydrophobicContact CB-CD1 4.25Å; L1763-I1765 HydrophobicContact CB-CG1 4.17Å; L1763-Y1797 PolarHBondContact N-O 2.9Å; L1763-Y1797 PolarHBondContact O-N 2.87Å; L1763-L1799 HydrophobicContact CD1-CD1 4.24Å; L1763-V1813 HydrophobicContact CD1-CG2 3.89Å; L1763-I1820 HydrophobicContact CD1-CD1 4.07Å; L1763-F1825 HydrophobicContact CD1-CE2 4.06Å; L1763-F1825 HydrophobicContact CD1-CZ 4.29Å; L1763-F1825 HydrophobicContact CD2-CZ 4.28Å; L1763-N1859 HydrophobicContact CD2-CB 3.77Å |
| 1764 | K | 90.2 | Very high | 82.5 | Confident | 22 Ų | 22 | 46.1 Ų | 46.1 | 10% | 0.096 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 116 | 171.7 | 179.6 | 51.4 | 159.3 | 168.7 | 0 | 108.8 | P1766 S1794 E1795 L1796 F1857 N1859 Y1893 | K1764-P1766 HydrophobicContact CD-CG 4.25Å; K1764-P1766 HydrophobicContact CG-CG 4.28Å; K1764-S1794 PolarHBondContact NZ-O 3.2Å; K1764-E1795 HydrophobicContact CD-CB 4.28Å; K1764-E1795 WeakPolarHBondContact CD-O 3.32Å; K1764-E1795 IonicContact NZ-OE2 3.92Å; K1764-E1795 PolarHBondContact NZ-OE2 2.98Å; K1764-L1796 HydrophobicContact CB-CD1 4.14Å; K1764-F1857 HydrophobicContact CG-CD1 3.91Å; K1764-F1857 HydrophobicContact CG-CE1 4.37Å; K1764-F1857 HydrophobicContact CG-CG 4.43Å; K1764-N1859 PolarHBondContact N-OD1 2.85Å; K1764-N1859 PolarHBondContact O-ND2 2.98Å; K1764-N1859 PolarHBondContact O-OD1 2.78Å; K1764-Y1893 HydrophobicContact CB-CD1 3.87Å; K1764-Y1893 HydrophobicContact CB-CD2 4.2Å; K1764-Y1893 HydrophobicContact CB-CE1 4.31Å; K1764-Y1893 HydrophobicContact CB-CG 3.81Å; K1764-Y1893 HydrophobicContact CG-CD2 4.13Å; K1764-Y1893 HydrophobicContact CG-CE2 4.26Å; K1764-Y1893 HydrophobicContact CG-CG 4.26Å |
| 1765 | I | 87.9 | Confident | 82.7 | Confident | 21 Ų | 21 | 41.9 Ų | 41.9 | 11% | 0.108 | 27% | 0.27 | C | S | . | . | trans | -130.4 | 80.4 | -177.2 | -47.7 | 178.2 | 0 | 0 | 0 | 109.2 | L1763 L1773 E1795 Y1797 V1813 I1820 | L1763-I1765 HydrophobicContact CB-CD1 4.25Å; L1763-I1765 HydrophobicContact CB-CG1 4.17Å; I1765-L1773 HydrophobicContact CD1-CD1 4.06Å; I1765-L1773 HydrophobicContact CD1-CD2 4.13Å; I1765-E1795 PolarHBondContact N-O 2.86Å; I1765-Y1797 HydrophobicContact CB-CD2 3.98Å; I1765-Y1797 HydrophobicContact CB-CE2 4.26Å; I1765-Y1797 HydrophobicContact CD1-CD2 4.31Å; I1765-Y1797 HydrophobicContact CG1-CD2 4.23Å; I1765-V1813 HydrophobicContact CD1-CG1 4.45Å; I1765-I1820 HydrophobicContact CD1-CD1 3.81Å | ||
| 1766 | P | 79.1 | Confident | 82.6 | Confident | 51 Ų | 51 | 42 Ų | 42 | 33% | 0.331 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 152.4 | -176.4 | -24.1 | 35.2 | 0 | 0 | 0 | 114.4 | K1764 T1768 E1795 F1857 | K1764-P1766 HydrophobicContact CD-CG 4.25Å; K1764-P1766 HydrophobicContact CG-CG 4.28Å; P1766-T1768 PolarHBondContact O-N 2.81Å; P1766-T1768 VanDerWaalsContact O-N 3.13Å; P1766-E1795 VanDerWaalsContact CA-CD 3.44Å; P1766-E1795 VanDerWaalsContact CA-OE1 3.29Å; P1766-E1795 WeakPolarHBondContact CA-OE1 3.38Å; P1766-F1857 HydrophobicContact CB-CD2 4.44Å; P1766-F1857 HydrophobicContact CG-CB 3.89Å; P1766-F1857 HydrophobicContact CG-CD2 3.56Å; P1766-F1857 HydrophobicContact CG-CE2 4.16Å; P1766-F1857 HydrophobicContact CG-CG 3.77Å |
| 1767 | G | 73 | Confident | 82.9 | Confident | 77 Ų | 77 | 39.9 Ų | 39.9 | 79% | 0.794 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | -1.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | E1795 | G1767-E1795 PolarHBondContact N-OE1 2.85Š|
| 1768 | T | 73.1 | Confident | 82.7 | Confident | 22 Ų | 22 | 38.2 Ų | 38.2 | 14% | 0.135 | 23% | 0.23 | C | C | . | . | trans | -103 | 148.2 | -179 | -55 | 0 | 0 | 0 | 0 | 110.7 | P1766 D1772 L1773 Y1797 M1815 | P1766-T1768 PolarHBondContact O-N 2.81Å; P1766-T1768 VanDerWaalsContact O-N 3.13Å; T1768-D1772 HydrophobicContact CG2-CB 4.17Å; T1768-L1773 HydrophobicContact CG2-CD1 3.96Å; T1768-L1773 HydrophobicContact CG2-CD2 4.01Å; T1768-L1773 HydrophobicContact CG2-CG 3.73Å; T1768-Y1797 PolarHBondContact O-OH 2.88Å; T1768-M1815 HydrophobicContact CG2-CG 4.18Å; T1768-M1815 HydrophobicContact CG2-SD 3.87Å | ||
| 1769 | A | 71.9 | Confident | 82.6 | Confident | 47 Ų | 47 | 35 Ų | 35 | 39% | 0.388 | 21% | 0.214 | S | C | . | . | trans | -105 | 149.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1771 D1772 Y1797 | A1769-I1771 HydrophobicContact CB-CG2 4.39Å; A1769-I1771 PolarHBondContact O-N 3.35Å; A1769-D1772 PolarHBondContact O-N 2.99Å; A1769-Y1797 WeakPolarHBondContact CA-OH 3.2Å | ||
| 1770 | A | 72.7 | Confident | 82.1 | Confident | 37 Ų | 37 | 37.4 Ų | 37.4 | 31% | 0.306 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -23.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y1797 | A1770-Y1797 HydrophobicContact CB-CE1 3.8Å; A1770-Y1797 PolarHBondContact N-OH 2.82Å |
| 1771 | I | 75 | Confident | 81.5 | Confident | 142 Ų | 142 | 39 Ų | 39 | 73% | 0.728 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -23.4 | 179.4 | -165.9 | 165.7 | 0 | 0 | 0 | 113.5 | A1769 L1773 | A1769-I1771 HydrophobicContact CB-CG2 4.39Å; A1769-I1771 PolarHBondContact O-N 3.35Å; I1771-L1773 VanDerWaalsContact C-N 3.31Å |
| 1772 | D | 75.5 | Confident | 80.6 | Confident | 44 Ų | 44 | 40.8 Ų | 40.8 | 24% | 0.235 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -16.2 | 175.3 | -79.6 | -44.3 | 0 | 0 | 0 | 112.7 | T1768 A1769 M1815 R1816 | T1768-D1772 HydrophobicContact CG2-CB 4.17Å; A1769-D1772 PolarHBondContact O-N 2.99Å; D1772-M1815 HydrophobicContact CB-CG 4.36Å; D1772-M1815 CarbonylContact O-C 3.59Å; D1772-M1815 WeakPolarHBondContact O-CA 3.5Å; D1772-R1816 HydrophobicContact CB-CG 4.23Å; D1772-R1816 VanDerWaalsContact CG-NE 3.27Å; D1772-R1816 VanDerWaalsContact CG-NH2 3.3Å; D1772-R1816 PolarHBondContact O-N 2.89Å; D1772-R1816 WeakPolarHBondContact OD1-CG 3.3Å; D1772-R1816 IonicContact OD1-CZ 3.67Å; D1772-R1816 IonicContact OD1-NE 3.24Å; D1772-R1816 PolarHBondContact OD1-NE 3.2Å; D1772-R1816 IonicContact OD1-NH2 3.78Å; D1772-R1816 PolarHBondContact OD1-NH2 2.61Å; D1772-R1816 IonicContact OD2-CZ 2.9Å; D1772-R1816 IonicContact OD2-NE 2.75Å; D1772-R1816 IonicContact OD2-NH2 2.76Å; D1772-R1816 PolarHBondContact OD2-NH2 3.07Å |
| 1773 | L | 82.6 | Confident | 80 | Confident | 8 Ų | 8 | 43.4 Ų | 43.4 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 140.1 | -178.9 | -66.7 | 170.5 | 0 | 0 | 0 | 111.4 | I1765 T1768 I1771 L1789 Y1797 V1813 M1815 | I1765-L1773 HydrophobicContact CD1-CD1 4.06Å; I1765-L1773 HydrophobicContact CD1-CD2 4.13Å; T1768-L1773 HydrophobicContact CG2-CD1 3.96Å; T1768-L1773 HydrophobicContact CG2-CD2 4.01Å; T1768-L1773 HydrophobicContact CG2-CG 3.73Å; I1771-L1773 VanDerWaalsContact C-N 3.31Å; L1773-L1789 HydrophobicContact CB-CD1 4.05Å; L1773-L1789 HydrophobicContact CB-CD2 4.11Å; L1773-Y1797 HydrophobicContact CD1-CD1 3.87Å; L1773-Y1797 HydrophobicContact CD1-CD2 3.54Å; L1773-Y1797 HydrophobicContact CD1-CE1 4.02Å; L1773-Y1797 HydrophobicContact CD1-CE2 3.69Å; L1773-Y1797 HydrophobicContact CD1-CG 3.63Å; L1773-V1813 HydrophobicContact CD2-CG1 4.18Å; L1773-M1815 HydrophobicContact CD2-CB 3.99Å; L1773-M1815 HydrophobicContact CD2-CG 4.25Å |
| 1774 | N | 83.3 | Confident | 79.2 | Confident | 66 Ų | 66 | 46.2 Ų | 46.2 | 35% | 0.353 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 162.6 | 157.8 | 65.1 | 23.8 | 0 | 0 | 0 | 110.2 | L1814 | N1774-L1814 PolarHBondContact N-O 2.87Å; N1774-L1814 PolarHBondContact O-N 2.96Å; N1774-L1814 WeakPolarHBondContact OD1-CB 3.42Å; N1774-L1814 WeakPolarHBondContact OD1-CD1 3.13Å; N1774-L1814 PolarHBondContact OD1-O 2.82Å |
| 1775 | A | 87.9 | Confident | 78.7 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 147.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | V1787 L1789 L1799 S1812 V1813 | A1775-V1787 HydrophobicContact CB-CB 3.8Å; A1775-V1787 HydrophobicContact CB-CG1 4Å; A1775-V1787 PolarHBondContact O-N 2.82Å; A1775-L1789 HydrophobicContact CB-CD1 4.02Å; A1775-L1799 HydrophobicContact CB-CD2 3.84Å; A1775-L1799 HydrophobicContact CB-CG 4.03Å; A1775-S1812 CarbonylContact C-O 3.55Å; A1775-S1812 VanDerWaalsContact CA-O 3.25Å; A1775-S1812 WeakPolarHBondContact CA-O 3.36Å; A1775-V1813 HydrophobicContact CB-CG2 4.41Å |
| 1776 | R | 86.2 | Confident | 78.3 | Confident | 57 Ų | 57 | 50.6 Ų | 50.6 | 22% | 0.215 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 153.2 | 176.6 | -72.7 | 178.6 | 176.6 | 156.6 | 1.6 | 110.3 | I1784 E1785 D1786 S1812 | R1776-I1784 HydrophobicContact CB-CG2 4.08Å; R1776-I1784 HydrophobicContact CG-CG2 4.34Å; R1776-E1785 CarbonylContact C-O 3.56Å; R1776-E1785 WeakPolarHBondContact CA-O 3.38Å; R1776-D1786 WeakPolarHBondContact CG-OD1 3.31Å; R1776-D1786 IonicContact NE-OD1 2.71Å; R1776-D1786 PolarHBondContact NE-OD1 3.38Å; R1776-D1786 VanDerWaalsContact NE-OD1 3.13Å; R1776-S1812 PolarHBondContact N-O 3.45Å; R1776-S1812 PolarHBondContact O-N 3.36Å |
| 1777 | I | 87.8 | Confident | 78.6 | Confident | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.036 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130.2 | 172.2 | -168.7 | 169.2 | 0 | 0 | 0 | 109.5 | I1784 E1785 V1787 F1801 H1809 T1810 L1811 | I1777-I1784 WeakPolarHBondContact O-CA 3.36Å; I1777-E1785 HydrophobicContact CG2-CB 4.08Å; I1777-E1785 PolarHBondContact N-O 3.25Å; I1777-E1785 PolarHBondContact O-N 3.04Å; I1777-V1787 HydrophobicContact CB-CG2 3.63Å; I1777-V1787 HydrophobicContact CG2-CG2 3.69Å; I1777-F1801 HydrophobicContact CD1-CD2 3.35Å; I1777-F1801 HydrophobicContact CD1-CE2 3.45Å; I1777-F1801 VanDerWaalsContact CD1-CE2 3.45Å; I1777-F1801 HydrophobicContact CD1-CG 3.98Å; I1777-F1801 HydrophobicContact CD1-CZ 4.14Å; I1777-H1809 HydrophobicContact CD1-CB 3.82Å; I1777-H1809 HydrophobicContact CG1-CB 3.94Å; I1777-T1810 CarbonylContact C-O 3.59Å; I1777-T1810 WeakPolarHBondContact CA-O 3.49Å; I1777-L1811 HydrophobicContact CB-CD2 3.9Å; I1777-L1811 HydrophobicContact CD1-CD2 3.95Å; I1777-L1811 HydrophobicContact CD1-CG 4.45Å; I1777-L1811 HydrophobicContact CG1-CD2 3.94Å; I1777-L1811 HydrophobicContact CG1-CG 4.43Å |
| 1778 | M | 83 | Confident | 79.1 | Confident | 37 Ų | 37 | 49.7 Ų | 49.7 | 18% | 0.182 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 131.1 | 164.6 | -176.4 | 178.1 | -80.8 | 0 | 0 | 109.8 | N1783 I1784 H1809 T1810 I2030 | M1778-N1783 CarbonylContact C-O 3.5Å; M1778-N1783 VanDerWaalsContact CA-O 3.23Å; M1778-N1783 WeakPolarHBondContact CA-O 3.31Å; M1778-I1784 HydrophobicContact CB-CG1 4.36Å; M1778-I1784 HydrophobicContact CE-CD1 3.65Å; M1778-I1784 HydrophobicContact CE-CG1 3.62Å; M1778-I1784 HydrophobicContact CG-CG1 4.35Å; M1778-H1809 CarbonylContact O-C 3.42Å; M1778-H1809 VanDerWaalsContact O-CA 3.24Å; M1778-H1809 WeakPolarHBondContact O-CA 3.39Å; M1778-H1809 WeakPolarHBondContact O-CB 3.48Å; M1778-T1810 PolarHBondContact N-O 2.8Å; M1778-T1810 PolarHBondContact O-N 2.66Å; M1778-I2030 HydrophobicContact CB-CG2 4.13Å; M1778-I2030 HydrophobicContact CE-CB 4.49Å; M1778-I2030 HydrophobicContact CE-CG2 3.51Å; M1778-I2030 HydrophobicContact CG-CG2 4.47Å; M1778-I2030 HydrophobicContact SD-CG2 3.54Å; M1778-I2030 VanDerWaalsContact SD-CG2 3.54Å |
| 1779 | T | 83.9 | Confident | 79.6 | Confident | 21 Ų | 21 | 50.1 Ų | 50.1 | 13% | 0.129 | 28% | 0.281 | C | S | . | . | trans | -79.1 | 164.4 | 175 | 52.5 | 0 | 0 | 0 | 0 | 112 | D1781 G1782 N1783 | T1779-D1781 WeakPolarHBondContact CB-OD1 3.35Å; T1779-D1781 PolarHBondContact O-N 2.81Å; T1779-D1781 VanDerWaalsContact O-N 3.1Å; T1779-D1781 PolarHBondContact OG1-OD1 2.65Å; T1779-G1782 PolarHBondContact O-N 2.83Å; T1779-N1783 PolarHBondContact N-O 3.43Å; T1779-N1783 WeakPolarHBondContact OG1-CB 3.39Å; T1779-N1783 PolarHBondContact OG1-N 2.96Å; T1779-N1783 VanDerWaalsContact OG1-N 3.14Å; T1779-N1783 PolarHBondContact OG1-O 2.95Å; T1779-N1783 VanDerWaalsContact OG1-O 3.14Å | ||
| 1780 | P | 79.6 | Confident | 79.8 | Confident | 53 Ų | 53 | 52.5 Ų | 52.5 | 34% | 0.344 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -19.2 | -178.9 | -24.4 | 34.6 | 0 | 0 | 0 | 115 | H1809 | P1780-H1809 VanDerWaalsContact CD-CE1 3.49Å; P1780-H1809 WeakPolarHBondContact CD-CE1 2.93Å |
| 1781 | D | 74.6 | Confident | 80.1 | Confident | 97 Ų | 97 | 54.9 Ų | 54.9 | 52% | 0.519 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 1.1 | 174.4 | 70.8 | -14.9 | 0 | 0 | 0 | 114.3 | T1779 N1783 Q1805 | T1779-D1781 WeakPolarHBondContact CB-OD1 3.35Å; T1779-D1781 PolarHBondContact O-N 2.81Å; T1779-D1781 VanDerWaalsContact O-N 3.1Å; T1779-D1781 PolarHBondContact OG1-OD1 2.65Å; D1781-N1783 PolarHBondContact OD1-ND2 3.03Å; D1781-N1783 PolarHBondContact OD2-ND2 3.35Å; D1781-Q1805 PolarHBondContact OD1-OE1 2.8Å |
| 1782 | G | 69.1 | Low | 80.2 | Confident | 39 Ų | 39 | 51.2 Ų | 51.2 | 40% | 0.402 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 94.9 | 2.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | T1779 | T1779-G1782 PolarHBondContact O-N 2.83Š|
| 1783 | N | 73.9 | Confident | 80.1 | Confident | 56 Ų | 56 | 52.2 Ų | 52.2 | 30% | 0.299 | 28% | 0.276 | S | S | . | . | trans | -70.2 | 148.1 | 172.1 | -62.6 | -72 | 0 | 0 | 0 | 110.8 | M1778 T1779 D1781 | M1778-N1783 CarbonylContact C-O 3.5Å; M1778-N1783 VanDerWaalsContact CA-O 3.23Å; M1778-N1783 WeakPolarHBondContact CA-O 3.31Å; T1779-N1783 PolarHBondContact N-O 3.43Å; T1779-N1783 WeakPolarHBondContact OG1-CB 3.39Å; T1779-N1783 PolarHBondContact OG1-N 2.96Å; T1779-N1783 VanDerWaalsContact OG1-N 3.14Å; T1779-N1783 PolarHBondContact OG1-O 2.95Å; T1779-N1783 VanDerWaalsContact OG1-O 3.14Å; D1781-N1783 PolarHBondContact OD1-ND2 3.03Å; D1781-N1783 PolarHBondContact OD2-ND2 3.35Å | ||
| 1784 | I | 73.4 | Confident | 79.7 | Confident | 63 Ų | 63 | 56 Ų | 56 | 32% | 0.323 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 125.2 | -179.7 | -54 | 176.7 | 0 | 0 | 0 | 109.5 | R1776 I1777 M1778 L2184 | R1776-I1784 HydrophobicContact CB-CG2 4.08Å; R1776-I1784 HydrophobicContact CG-CG2 4.34Å; I1777-I1784 WeakPolarHBondContact O-CA 3.36Å; M1778-I1784 HydrophobicContact CB-CG1 4.36Å; M1778-I1784 HydrophobicContact CE-CD1 3.65Å; M1778-I1784 HydrophobicContact CE-CG1 3.62Å; M1778-I1784 HydrophobicContact CG-CG1 4.35Å; I1784-L2184 WeakPolarHBondContact O-CD1 3.36Å; I1784-L2184 VanDerWaalsContact O-CD2 3.31Å; I1784-L2184 WeakPolarHBondContact O-CD2 3.27Å |
| 1785 | E | 78.8 | Confident | 79.6 | Confident | 57 Ų | 57 | 55.4 Ų | 55.4 | 27% | 0.266 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 144.8 | 171.9 | -59 | -163.9 | 143.6 | 0 | 0 | 110.2 | R1776 I1777 R1804 | R1776-E1785 CarbonylContact C-O 3.56Å; R1776-E1785 WeakPolarHBondContact CA-O 3.38Å; I1777-E1785 HydrophobicContact CG2-CB 4.08Å; I1777-E1785 PolarHBondContact N-O 3.25Å; I1777-E1785 PolarHBondContact O-N 3.04Å; E1785-R1804 IonicContact OE1-CZ 2.67Å; E1785-R1804 VanDerWaalsContact OE1-CZ 3.22Å; E1785-R1804 IonicContact OE1-NH1 2.74Å; E1785-R1804 PolarHBondContact OE1-NH1 2.94Å; E1785-R1804 IonicContact OE1-NH2 2.9Å; E1785-R1804 PolarHBondContact OE1-NH2 3.25Å; E1785-R1804 IonicContact OE2-CZ 3.36Å; E1785-R1804 IonicContact OE2-NH1 3.3Å; E1785-R1804 IonicContact OE2-NH2 3.95Å; E1785-R1804 PolarHBondContact OE2-NH2 3.02Å |
| 1786 | D | 79.3 | Confident | 79.6 | Confident | 78 Ų | 78 | 56.1 Ų | 56.1 | 42% | 0.417 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 140.7 | 169.1 | -79.3 | -19.4 | 0 | 0 | 0 | 109.2 | R1776 | R1776-D1786 WeakPolarHBondContact CG-OD1 3.31Å; R1776-D1786 IonicContact NE-OD1 2.71Å; R1776-D1786 PolarHBondContact NE-OD1 3.38Å; R1776-D1786 VanDerWaalsContact NE-OD1 3.13Å |
| 1787 | V | 85.2 | Confident | 79.7 | Confident | 17 Ų | 17 | 53.5 Ų | 53.5 | 10% | 0.103 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -103.1 | 143.7 | -175.4 | 168.6 | 0 | 0 | 0 | 0 | 111 | A1775 I1777 L1789 L1799 R1800 F1801 L1811 | A1775-V1787 HydrophobicContact CB-CB 3.8Å; A1775-V1787 HydrophobicContact CB-CG1 4Å; A1775-V1787 PolarHBondContact O-N 2.82Å; I1777-V1787 HydrophobicContact CB-CG2 3.63Å; I1777-V1787 HydrophobicContact CG2-CG2 3.69Å; V1787-L1789 PolarHBondContact O-N 2.94Å; V1787-L1799 HydrophobicContact CG1-CB 4.01Å; V1787-L1799 HydrophobicContact CG1-CD2 4.28Å; V1787-L1799 HydrophobicContact CG1-CG 4.23Å; V1787-R1800 WeakPolarHBondContact CG1-O 3.4Å; V1787-F1801 HydrophobicContact CG1-CB 4.39Å; V1787-F1801 HydrophobicContact CG1-CD1 4.42Å; V1787-F1801 HydrophobicContact CG2-CB 4.34Å; V1787-L1811 HydrophobicContact CG2-CD2 4.17Å |
| 1788 | E | 83.5 | Confident | 79.6 | Confident | 93 Ų | 93 | 53.8 Ų | 53.8 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 126.1 | 176.1 | -177.5 | 166.5 | -119.6 | 0 | 0 | 109.4 | W1790 L1799 R1800 | E1788-W1790 HydrophobicContact CG-CE3 3.83Å; E1788-W1790 HydrophobicContact CG-CZ3 3.69Å; E1788-W1790 VanDerWaalsContact OE2-CZ3 3.29Å; E1788-W1790 WeakPolarHBondContact OE2-CZ3 3.37Å; E1788-L1799 CarbonylContact O-C 3.58Å; E1788-L1799 WeakPolarHBondContact O-CA 3.47Å; E1788-R1800 HydrophobicContact CB-CB 4.28Å; E1788-R1800 WeakPolarHBondContact CB-O 3.42Å; E1788-R1800 PolarHBondContact N-O 3.43Å; E1788-R1800 VanDerWaalsContact N-O 3.11Å; E1788-R1800 PolarHBondContact O-N 2.97Å; E1788-R1800 IonicContact OE2-CZ 3.58Å; E1788-R1800 IonicContact OE2-NH1 2.75Å; E1788-R1800 PolarHBondContact OE2-NH1 3.41Å |
| 1789 | L | 83.5 | Confident | 80 | Confident | 31 Ų | 31 | 52.1 Ų | 52.1 | 16% | 0.162 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 128.7 | -177.6 | -175.7 | 152.7 | 0 | 0 | 0 | 110.2 | L1773 A1775 V1787 Y1797 M1798 L1799 | L1773-L1789 HydrophobicContact CB-CD1 4.05Å; L1773-L1789 HydrophobicContact CB-CD2 4.11Å; A1775-L1789 HydrophobicContact CB-CD1 4.02Å; V1787-L1789 PolarHBondContact O-N 2.94Å; L1789-Y1797 HydrophobicContact CD2-CD1 4.01Å; L1789-M1798 WeakPolarHBondContact CA-O 3.4Å; L1789-L1799 HydrophobicContact CD1-CD1 4.3Å |
| 1790 | W | 76.2 | Confident | 80.2 | Confident | 96 Ų | 96 | 54.9 Ų | 54.9 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 168 | 172.9 | 56.3 | 56.8 | 0 | 0 | 0 | 111.7 | E1788 Y1797 M1798 | E1788-W1790 HydrophobicContact CG-CE3 3.83Å; E1788-W1790 HydrophobicContact CG-CZ3 3.69Å; E1788-W1790 VanDerWaalsContact OE2-CZ3 3.29Å; E1788-W1790 WeakPolarHBondContact OE2-CZ3 3.37Å; W1790-Y1797 WeakPolarHBondContact O-CA 3.4Å; W1790-M1798 HydrophobicContact CZ2-SD 4.15Å; W1790-M1798 PolarHBondContact N-O 3.25Å; W1790-M1798 VanDerWaalsContact N-O 3.14Å; W1790-M1798 PolarHBondContact NE1-SD 3.46Å; W1790-M1798 PolarHBondContact O-N 2.83Å |
| 1791 | E | 80.5 | Confident | 80.7 | Confident | 87 Ų | 87 | 53.1 Ų | 53.1 | 41% | 0.407 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 121 | 172.5 | -164 | 172.9 | 160.4 | 0 | 0 | 109 | S1793 S1794 E1795 Y1797 | E1791-S1793 WeakPolarHBondContact CG-O 3.46Å; E1791-S1794 WeakPolarHBondContact OE1-CA 3.49Å; E1791-E1795 PolarHBondContact OE1-N 2.85Å; E1791-Y1797 HydrophobicContact CB-CD1 4.05Å; E1791-Y1797 HydrophobicContact CB-CE1 3.7Å; E1791-Y1797 HydrophobicContact CG-CD1 4.29Å; E1791-Y1797 HydrophobicContact CG-CE1 3.81Å; E1791-Y1797 PolarHBondContact OE2-OH 2.98Å |
| 1792 | E | 76.4 | Confident | 81.4 | Confident | 66 Ų | 66 | 51.9 Ų | 51.9 | 31% | 0.308 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -39.2 | 177.7 | -179.4 | 179.6 | -150 | 0 | 0 | 111.4 | L1796 M1798 K1888 | E1792-L1796 PolarHBondContact N-O 2.92Å; E1792-M1798 HydrophobicContact CB-CE 4.17Å; E1792-M1798 HydrophobicContact CG-CE 4.12Å; E1792-M1798 WeakPolarHBondContact OE2-CE 3.33Å; E1792-K1888 WeakPolarHBondContact OE1-CD 3.36Å; E1792-K1888 VanDerWaalsContact OE1-CE 3.3Å; E1792-K1888 WeakPolarHBondContact OE1-CE 3.18Å; E1792-K1888 IonicContact OE1-NZ 2.68Å; E1792-K1888 PolarHBondContact OE1-NZ 2.89Å |
| 1793 | S | 74 | Confident | 82.3 | Confident | 65 Ų | 65 | 50.2 Ų | 50.2 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 168 | 176.7 | 60.3 | 0 | 0 | 0 | 0 | 108.1 | E1791 E1795 L1796 | E1791-S1793 WeakPolarHBondContact CG-O 3.46Å; S1793-E1795 PolarHBondContact O-N 2.85Å; S1793-L1796 WeakPolarHBondContact O-CA 3.45Å; S1793-L1796 WeakPolarHBondContact O-CB 3.49Å; S1793-L1796 PolarHBondContact O-N 2.91Å |
| 1794 | S | 74.6 | Confident | 82.8 | Confident | 88 Ų | 88 | 56.1 Ų | 56.1 | 62% | 0.615 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -33.7 | 105.6 | -173.2 | -170 | 0 | 0 | 0 | 0 | 114.4 | K1764 E1791 L1796 | K1764-S1794 PolarHBondContact NZ-O 3.2Å; E1791-S1794 WeakPolarHBondContact OE1-CA 3.49Å; S1794-L1796 PolarHBondContact O-N 2.81Å; S1794-L1796 VanDerWaalsContact O-N 3.1Å |
| 1795 | E | 79.8 | Confident | 83.3 | Confident | 53 Ų | 53 | 56.5 Ų | 56.5 | 25% | 0.248 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 12.9 | 178.2 | -29.9 | 158 | 121.4 | 0 | 0 | 115.7 | K1764 I1765 P1766 G1767 E1791 S1793 | K1764-E1795 HydrophobicContact CD-CB 4.28Å; K1764-E1795 WeakPolarHBondContact CD-O 3.32Å; K1764-E1795 IonicContact NZ-OE2 3.92Å; K1764-E1795 PolarHBondContact NZ-OE2 2.98Å; I1765-E1795 PolarHBondContact N-O 2.86Å; P1766-E1795 VanDerWaalsContact CA-CD 3.44Å; P1766-E1795 VanDerWaalsContact CA-OE1 3.29Å; P1766-E1795 WeakPolarHBondContact CA-OE1 3.38Å; G1767-E1795 PolarHBondContact N-OE1 2.85Å; E1791-E1795 PolarHBondContact OE1-N 2.85Å; S1793-E1795 PolarHBondContact O-N 2.85Å |
| 1796 | L | 88 | Confident | 83.5 | Confident | 17 Ų | 17 | 59.1 Ų | 59.1 | 9% | 0.089 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 104.3 | 171.4 | -179.7 | 66.7 | 0 | 0 | 0 | 108.9 | K1764 E1792 S1793 S1794 T1887 Y1893 | K1764-L1796 HydrophobicContact CB-CD1 4.14Å; E1792-L1796 PolarHBondContact N-O 2.92Å; S1793-L1796 WeakPolarHBondContact O-CA 3.45Å; S1793-L1796 WeakPolarHBondContact O-CB 3.49Å; S1793-L1796 PolarHBondContact O-N 2.91Å; S1794-L1796 PolarHBondContact O-N 2.81Å; S1794-L1796 VanDerWaalsContact O-N 3.1Å; L1796-T1887 HydrophobicContact CD1-CG2 4.15Å; L1796-Y1893 HydrophobicContact CD1-CE1 4.42Å |
| 1797 | Y | 88.6 | Confident | 83.8 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 139.3 | -178 | -65.9 | -73.8 | 0 | 0 | 0 | 111.3 | S1762 L1763 I1765 T1768 A1769 A1770 L1773 L1789 W1790 E1791 | S1762-Y1797 CarbonylContact C-O 3.59Å; S1762-Y1797 WeakPolarHBondContact CA-O 3.5Å; L1763-Y1797 PolarHBondContact N-O 2.9Å; L1763-Y1797 PolarHBondContact O-N 2.87Å; I1765-Y1797 HydrophobicContact CB-CD2 3.98Å; I1765-Y1797 HydrophobicContact CB-CE2 4.26Å; I1765-Y1797 HydrophobicContact CD1-CD2 4.31Å; I1765-Y1797 HydrophobicContact CG1-CD2 4.23Å; T1768-Y1797 PolarHBondContact O-OH 2.88Å; A1769-Y1797 WeakPolarHBondContact CA-OH 3.2Å; A1770-Y1797 HydrophobicContact CB-CE1 3.8Å; A1770-Y1797 PolarHBondContact N-OH 2.82Å; L1773-Y1797 HydrophobicContact CD1-CD1 3.87Å; L1773-Y1797 HydrophobicContact CD1-CD2 3.54Å; L1773-Y1797 HydrophobicContact CD1-CE1 4.02Å; L1773-Y1797 HydrophobicContact CD1-CE2 3.69Å; L1773-Y1797 HydrophobicContact CD1-CG 3.63Å; L1789-Y1797 HydrophobicContact CD2-CD1 4.01Å; W1790-Y1797 WeakPolarHBondContact O-CA 3.4Å; E1791-Y1797 HydrophobicContact CB-CD1 4.05Å; E1791-Y1797 HydrophobicContact CB-CE1 3.7Å; E1791-Y1797 HydrophobicContact CG-CD1 4.29Å; E1791-Y1797 HydrophobicContact CG-CE1 3.81Å; E1791-Y1797 PolarHBondContact OE2-OH 2.98Å |
| 1798 | M | 86.9 | Confident | 83.9 | Confident | 14 Ų | 14 | 58.7 Ų | 58.7 | 7% | 0.069 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 125.4 | 179.6 | -178.1 | -179.9 | -71.4 | 0 | 0 | 108.7 | I1760 L1789 W1790 E1792 | I1760-M1798 HydrophobicContact CD1-SD 4.43Å; I1760-M1798 HydrophobicContact CG2-CE 4.09Å; I1760-M1798 HydrophobicContact CG2-CG 3.48Å; I1760-M1798 VanDerWaalsContact CG2-CG 3.48Å; I1760-M1798 HydrophobicContact CG2-SD 3.68Å; L1789-M1798 WeakPolarHBondContact CA-O 3.4Å; W1790-M1798 HydrophobicContact CZ2-SD 4.15Å; W1790-M1798 PolarHBondContact N-O 3.25Å; W1790-M1798 VanDerWaalsContact N-O 3.14Å; W1790-M1798 PolarHBondContact NE1-SD 3.46Å; W1790-M1798 PolarHBondContact O-N 2.83Å; E1792-M1798 HydrophobicContact CB-CE 4.17Å; E1792-M1798 HydrophobicContact CG-CE 4.12Å; E1792-M1798 WeakPolarHBondContact OE2-CE 3.33Å |
| 1799 | L | 90 | Very high | 84.1 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 137.4 | 171 | -76.7 | 73.3 | 0 | 0 | 0 | 108.7 | I1760 M1761 L1763 A1775 V1787 E1788 L1789 L1811 V1813 | I1760-L1799 WeakPolarHBondContact CA-O 3.29Å; M1761-L1799 HydrophobicContact CB-CB 4.37Å; M1761-L1799 PolarHBondContact N-O 3.39Å; M1761-L1799 PolarHBondContact O-N 3.25Å; L1763-L1799 HydrophobicContact CD1-CD1 4.24Å; A1775-L1799 HydrophobicContact CB-CD2 3.84Å; A1775-L1799 HydrophobicContact CB-CG 4.03Å; V1787-L1799 HydrophobicContact CG1-CB 4.01Å; V1787-L1799 HydrophobicContact CG1-CD2 4.28Å; V1787-L1799 HydrophobicContact CG1-CG 4.23Å; E1788-L1799 CarbonylContact O-C 3.58Å; E1788-L1799 WeakPolarHBondContact O-CA 3.47Å; L1789-L1799 HydrophobicContact CD1-CD1 4.3Å; L1799-L1811 HydrophobicContact CD2-CD2 4.36Å; L1799-V1813 HydrophobicContact CD1-CG2 4.12Å; L1799-V1813 HydrophobicContact CD2-CG2 3.67Å; L1799-V1813 HydrophobicContact CG-CG2 4.41Å |
| 1800 | R | 88.9 | Confident | 84.4 | Confident | 80 Ų | 80 | 53.4 Ų | 53.4 | 30% | 0.302 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 134.4 | 177.8 | -175.1 | 176.3 | 173 | -127.1 | 8.9 | 112.3 | D1758 C1759 I1760 V1787 E1788 | D1758-R1800 WeakPolarHBondContact OD1-CG 3.33Å; D1758-R1800 IonicContact OD1-CZ 2.66Å; D1758-R1800 IonicContact OD1-NE 3.73Å; D1758-R1800 PolarHBondContact OD1-NE 3.05Å; D1758-R1800 IonicContact OD1-NH2 3.22Å; D1758-R1800 IonicContact OD2-CZ 2.65Å; D1758-R1800 IonicContact OD2-NE 3.73Å; D1758-R1800 PolarHBondContact OD2-NE 3.19Å; D1758-R1800 VanDerWaalsContact OD2-NE 3.14Å; D1758-R1800 IonicContact OD2-NH2 3.27Å; D1758-R1800 PolarHBondContact OD2-NH2 3.42Å; C1759-R1800 VanDerWaalsContact O-CA 3.3Å; C1759-R1800 WeakPolarHBondContact O-CA 3.43Å; I1760-R1800 HydrophobicContact CG1-CG 4.46Å; V1787-R1800 WeakPolarHBondContact CG1-O 3.4Å; E1788-R1800 HydrophobicContact CB-CB 4.28Å; E1788-R1800 WeakPolarHBondContact CB-O 3.42Å; E1788-R1800 PolarHBondContact N-O 3.43Å; E1788-R1800 VanDerWaalsContact N-O 3.11Å; E1788-R1800 PolarHBondContact O-N 2.97Å; E1788-R1800 IonicContact OE2-CZ 3.58Å; E1788-R1800 IonicContact OE2-NH1 2.75Å; E1788-R1800 PolarHBondContact OE2-NH1 3.41Å |
| 1801 | F | 90.7 | Very high | 85 | Confident | 16 Ų | 16 | 48.8 Ų | 48.8 | 7% | 0.07 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 162.3 | -178.3 | 61.2 | -82.5 | 0 | 0 | 0 | 111.3 | C1759 I1777 V1787 P1803 L1811 Y1827 | C1759-F1801 WeakPolarHBondContact CA-O 3.46Å; C1759-F1801 HydrophobicContact CB-CD1 4.12Å; C1759-F1801 HydrophobicContact CB-CD2 3.86Å; C1759-F1801 HydrophobicContact CB-CE1 3.79Å; C1759-F1801 HydrophobicContact CB-CE2 3.52Å; C1759-F1801 HydrophobicContact CB-CG 4.15Å; C1759-F1801 HydrophobicContact CB-CZ 3.48Å; C1759-F1801 VanDerWaalsContact CB-CZ 3.48Å; C1759-F1801 VanDerWaalsContact CB-O 3.29Å; C1759-F1801 WeakPolarHBondContact CB-O 3.47Å; C1759-F1801 PolarHBondContact N-O 3.35Å; C1759-F1801 PolarHBondContact O-N 3.25Å; I1777-F1801 HydrophobicContact CD1-CD2 3.35Å; I1777-F1801 HydrophobicContact CD1-CE2 3.45Å; I1777-F1801 VanDerWaalsContact CD1-CE2 3.45Å; I1777-F1801 HydrophobicContact CD1-CG 3.98Å; I1777-F1801 HydrophobicContact CD1-CZ 4.14Å; V1787-F1801 HydrophobicContact CG1-CB 4.39Å; V1787-F1801 HydrophobicContact CG1-CD1 4.42Å; V1787-F1801 HydrophobicContact CG2-CB 4.34Å; F1801-P1803 HydrophobicContact CD2-CB 4.45Å; F1801-P1803 HydrophobicContact CD2-CG 4.37Å; F1801-P1803 HydrophobicContact CE2-CB 4.43Å; F1801-P1803 HydrophobicContact CE2-CG 4.21Å; F1801-L1811 HydrophobicContact CD1-CD2 4Å; F1801-L1811 HydrophobicContact CE1-CD1 3.68Å; F1801-L1811 HydrophobicContact CE1-CD2 3.82Å; F1801-L1811 HydrophobicContact CE1-CG 4.3Å; F1801-L1811 HydrophobicContact CZ-CD1 3.88Å; F1801-L1811 HydrophobicContact CZ-CD2 4.25Å; F1801-L1811 HydrophobicContact CZ-CG 4.43Å; F1801-Y1827 HydrophobicContact CE1-CE2 4.45Å; F1801-Y1827 HydrophobicContact CE2-CD1 4.06Å; F1801-Y1827 HydrophobicContact CE2-CE1 4.03Å; F1801-Y1827 AromaticContact CZ-CD1 3.73Å; F1801-Y1827 HydrophobicContact CZ-CD1 3.73Å; F1801-Y1827 AromaticContact CZ-CD2 3.94Å; F1801-Y1827 HydrophobicContact CZ-CD2 3.94Å; F1801-Y1827 AromaticContact CZ-CE1 3.67Å; F1801-Y1827 HydrophobicContact CZ-CE1 3.67Å; F1801-Y1827 AromaticContact CZ-CE2 3.87Å; F1801-Y1827 HydrophobicContact CZ-CE2 3.87Å; F1801-Y1827 AromaticContact CZ-CG 3.87Å; F1801-Y1827 HydrophobicContact CZ-CG 3.87Å; F1801-Y1827 AromaticContact CZ-CZ 3.73Å |
| 1802 | V | 89 | Confident | 85.3 | Confident | 70 Ų | 70 | 44.7 Ų | 44.7 | 42% | 0.424 | 23% | 0.231 | S | C | . | . | trans | -125.7 | 97.3 | 177.1 | -176.2 | 0 | 0 | 0 | 0 | 108.3 | G1756 | G1756-V1802 WeakPolarHBondContact O-CG1 3.44Š| ||
| 1803 | P | 86.8 | Confident | 85.9 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.032 | 22% | 0.216 | C | C | . | . | trans | -69.6 | 137 | -177.7 | 29 | -32.3 | 0 | 0 | 0 | 110.5 | V1753 P1755 G1756 D1757 C1759 F1801 H1809 V1829 | V1753-P1803 HydrophobicContact CG1-CG 4.21Å; P1755-P1803 CarbonylContact C-O 3.56Å; P1755-P1803 WeakPolarHBondContact CA-O 3.26Å; G1756-P1803 PolarHBondContact N-O 3.18Å; D1757-P1803 WeakPolarHBondContact O-CD 3.17Å; C1759-P1803 WeakPolarHBondContact SG-CD 3.43Å; F1801-P1803 HydrophobicContact CD2-CB 4.45Å; F1801-P1803 HydrophobicContact CD2-CG 4.37Å; F1801-P1803 HydrophobicContact CE2-CB 4.43Å; F1801-P1803 HydrophobicContact CE2-CG 4.21Å; P1803-H1809 WeakPolarHBondContact CB-NE2 3.49Å; P1803-V1829 HydrophobicContact CB-CG1 4.34Å; P1803-V1829 HydrophobicContact CB-CG2 3.69Å; P1803-V1829 HydrophobicContact CG-CB 4.48Å; P1803-V1829 HydrophobicContact CG-CG1 4.09Å; P1803-V1829 HydrophobicContact CG-CG2 3.57Å | ||
| 1804 | R | 84.6 | Confident | 86.4 | Confident | 180 Ų | 180 | 39 Ų | 39 | 68% | 0.679 | 20% | 0.197 | S | C | * | . | trans | -103.2 | -1.6 | -174.9 | -55.4 | -171 | -159.5 | 112.7 | 19.7 | 114.6 | E1785 | E1785-R1804 IonicContact OE1-CZ 2.67Å; E1785-R1804 VanDerWaalsContact OE1-CZ 3.22Å; E1785-R1804 IonicContact OE1-NH1 2.74Å; E1785-R1804 PolarHBondContact OE1-NH1 2.94Å; E1785-R1804 IonicContact OE1-NH2 2.9Å; E1785-R1804 PolarHBondContact OE1-NH2 3.25Å; E1785-R1804 IonicContact OE2-CZ 3.36Å; E1785-R1804 IonicContact OE2-NH1 3.3Å; E1785-R1804 IonicContact OE2-NH2 3.95Å; E1785-R1804 PolarHBondContact OE2-NH2 3.02Å | ||
| 1805 | Q | 83.9 | Confident | 86.5 | Confident | 70 Ų | 70 | 38.4 Ų | 38.4 | 33% | 0.327 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -133.9 | 154.9 | -173.9 | -167.9 | -179.9 | -1.9 | 0 | 0 | 110.1 | D1781 H1809 V1829 | D1781-Q1805 PolarHBondContact OD1-OE1 2.8Å; Q1805-H1809 PolarHBondContact O-CE1 2.93Å; Q1805-H1809 VanDerWaalsContact O-CE1 3.29Å; Q1805-V1829 WeakPolarHBondContact O-CG1 3.49Å |
| 1806 | E | 83.6 | Confident | 86.1 | Confident | 113 Ų | 113 | 44.7 Ų | 44.7 | 53% | 0.528 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -83.6 | 139.8 | 168.6 | -160.6 | -179.6 | -179.2 | 0 | 0 | 110.4 | P1755 V1829 G1830 S1831 | P1755-E1806 HydrophobicContact CG-CB 4.19Å; E1806-V1829 WeakPolarHBondContact CG-O 3.48Å; E1806-G1830 VanDerWaalsContact OE1-CA 3.27Å; E1806-G1830 WeakPolarHBondContact OE1-CA 3.48Å; E1806-S1831 PolarHBondContact OE1-N 3.08Å |
| 1807 | G | 85.1 | Confident | 85.2 | Confident | 22 Ų | 22 | 45.8 Ų | 45.8 | 23% | 0.227 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 132.6 | -176.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | H1809 V1829 | G1807-H1809 PolarHBondContact O-N 2.87Å; G1807-H1809 PolarHBondContact O-ND1 3.25Å; G1807-V1829 PolarHBondContact N-O 2.9Å; G1807-V1829 PolarHBondContact O-N 2.92Å |
| 1808 | V | 86.5 | Confident | 84.2 | Confident | 63 Ų | 63 | 48.2 Ų | 48.2 | 38% | 0.382 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 112.3 | -179.2 | -173.4 | 0 | 0 | 0 | 0 | 110.2 | Q1826 | V1808-Q1826 HydrophobicContact CG1-CB 4.06Å; V1808-Q1826 HydrophobicContact CG1-CG 4.35Å |
| 1809 | H | 88.8 | Confident | 83.8 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 161.4 | 169.9 | -62.6 | 59.5 | 0 | 0 | 0 | 109.8 | I1777 M1778 P1780 P1803 Q1805 G1807 Y1827 V1829 | I1777-H1809 HydrophobicContact CD1-CB 3.82Å; I1777-H1809 HydrophobicContact CG1-CB 3.94Å; M1778-H1809 CarbonylContact O-C 3.42Å; M1778-H1809 VanDerWaalsContact O-CA 3.24Å; M1778-H1809 WeakPolarHBondContact O-CA 3.39Å; M1778-H1809 WeakPolarHBondContact O-CB 3.48Å; P1780-H1809 VanDerWaalsContact CD-CE1 3.49Å; P1780-H1809 WeakPolarHBondContact CD-CE1 2.93Å; P1803-H1809 WeakPolarHBondContact CB-NE2 3.49Å; Q1805-H1809 PolarHBondContact O-CE1 2.93Å; Q1805-H1809 VanDerWaalsContact O-CE1 3.29Å; G1807-H1809 PolarHBondContact O-N 2.87Å; G1807-H1809 PolarHBondContact O-ND1 3.25Å; H1809-Y1827 WeakPolarHBondContact CB-O 3.39Å; H1809-Y1827 PolarHBondContact N-O 3.3Å; H1809-Y1827 PolarHBondContact O-N 2.89Å; H1809-V1829 WeakPolarHBondContact ND1-CG2 3.4Å |
| 1810 | T | 89.2 | Confident | 83.4 | Confident | 12 Ų | 12 | 49.7 Ų | 49.7 | 7% | 0.074 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 114.3 | 176.2 | -57.3 | 0 | 0 | 0 | 0 | 110.5 | I1777 M1778 P1824 F1825 I2030 P2107 | I1777-T1810 CarbonylContact C-O 3.59Å; I1777-T1810 WeakPolarHBondContact CA-O 3.49Å; M1778-T1810 PolarHBondContact N-O 2.8Å; M1778-T1810 PolarHBondContact O-N 2.66Å; T1810-P1824 HydrophobicContact CG2-CB 3.69Å; T1810-P1824 HydrophobicContact CG2-CG 4.44Å; T1810-F1825 CarbonylContact C-O 3.47Å; T1810-F1825 WeakPolarHBondContact CA-O 3.34Å; T1810-I2030 HydrophobicContact CG2-CG1 4.46Å; T1810-I2030 HydrophobicContact CG2-CG2 4.25Å; T1810-P2107 HydrophobicContact CG2-CB 4.09Å; T1810-P2107 HydrophobicContact CG2-CG 3.96Å |
| 1811 | L | 89.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 128.4 | 176.6 | -74.3 | 166.7 | 0 | 0 | 0 | 110.5 | M1761 I1777 V1787 L1799 F1801 P1824 F1825 Y1827 | M1761-L1811 HydrophobicContact SD-CD1 3.67Å; I1777-L1811 HydrophobicContact CB-CD2 3.9Å; I1777-L1811 HydrophobicContact CD1-CD2 3.95Å; I1777-L1811 HydrophobicContact CD1-CG 4.45Å; I1777-L1811 HydrophobicContact CG1-CD2 3.94Å; I1777-L1811 HydrophobicContact CG1-CG 4.43Å; V1787-L1811 HydrophobicContact CG2-CD2 4.17Å; L1799-L1811 HydrophobicContact CD2-CD2 4.36Å; F1801-L1811 HydrophobicContact CD1-CD2 4Å; F1801-L1811 HydrophobicContact CE1-CD1 3.68Å; F1801-L1811 HydrophobicContact CE1-CD2 3.82Å; F1801-L1811 HydrophobicContact CE1-CG 4.3Å; F1801-L1811 HydrophobicContact CZ-CD1 3.88Å; F1801-L1811 HydrophobicContact CZ-CD2 4.25Å; F1801-L1811 HydrophobicContact CZ-CG 4.43Å; L1811-P1824 CarbonylContact O-C 3.58Å; L1811-P1824 WeakPolarHBondContact O-CA 3.4Å; L1811-F1825 HydrophobicContact CB-CB 4.41Å; L1811-F1825 PolarHBondContact N-O 3Å; L1811-F1825 PolarHBondContact O-N 2.75Å; L1811-Y1827 HydrophobicContact CD1-CD2 3.83Å; L1811-Y1827 HydrophobicContact CD1-CG 4.14Å |
| 1812 | S | 87.2 | Confident | 82.2 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 123.8 | 177.8 | -66.7 | 0 | 0 | 0 | 0 | 110.8 | A1775 R1776 H1819 P1824 I2030 | A1775-S1812 CarbonylContact C-O 3.55Å; A1775-S1812 VanDerWaalsContact CA-O 3.25Å; A1775-S1812 WeakPolarHBondContact CA-O 3.36Å; R1776-S1812 PolarHBondContact N-O 3.45Å; R1776-S1812 PolarHBondContact O-N 3.36Å; S1812-H1819 PolarHBondContact OG-CE1 2.81Å; S1812-P1824 WeakPolarHBondContact OG-CB 3.33Å; S1812-I2030 WeakPolarHBondContact OG-CD1 3.48Å; S1812-I2030 WeakPolarHBondContact OG-CG1 3.22Å |
| 1813 | V | 88.7 | Confident | 82 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 122.5 | 174.1 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | L1763 I1765 L1773 A1775 L1799 H1819 I1820 S1823 F1825 | L1763-V1813 HydrophobicContact CD1-CG2 3.89Å; I1765-V1813 HydrophobicContact CD1-CG1 4.45Å; L1773-V1813 HydrophobicContact CD2-CG1 4.18Å; A1775-V1813 HydrophobicContact CB-CG2 4.41Å; L1799-V1813 HydrophobicContact CD1-CG2 4.12Å; L1799-V1813 HydrophobicContact CD2-CG2 3.67Å; L1799-V1813 HydrophobicContact CG-CG2 4.41Å; V1813-H1819 WeakPolarHBondContact O-CA 3.4Å; V1813-I1820 HydrophobicContact CB-CD1 3.82Å; V1813-I1820 HydrophobicContact CB-CG1 4.03Å; V1813-I1820 HydrophobicContact CG1-CD1 3.7Å; V1813-I1820 HydrophobicContact CG1-CG1 4.17Å; V1813-I1820 HydrophobicContact CG1-CG2 4.33Å; V1813-I1820 PolarHBondContact O-N 2.77Å; V1813-S1823 PolarHBondContact N-OG 2.72Å; V1813-S1823 VanDerWaalsContact N-OG 3.07Å; V1813-S1823 PolarHBondContact O-OG 3.09Å; V1813-F1825 HydrophobicContact CG2-CE2 4.43Å |
| 1814 | L | 83 | Confident | 82 | Confident | 10 Ų | 10 | 45.3 Ų | 45.3 | 5% | 0.052 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 130.4 | -179.4 | -43.5 | 92.3 | 0 | 0 | 0 | 109.7 | N1774 G1817 S1818 | N1774-L1814 PolarHBondContact N-O 2.87Å; N1774-L1814 PolarHBondContact O-N 2.96Å; N1774-L1814 WeakPolarHBondContact OD1-CB 3.42Å; N1774-L1814 WeakPolarHBondContact OD1-CD1 3.13Å; N1774-L1814 PolarHBondContact OD1-O 2.82Å; L1814-G1817 WeakPolarHBondContact CD2-O 3.21Å; L1814-S1818 CarbonylContact C-O 3.49Å; L1814-S1818 VanDerWaalsContact CA-O 3.24Å; L1814-S1818 WeakPolarHBondContact CA-O 3.15Å |
| 1815 | M | 78.2 | Confident | 82.2 | Confident | 76 Ų | 76 | 37.1 Ų | 37.1 | 37% | 0.374 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 119.1 | 170.2 | -171.7 | -178.1 | 68.6 | 0 | 0 | 107.7 | T1768 D1772 L1773 G1817 S1818 I1820 | T1768-M1815 HydrophobicContact CG2-CG 4.18Å; T1768-M1815 HydrophobicContact CG2-SD 3.87Å; D1772-M1815 HydrophobicContact CB-CG 4.36Å; D1772-M1815 CarbonylContact O-C 3.59Å; D1772-M1815 WeakPolarHBondContact O-CA 3.5Å; L1773-M1815 HydrophobicContact CD2-CB 3.99Å; L1773-M1815 HydrophobicContact CD2-CG 4.25Å; M1815-G1817 PolarHBondContact O-N 2.78Å; M1815-G1817 VanDerWaalsContact O-N 3.13Å; M1815-S1818 PolarHBondContact N-O 2.84Å; M1815-S1818 PolarHBondContact O-N 2.82Å; M1815-I1820 HydrophobicContact CB-CG2 3.96Å |
| 1816 | R | 71.8 | Confident | 82.4 | Confident | 186 Ų | 186 | 35.1 Ų | 35.1 | 70% | 0.702 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 38.5 | -175.6 | -58 | 179.5 | -177.9 | 152.7 | 9.6 | 113 | D1772 | D1772-R1816 HydrophobicContact CB-CG 4.23Å; D1772-R1816 VanDerWaalsContact CG-NE 3.27Å; D1772-R1816 VanDerWaalsContact CG-NH2 3.3Å; D1772-R1816 PolarHBondContact O-N 2.89Å; D1772-R1816 WeakPolarHBondContact OD1-CG 3.3Å; D1772-R1816 IonicContact OD1-CZ 3.67Å; D1772-R1816 IonicContact OD1-NE 3.24Å; D1772-R1816 PolarHBondContact OD1-NE 3.2Å; D1772-R1816 IonicContact OD1-NH2 3.78Å; D1772-R1816 PolarHBondContact OD1-NH2 2.61Å; D1772-R1816 IonicContact OD2-CZ 2.9Å; D1772-R1816 IonicContact OD2-NE 2.75Å; D1772-R1816 IonicContact OD2-NH2 2.76Å; D1772-R1816 PolarHBondContact OD2-NH2 3.07Å |
| 1817 | G | 67.7 | Low | 82.8 | Confident | 40 Ų | 40 | 30.3 Ų | 30.3 | 41% | 0.412 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 0.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | L1814 M1815 | L1814-G1817 WeakPolarHBondContact CD2-O 3.21Å; M1815-G1817 PolarHBondContact O-N 2.78Å; M1815-G1817 VanDerWaalsContact O-N 3.13Å |
| 1818 | S | 67.6 | Low | 83 | Confident | 53 Ų | 53 | 29.8 Ų | 29.8 | 37% | 0.371 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 136.1 | 174.1 | -73.8 | 0 | 0 | 0 | 0 | 112.3 | L1814 M1815 I1820 | L1814-S1818 CarbonylContact C-O 3.49Å; L1814-S1818 VanDerWaalsContact CA-O 3.24Å; L1814-S1818 WeakPolarHBondContact CA-O 3.15Å; M1815-S1818 PolarHBondContact N-O 2.84Å; M1815-S1818 PolarHBondContact O-N 2.82Å; S1818-I1820 PolarHBondContact O-N 2.84Å |
| 1819 | H | 78.6 | Confident | 83.1 | Confident | 19 Ų | 19 | 26.8 Ų | 26.8 | 9% | 0.088 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55 | 133.6 | 176.2 | -72.4 | -105.5 | 0 | 0 | 0 | 112.1 | S1812 V1813 S1823 D2028 I2104 | S1812-H1819 PolarHBondContact OG-CE1 2.81Å; V1813-H1819 WeakPolarHBondContact O-CA 3.4Å; H1819-S1823 PolarHBondContact ND1-OG 2.89Å; H1819-D2028 IonicContact NE2-OD1 3.25Å; H1819-I2104 HydrophobicContact CB-CD1 4.17Å |
| 1820 | I | 82 | Confident | 83 | Confident | 26 Ų | 26 | 26.8 Ų | 26.8 | 13% | 0.133 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -68.5 | 160.2 | 168.2 | 66.4 | 171.5 | 0 | 0 | 0 | 111 | L1763 I1765 V1813 M1815 S1818 G1822 S1823 | L1763-I1820 HydrophobicContact CD1-CD1 4.07Å; I1765-I1820 HydrophobicContact CD1-CD1 3.81Å; V1813-I1820 HydrophobicContact CB-CD1 3.82Å; V1813-I1820 HydrophobicContact CB-CG1 4.03Å; V1813-I1820 HydrophobicContact CG1-CD1 3.7Å; V1813-I1820 HydrophobicContact CG1-CG1 4.17Å; V1813-I1820 HydrophobicContact CG1-CG2 4.33Å; V1813-I1820 PolarHBondContact O-N 2.77Å; M1815-I1820 HydrophobicContact CB-CG2 3.96Å; S1818-I1820 PolarHBondContact O-N 2.84Å; I1820-G1822 PolarHBondContact O-N 2.67Å; I1820-S1823 WeakPolarHBondContact O-CB 3.29Å; I1820-S1823 PolarHBondContact O-N 2.83Å; I1820-S1823 VanDerWaalsContact O-N 3.1Å |
| 1821 | A | 75.6 | Confident | 82.5 | Confident | 41 Ų | 41 | 30.7 Ų | 30.7 | 34% | 0.339 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 130 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | G1843 I1848 | A1821-G1843 WeakPolarHBondContact O-CA 3.34Å; A1821-I1848 HydrophobicContact CB-CD1 4.45Å |
| 1822 | G | 77.8 | Confident | 81.9 | Confident | 25 Ų | 25 | 32.7 Ų | 32.7 | 26% | 0.258 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | -19.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | I1820 F1825 | I1820-G1822 PolarHBondContact O-N 2.67Å; G1822-F1825 WeakPolarHBondContact O-CD1 3.35Å; G1822-F1825 WeakPolarHBondContact O-CE1 3.44Å |
| 1823 | S | 85.6 | Confident | 81.2 | Confident | 6 Ų | 6 | 35.9 Ų | 35.9 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | trans | -81.3 | 142.9 | 173.6 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | V1813 H1819 I1820 I2104 | V1813-S1823 PolarHBondContact N-OG 2.72Å; V1813-S1823 VanDerWaalsContact N-OG 3.07Å; V1813-S1823 PolarHBondContact O-OG 3.09Å; H1819-S1823 PolarHBondContact ND1-OG 2.89Å; I1820-S1823 WeakPolarHBondContact O-CB 3.29Å; I1820-S1823 PolarHBondContact O-N 2.83Å; I1820-S1823 VanDerWaalsContact O-N 3.1Å; S1823-I2104 WeakPolarHBondContact O-CG2 3.19Å | ||
| 1824 | P | 88 | Confident | 80.7 | Confident | 8 Ų | 8 | 41.7 Ų | 41.7 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | S | Bend | cis | -81.4 | 154.1 | 2 | 34.3 | -37 | 0 | 0 | 0 | 114.7 | T1810 L1811 S1812 I2030 H2105 | T1810-P1824 HydrophobicContact CG2-CB 3.69Å; T1810-P1824 HydrophobicContact CG2-CG 4.44Å; L1811-P1824 CarbonylContact O-C 3.58Å; L1811-P1824 WeakPolarHBondContact O-CA 3.4Å; S1812-P1824 WeakPolarHBondContact OG-CB 3.33Å; P1824-I2030 HydrophobicContact CB-CG1 4.45Å; P1824-H2105 VanDerWaalsContact CD-O 3.29Å; P1824-H2105 WeakPolarHBondContact CD-O 3.22Å; P1824-H2105 WeakPolarHBondContact CG-O 3.46Å |
| 1825 | F | 88.3 | Confident | 80.7 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 137.6 | -178.6 | -50.9 | -85.1 | 0 | 0 | 0 | 111.6 | M1761 L1763 T1810 L1811 V1813 G1822 Y1861 | M1761-F1825 HydrophobicContact CE-CB 4.27Å; M1761-F1825 HydrophobicContact CE-CD1 3.98Å; M1761-F1825 HydrophobicContact CE-CD2 3.88Å; M1761-F1825 HydrophobicContact CE-CE1 4.24Å; M1761-F1825 HydrophobicContact CE-CE2 4.15Å; M1761-F1825 HydrophobicContact CE-CG 3.79Å; M1761-F1825 HydrophobicContact CE-CZ 4.33Å; L1763-F1825 HydrophobicContact CD1-CE2 4.06Å; L1763-F1825 HydrophobicContact CD1-CZ 4.29Å; L1763-F1825 HydrophobicContact CD2-CZ 4.28Å; T1810-F1825 CarbonylContact C-O 3.47Å; T1810-F1825 WeakPolarHBondContact CA-O 3.34Å; L1811-F1825 HydrophobicContact CB-CB 4.41Å; L1811-F1825 PolarHBondContact N-O 3Å; L1811-F1825 PolarHBondContact O-N 2.75Å; V1813-F1825 HydrophobicContact CG2-CE2 4.43Å; G1822-F1825 WeakPolarHBondContact O-CD1 3.35Å; G1822-F1825 WeakPolarHBondContact O-CE1 3.44Å; F1825-Y1861 HydrophobicContact CB-CD1 4.2Å; F1825-Y1861 HydrophobicContact CB-CE1 4.09Å; F1825-Y1861 AromaticContact CD1-CD1 3.96Å; F1825-Y1861 HydrophobicContact CD1-CD1 3.96Å; F1825-Y1861 AromaticContact CD1-CG 3.96Å; F1825-Y1861 HydrophobicContact CD1-CG 3.96Å |
| 1826 | Q | 88.3 | Confident | 81 | Confident | 29 Ų | 29 | 40 Ų | 40 | 14% | 0.136 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 135 | 172 | -60.3 | -158.8 | -73 | 0 | 0 | 111.3 | V1808 Y1861 E1864 G2108 | V1808-Q1826 HydrophobicContact CG1-CB 4.06Å; V1808-Q1826 HydrophobicContact CG1-CG 4.35Å; Q1826-Y1861 WeakPolarHBondContact O-CE1 3.43Å; Q1826-Y1861 VanDerWaalsContact O-CZ 3.27Å; Q1826-Y1861 PolarHBondContact O-OH 2.82Å; Q1826-E1864 HydrophobicContact CB-CG 4.36Å; Q1826-E1864 WeakPolarHBondContact O-CG 3.36Å; Q1826-G2108 VanDerWaalsContact CD-CA 3.46Å; Q1826-G2108 VanDerWaalsContact NE2-CA 3.27Å |
| 1827 | Y | 90.2 | Very high | 81.7 | Confident | 11 Ų | 11 | 31.9 Ų | 31.9 | 4% | 0.043 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 106.6 | 175.9 | -165.9 | -79.7 | 0 | 0 | 0 | 110.3 | V1753 C1759 F1801 H1809 L1811 V1829 R1863 | V1753-Y1827 HydrophobicContact CG1-CE1 4.42Å; V1753-Y1827 HydrophobicContact CG2-CE1 4.43Å; C1759-Y1827 HydrophobicContact CB-CE1 4.32Å; F1801-Y1827 HydrophobicContact CE1-CE2 4.45Å; F1801-Y1827 HydrophobicContact CE2-CD1 4.06Å; F1801-Y1827 HydrophobicContact CE2-CE1 4.03Å; F1801-Y1827 AromaticContact CZ-CD1 3.73Å; F1801-Y1827 HydrophobicContact CZ-CD1 3.73Å; F1801-Y1827 AromaticContact CZ-CD2 3.94Å; F1801-Y1827 HydrophobicContact CZ-CD2 3.94Å; F1801-Y1827 AromaticContact CZ-CE1 3.67Å; F1801-Y1827 HydrophobicContact CZ-CE1 3.67Å; F1801-Y1827 AromaticContact CZ-CE2 3.87Å; F1801-Y1827 HydrophobicContact CZ-CE2 3.87Å; F1801-Y1827 AromaticContact CZ-CG 3.87Å; F1801-Y1827 HydrophobicContact CZ-CG 3.87Å; F1801-Y1827 AromaticContact CZ-CZ 3.73Å; H1809-Y1827 WeakPolarHBondContact CB-O 3.39Å; H1809-Y1827 PolarHBondContact N-O 3.3Å; H1809-Y1827 PolarHBondContact O-N 2.89Å; L1811-Y1827 HydrophobicContact CD1-CD2 3.83Å; L1811-Y1827 HydrophobicContact CD1-CG 4.14Å; Y1827-V1829 HydrophobicContact CD1-CG2 4.07Å; Y1827-V1829 HydrophobicContact CE1-CG2 4.28Å; Y1827-R1863 PolarHBondContact OH-NH1 2.83Å |
| 1828 | T | 90.1 | Very high | 82.5 | Confident | 11 Ų | 11 | 30.7 Ų | 30.7 | 7% | 0.067 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 129.3 | -179.8 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | R1863 E1864 | T1828-R1863 PolarHBondContact O-NH2 2.8Å; T1828-E1864 WeakPolarHBondContact CB-OE2 3.28Å; T1828-E1864 PolarHBondContact N-OE1 2.92Å; T1828-E1864 VanDerWaalsContact OG1-CD 3.32Å; T1828-E1864 PolarHBondContact OG1-OE2 2.9Å |
| 1829 | V | 89.8 | Confident | 83.5 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 134.1 | 170.5 | -179.8 | 0 | 0 | 0 | 0 | 107 | V1753 P1755 P1803 Q1805 E1806 G1807 H1809 Y1827 | V1753-V1829 HydrophobicContact CG1-CG1 4.2Å; V1753-V1829 HydrophobicContact CG1-CG2 4.24Å; P1755-V1829 HydrophobicContact CG-CG1 4.15Å; P1803-V1829 HydrophobicContact CB-CG1 4.34Å; P1803-V1829 HydrophobicContact CB-CG2 3.69Å; P1803-V1829 HydrophobicContact CG-CB 4.48Å; P1803-V1829 HydrophobicContact CG-CG1 4.09Å; P1803-V1829 HydrophobicContact CG-CG2 3.57Å; Q1805-V1829 WeakPolarHBondContact O-CG1 3.49Å; E1806-V1829 WeakPolarHBondContact CG-O 3.48Å; G1807-V1829 PolarHBondContact N-O 2.9Å; G1807-V1829 PolarHBondContact O-N 2.92Å; H1809-V1829 WeakPolarHBondContact ND1-CG2 3.4Å; Y1827-V1829 HydrophobicContact CD1-CG2 4.07Å; Y1827-V1829 HydrophobicContact CE1-CG2 4.28Å |
| 1830 | G | 84.8 | Confident | 84 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 88.1 | -151.7 | -164.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1753 E1806 | V1753-G1830 PolarHBondContact O-N 2.83Å; E1806-G1830 VanDerWaalsContact OE1-CA 3.27Å; E1806-G1830 WeakPolarHBondContact OE1-CA 3.48Å |
| 1831 | S | 79 | Confident | 84.3 | Confident | 94 Ų | 94 | 28.7 Ų | 28.7 | 66% | 0.657 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -72.9 | 129.9 | -177.4 | -59.9 | 0 | 0 | 0 | 0 | 112.3 | E1806 | E1806-S1831 PolarHBondContact OE1-N 3.08Š|
| 1832 | F | 77.7 | Confident | 85 | Confident | 42 Ų | 42 | 27.5 Ų | 27.5 | 18% | 0.184 | 18% | 0.182 | C | C | . | . | trans | -63.3 | 146.8 | 173 | -66.7 | -77.9 | 0 | 0 | 0 | 112.2 | Q1749 A1750 V1752 R1863 | Q1749-F1832 VanDerWaalsContact NE2-CD2 3.32Å; Q1749-F1832 VanDerWaalsContact NE2-CE2 3.29Å; A1750-F1832 HydrophobicContact CB-CZ 4.14Å; A1750-F1832 WeakPolarHBondContact O-CE2 3.49Å; V1752-F1832 HydrophobicContact CB-CE2 4.48Å; V1752-F1832 HydrophobicContact CG2-CD2 3.87Å; V1752-F1832 HydrophobicContact CG2-CE2 3.78Å; F1832-R1863 HydrophobicContact CE1-CG 4.09Å; F1832-R1863 HydrophobicContact CZ-CG 4.42Å | ||
| 1833 | G | 72.4 | Confident | 85.4 | Confident | 67 Ų | 67 | 26.7 Ų | 26.7 | 69% | 0.691 | 17% | 0.173 | S | C | * | . | trans | -84.4 | -154.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1834 | E | 77.7 | Confident | 85.5 | Confident | 124 Ų | 124 | 27.1 Ų | 27.1 | 58% | 0.579 | 18% | 0.178 | S | C | * | . | trans | -72.8 | 127.9 | 173.9 | -169.9 | -179.7 | -173.7 | 0 | 0 | 111.5 | K2112 | E1834-K2112 IonicContact OE1-NZ 2.69Å; E1834-K2112 PolarHBondContact OE1-NZ 2.78Å; E1834-K2112 IonicContact OE2-NZ 2.75Å | ||
| 1835 | G | 83.9 | Confident | 85 | Confident | 27 Ų | 27 | 30.1 Ų | 30.1 | 28% | 0.278 | 20% | 0.204 | S | C | . | . | trans | -93.1 | -156.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | H1838 E1864 | G1835-H1838 PolarHBondContact O-CE1 2.88Å; G1835-H1838 VanDerWaalsContact O-CE1 3.27Å; G1835-E1864 WeakPolarHBondContact CA-O 3.17Å | ||
| 1836 | G | 85 | Confident | 84.9 | Confident | 22 Ų | 22 | 29.8 Ų | 29.8 | 23% | 0.227 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 115.5 | 177.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | H1838 K1839 A1865 | G1836-H1838 PolarHBondContact O-N 2.92Å; G1836-H1838 VanDerWaalsContact O-N 3.15Å; G1836-K1839 PolarHBondContact O-N 3.14Å; G1836-A1865 PolarHBondContact N-O 2.92Å; G1836-A1865 WeakPolarHBondContact O-CB 3.49Å |
| 1837 | S | 85.5 | Confident | 84.8 | Confident | 16 Ų | 16 | 29 Ų | 29 | 11% | 0.112 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -59.4 | -32.2 | -171.6 | 65.6 | 0 | 0 | 0 | 0 | 113.5 | K1839 V1840 V1913 H1914 | S1837-K1839 PolarHBondContact O-N 3.01Å; S1837-K1839 VanDerWaalsContact O-N 3.09Å; S1837-V1840 PolarHBondContact O-N 2.88Å; S1837-V1913 WeakPolarHBondContact OG-CG1 3.38Å; S1837-H1914 WeakPolarHBondContact CB-O 3.36Å; S1837-H1914 PolarHBondContact OG-O 2.71Å; S1837-H1914 VanDerWaalsContact OG-O 3.04Å |
| 1838 | H | 84.8 | Confident | 84 | Confident | 15 Ų | 15 | 32 Ų | 32 | 7% | 0.069 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -61.4 | -14 | 177.3 | 82.6 | -81.7 | 0 | 0 | 0 | 114.6 | G1835 G1836 F2096 P2110 | G1835-H1838 PolarHBondContact O-CE1 2.88Å; G1835-H1838 VanDerWaalsContact O-CE1 3.27Å; G1836-H1838 PolarHBondContact O-N 2.92Å; G1836-H1838 VanDerWaalsContact O-N 3.15Å; H1838-F2096 HydrophobicContact CB-CD1 3.64Å; H1838-F2096 HydrophobicContact CB-CE1 3.58Å; H1838-F2096 AromaticContact CG-CD1 3.94Å; H1838-F2096 AromaticContact CG-CE1 3.62Å; H1838-F2096 AromaticContact ND1-CE1 3.84Å; H1838-P2110 HydrophobicContact CB-CG 4.19Å |
| 1839 | K | 89.2 | Confident | 83.3 | Confident | 35 Ų | 35 | 33.2 Ų | 33.2 | 15% | 0.152 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -98.3 | -11.2 | 173.8 | -68.3 | -56.5 | -170.1 | -175.1 | 0 | 114.3 | G1836 S1837 H1841 E1864 A1865 | G1836-K1839 PolarHBondContact O-N 3.14Å; S1837-K1839 PolarHBondContact O-N 3.01Å; S1837-K1839 VanDerWaalsContact O-N 3.09Å; K1839-H1841 PolarHBondContact O-ND1 3Å; K1839-E1864 HydrophobicContact CB-CB 4.08Å; K1839-E1864 HydrophobicContact CD-CB 4.44Å; K1839-E1864 HydrophobicContact CG-CB 4.34Å; K1839-A1865 HydrophobicContact CB-CB 4.04Å |
| 1840 | V | 89.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -79.2 | 124.8 | 173.3 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | S1837 I1860 Y1861 A1865 L1870 F1910 I1915 P1916 | S1837-V1840 PolarHBondContact O-N 2.88Å; V1840-I1860 HydrophobicContact CG1-CG2 3.66Å; V1840-Y1861 WeakPolarHBondContact CA-O 3.41Å; V1840-A1865 HydrophobicContact CG2-CB 3.38Å; V1840-L1870 HydrophobicContact CG1-CD1 4.44Å; V1840-F1910 HydrophobicContact CG2-CB 3.91Å; V1840-F1910 HydrophobicContact CG2-CD1 4.33Å; V1840-F1910 HydrophobicContact CG2-CD2 4.04Å; V1840-F1910 HydrophobicContact CG2-CG 3.84Å; V1840-I1915 HydrophobicContact CB-CB 4.22Å; V1840-I1915 HydrophobicContact CB-CG2 3.67Å; V1840-I1915 HydrophobicContact CG1-CB 4.49Å; V1840-I1915 HydrophobicContact CG1-CD1 4.17Å; V1840-I1915 HydrophobicContact CG1-CG2 3.86Å; V1840-I1915 HydrophobicContact CG2-CG2 4.36Å; V1840-P1916 VanDerWaalsContact O-CD 3.28Å; V1840-P1916 WeakPolarHBondContact O-CD 3.3Å | ||
| 1841 | H | 87.2 | Confident | 82.3 | Confident | 22 Ų | 22 | 36 Ų | 36 | 10% | 0.102 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 142.2 | 177.5 | -65.6 | 68.3 | 0 | 0 | 0 | 109.2 | K1839 I1860 Y1861 S2109 | K1839-H1841 PolarHBondContact O-ND1 3Å; H1841-I1860 WeakPolarHBondContact O-CA 3.36Å; H1841-Y1861 PolarHBondContact N-O 2.69Å; H1841-Y1861 PolarHBondContact O-N 3.16Å; H1841-S2109 PolarHBondContact NE2-O 2.86Å |
| 1842 | A | 90.6 | Very high | 82.3 | Confident | 16 Ų | 16 | 32 Ų | 32 | 13% | 0.132 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 144.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | L1847 N1859 I1860 I1908 I1915 F1920 | A1842-L1847 HydrophobicContact CB-CD1 3.73Å; A1842-N1859 CarbonylContact C-O 3.57Å; A1842-N1859 VanDerWaalsContact CA-O 3.26Å; A1842-N1859 WeakPolarHBondContact CA-O 3.35Å; A1842-I1860 HydrophobicContact CB-CG1 4.4Å; A1842-I1908 HydrophobicContact CB-CD1 3.54Å; A1842-I1915 HydrophobicContact CB-CD1 3.69Å; A1842-F1920 HydrophobicContact CB-CE2 4.44Å; A1842-F1920 HydrophobicContact CB-CZ 4.39Å |
| 1843 | G | 86.8 | Confident | 82.5 | Confident | 7 Ų | 7 | 33.8 Ų | 33.8 | 7% | 0.072 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.9 | 130.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | A1821 N1859 | A1821-G1843 WeakPolarHBondContact O-CA 3.34Å; G1843-N1859 PolarHBondContact N-O 2.95Å; G1843-N1859 PolarHBondContact O-N 3.04Å; G1843-N1859 PolarHBondContact O-ND2 3.19Å |
| 1844 | G | 85.9 | Confident | 83 | Confident | 15 Ų | 15 | 34.7 Ų | 34.7 | 16% | 0.155 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 162.8 | 170.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G1846 L1847 | G1844-G1846 PolarHBondContact O-N 2.87Å; G1844-L1847 PolarHBondContact O-N 2.97Å; G1844-L1847 VanDerWaalsContact O-N 3.16Å |
| 1845 | A | 78.8 | Confident | 83.5 | Confident | 72 Ų | 72 | 31.9 Ų | 31.9 | 60% | 0.595 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -58 | -36.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1847 I1848 S1849 | A1845-L1847 PolarHBondContact O-N 3.1Å; A1845-I1848 WeakPolarHBondContact O-CB 3.23Å; A1845-I1848 PolarHBondContact O-N 2.94Å; A1845-S1849 PolarHBondContact O-N 2.91Å; A1845-S1849 VanDerWaalsContact O-N 3.16Å; A1845-S1849 VanDerWaalsContact O-O 3.11Å |
| 1846 | G | 85.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -67.8 | -0.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | G1844 F1857 Y1896 | G1844-G1846 PolarHBondContact O-N 2.87Å; G1846-F1857 PolarHBondContact N-O 3.1Å; G1846-Y1896 VanDerWaalsContact O-CE1 3.31Å; G1846-Y1896 WeakPolarHBondContact O-CE1 3.38Å; G1846-Y1896 PolarHBondContact O-OH 2.81Å |
| 1847 | L | 85.5 | Confident | 84.1 | Confident | 13 Ų | 13 | 32.2 Ų | 32.2 | 7% | 0.068 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -105.8 | 9 | 167.8 | -63.3 | 177.5 | 0 | 0 | 0 | 112.9 | A1842 G1844 A1845 F1858 I1906 I1908 F1920 | A1842-L1847 HydrophobicContact CB-CD1 3.73Å; G1844-L1847 PolarHBondContact O-N 2.97Å; G1844-L1847 VanDerWaalsContact O-N 3.16Å; A1845-L1847 PolarHBondContact O-N 3.1Å; L1847-F1858 HydrophobicContact CD1-CB 3.91Å; L1847-F1858 HydrophobicContact CD1-CD1 4.47Å; L1847-F1858 HydrophobicContact CD1-CD2 3.78Å; L1847-F1858 HydrophobicContact CD1-CE2 4.37Å; L1847-F1858 HydrophobicContact CD1-CG 3.82Å; L1847-F1858 HydrophobicContact CD2-CD1 3.68Å; L1847-F1858 HydrophobicContact CD2-CD2 4.11Å; L1847-F1858 HydrophobicContact CD2-CE1 3.71Å; L1847-F1858 HydrophobicContact CD2-CE2 4.14Å; L1847-F1858 HydrophobicContact CD2-CG 3.88Å; L1847-F1858 HydrophobicContact CD2-CZ 3.93Å; L1847-F1858 HydrophobicContact CG-CB 3.71Å; L1847-F1858 HydrophobicContact CG-CD1 3.75Å; L1847-F1858 HydrophobicContact CG-CD2 3.98Å; L1847-F1858 HydrophobicContact CG-CE1 4.3Å; L1847-F1858 HydrophobicContact CG-CE2 4.5Å; L1847-F1858 HydrophobicContact CG-CG 3.56Å; L1847-I1906 HydrophobicContact CD2-CB 4.2Å; L1847-I1906 HydrophobicContact CD2-CD1 4.25Å; L1847-I1906 HydrophobicContact CD2-CG2 3.88Å; L1847-I1908 HydrophobicContact CD1-CD1 4.25Å; L1847-I1908 HydrophobicContact CD2-CD1 4.33Å; L1847-F1920 HydrophobicContact CB-CD1 4.12Å; L1847-F1920 HydrophobicContact CB-CG 4.28Å; L1847-F1920 HydrophobicContact CD1-CD1 4.28Å; L1847-F1920 HydrophobicContact CD1-CD2 4.25Å; L1847-F1920 HydrophobicContact CD1-CE1 4.2Å; L1847-F1920 HydrophobicContact CD1-CE2 4.18Å; L1847-F1920 HydrophobicContact CD1-CG 4.32Å; L1847-F1920 HydrophobicContact CD1-CZ 4.16Å; L1847-F1920 HydrophobicContact CD2-CB 4.07Å; L1847-F1920 HydrophobicContact CD2-CD2 3.97Å; L1847-F1920 HydrophobicContact CD2-CG 3.94Å; L1847-F1920 HydrophobicContact CG-CG 4.4Å |
| 1848 | I | 74.2 | Confident | 84.5 | Confident | 74 Ų | 74 | 31.5 Ų | 31.5 | 38% | 0.379 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -55.8 | -177.3 | -53.5 | 175.5 | 0 | 0 | 0 | 109.8 | A1821 A1845 | A1821-I1848 HydrophobicContact CB-CD1 4.45Å; A1845-I1848 WeakPolarHBondContact O-CB 3.23Å; A1845-I1848 PolarHBondContact O-N 2.94Å |
| 1849 | S | 75.5 | Confident | 84.9 | Confident | 36 Ų | 36 | 31.3 Ų | 31.3 | 25% | 0.252 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 174 | 178.1 | 59.2 | 0 | 0 | 0 | 0 | 111.4 | A1845 F1923 | A1845-S1849 PolarHBondContact O-N 2.91Å; A1845-S1849 VanDerWaalsContact O-N 3.16Å; A1845-S1849 VanDerWaalsContact O-O 3.11Å; S1849-F1923 WeakPolarHBondContact CA-O 3.3Å |
| 1850 | G | 77.2 | Confident | 85.1 | Confident | 15 Ų | 15 | 29.7 Ų | 29.7 | 16% | 0.155 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.4 | -179.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1856 F1923 V1924 S1925 | G1850-L1856 VanDerWaalsContact CA-CD2 3.45Å; G1850-F1923 PolarHBondContact N-O 3.5Å; G1850-F1923 VanDerWaalsContact N-O 3.13Å; G1850-V1924 CarbonylContact O-C 3.47Å; G1850-V1924 WeakPolarHBondContact O-CA 3.31Å; G1850-S1925 PolarHBondContact O-N 2.84Å; G1850-S1925 PolarHBondContact O-OG 2.63Å; G1850-S1925 VanDerWaalsContact O-OG 3.13Å |
| 1851 | E | 76 | Confident | 85.1 | Confident | 45 Ų | 45 | 30 Ų | 30 | 21% | 0.21 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 143 | 176.8 | -175.2 | 176.1 | -163.3 | 0 | 0 | 109.1 | L1854 S1925 S1927 T1928 | E1851-L1854 HydrophobicContact CB-CD1 4.14Å; E1851-L1854 HydrophobicContact CB-CG 4.47Å; E1851-L1854 PolarHBondContact O-N 2.63Å; E1851-L1854 WeakPolarHBondContact OE2-CD1 3.44Å; E1851-S1925 WeakPolarHBondContact CA-OG 3.23Å; E1851-S1927 WeakPolarHBondContact OE1-CA 3.21Å; E1851-T1928 WeakPolarHBondContact OE1-CB 3.47Å; E1851-T1928 WeakPolarHBondContact OE1-CG2 3.48Å; E1851-T1928 PolarHBondContact OE1-N 2.85Å; E1851-T1928 PolarHBondContact OE1-OG1 3.03Å |
| 1852 | V | 79.5 | Confident | 85.2 | Confident | 10 Ų | 10 | 29.4 Ų | 29.4 | 6% | 0.061 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 148.3 | 179.4 | -71.7 | 0 | 0 | 0 | 0 | 112.4 | L1854 K1900 P1901 V1924 S1925 S1927 | V1852-L1854 PolarHBondContact O-N 3.3Å; V1852-K1900 WeakPolarHBondContact CG1-O 3.41Å; V1852-P1901 HydrophobicContact CG1-CB 4.27Å; V1852-P1901 VanDerWaalsContact CG1-N 3.32Å; V1852-V1924 HydrophobicContact CG1-CG1 3.99Å; V1852-S1925 WeakPolarHBondContact CG1-O 3.48Å; V1852-S1925 PolarHBondContact N-O 2.87Å; V1852-S1927 VanDerWaalsContact CG2-N 3.29Å |
| 1853 | N | 81.9 | Confident | 85.1 | Confident | 78 Ų | 78 | 29.9 Ų | 29.9 | 42% | 0.417 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | -0.9 | 178 | -58.2 | -63.7 | 0 | 0 | 0 | 115.9 | K1897 V1898 | N1853-K1897 WeakPolarHBondContact O-CD 3.4Å; N1853-K1897 WeakPolarHBondContact O-CE 3.39Å; N1853-K1897 PolarHBondContact O-NZ 3.16Å; N1853-V1898 PolarHBondContact N-O 2.84Å |
| 1854 | L | 82.8 | Confident | 85.2 | Confident | 87 Ų | 87 | 30.3 Ų | 30.3 | 46% | 0.455 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -86.9 | 149.3 | 164.6 | -61.5 | -170.5 | 0 | 0 | 0 | 111 | E1851 V1852 | E1851-L1854 HydrophobicContact CB-CD1 4.14Å; E1851-L1854 HydrophobicContact CB-CG 4.47Å; E1851-L1854 PolarHBondContact O-N 2.63Å; E1851-L1854 WeakPolarHBondContact OE2-CD1 3.44Å; V1852-L1854 PolarHBondContact O-N 3.3Å |
| 1855 | P | 88.2 | Confident | 85.3 | Confident | 64 Ų | 64 | 29.8 Ų | 29.8 | 42% | 0.416 | 17% | 0.174 | S | C | . | . | P | Polyproline II helix | trans | -77 | 120.1 | 170.1 | 30.9 | -31.6 | 0 | 0 | 0 | 110.2 | F1857 M1895 | P1855-F1857 HydrophobicContact CB-CE2 3.71Å; P1855-F1857 HydrophobicContact CB-CZ 4.01Å; P1855-F1857 HydrophobicContact CG-CE2 3.88Å; P1855-F1857 HydrophobicContact CG-CZ 4.34Å; P1855-F1857 VanDerWaalsContact O-CD2 3.28Å; P1855-F1857 WeakPolarHBondContact O-CD2 3.16Å; P1855-F1857 VanDerWaalsContact O-CE2 3.3Å; P1855-F1857 WeakPolarHBondContact O-CE2 3.49Å; P1855-M1895 HydrophobicContact CB-CG 3.71Å; P1855-M1895 HydrophobicContact CB-SD 3.73Å |
| 1856 | L | 89.5 | Confident | 85.4 | Confident | 19 Ų | 19 | 26.7 Ų | 26.7 | 10% | 0.099 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 132 | -179.5 | -61.4 | 171 | 0 | 0 | 0 | 109.4 | G1850 M1895 Y1896 V1924 | G1850-L1856 VanDerWaalsContact CA-CD2 3.45Å; L1856-M1895 CarbonylContact O-C 3.48Å; L1856-M1895 WeakPolarHBondContact O-CA 3.46Å; L1856-Y1896 HydrophobicContact CB-CD1 4.04Å; L1856-Y1896 HydrophobicContact CB-CE1 3.6Å; L1856-Y1896 HydrophobicContact CB-CE2 4.14Å; L1856-Y1896 HydrophobicContact CB-CG 4.49Å; L1856-Y1896 HydrophobicContact CD1-CE1 4.48Å; L1856-Y1896 HydrophobicContact CD1-CE2 3.67Å; L1856-Y1896 PolarHBondContact N-O 2.92Å; L1856-Y1896 WeakPolarHBondContact O-CD1 3.32Å; L1856-Y1896 PolarHBondContact O-N 2.81Å; L1856-V1924 HydrophobicContact CD1-CG2 4.15Å |
| 1857 | F | 91.7 | Very high | 85.3 | Confident | 38 Ų | 38 | 30.6 Ų | 30.6 | 17% | 0.167 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 142.7 | -169.8 | -64.3 | -96.9 | 0 | 0 | 0 | 113 | K1764 P1766 G1846 P1855 Y1893 V1894 M1895 | K1764-F1857 HydrophobicContact CG-CD1 3.91Å; K1764-F1857 HydrophobicContact CG-CE1 4.37Å; K1764-F1857 HydrophobicContact CG-CG 4.43Å; P1766-F1857 HydrophobicContact CB-CD2 4.44Å; P1766-F1857 HydrophobicContact CG-CB 3.89Å; P1766-F1857 HydrophobicContact CG-CD2 3.56Å; P1766-F1857 HydrophobicContact CG-CE2 4.16Å; P1766-F1857 HydrophobicContact CG-CG 3.77Å; G1846-F1857 PolarHBondContact N-O 3.1Å; P1855-F1857 HydrophobicContact CB-CE2 3.71Å; P1855-F1857 HydrophobicContact CB-CZ 4.01Å; P1855-F1857 HydrophobicContact CG-CE2 3.88Å; P1855-F1857 HydrophobicContact CG-CZ 4.34Å; P1855-F1857 VanDerWaalsContact O-CD2 3.28Å; P1855-F1857 WeakPolarHBondContact O-CD2 3.16Å; P1855-F1857 VanDerWaalsContact O-CE2 3.3Å; P1855-F1857 WeakPolarHBondContact O-CE2 3.49Å; F1857-Y1893 AromaticContact CD1-CD2 3.98Å; F1857-Y1893 HydrophobicContact CD1-CD2 3.98Å; F1857-Y1893 HydrophobicContact CD1-CE2 4.12Å; F1857-Y1893 HydrophobicContact CE1-CD2 4.4Å; F1857-Y1893 HydrophobicContact CE1-CE2 4.07Å; F1857-V1894 WeakPolarHBondContact CA-O 3.36Å; F1857-M1895 HydrophobicContact CD1-CB 3.88Å; F1857-M1895 HydrophobicContact CD1-CG 4.09Å; F1857-M1895 HydrophobicContact CE1-CB 3.67Å; F1857-M1895 HydrophobicContact CE1-CG 3.6Å; F1857-M1895 HydrophobicContact CE2-CG 4.29Å; F1857-M1895 HydrophobicContact CZ-CB 4.32Å; F1857-M1895 HydrophobicContact CZ-CG 3.72Å |
| 1858 | F | 93.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 148.4 | 164.2 | 60 | -92.4 | 0 | 0 | 0 | 111.8 | L1847 I1860 V1872 Y1893 V1894 Y1896 I1906 I1908 | L1847-F1858 HydrophobicContact CD1-CB 3.91Å; L1847-F1858 HydrophobicContact CD1-CD1 4.47Å; L1847-F1858 HydrophobicContact CD1-CD2 3.78Å; L1847-F1858 HydrophobicContact CD1-CE2 4.37Å; L1847-F1858 HydrophobicContact CD1-CG 3.82Å; L1847-F1858 HydrophobicContact CD2-CD1 3.68Å; L1847-F1858 HydrophobicContact CD2-CD2 4.11Å; L1847-F1858 HydrophobicContact CD2-CE1 3.71Å; L1847-F1858 HydrophobicContact CD2-CE2 4.14Å; L1847-F1858 HydrophobicContact CD2-CG 3.88Å; L1847-F1858 HydrophobicContact CD2-CZ 3.93Å; L1847-F1858 HydrophobicContact CG-CB 3.71Å; L1847-F1858 HydrophobicContact CG-CD1 3.75Å; L1847-F1858 HydrophobicContact CG-CD2 3.98Å; L1847-F1858 HydrophobicContact CG-CE1 4.3Å; L1847-F1858 HydrophobicContact CG-CE2 4.5Å; L1847-F1858 HydrophobicContact CG-CG 3.56Å; F1858-I1860 HydrophobicContact CD2-CG1 4.06Å; F1858-I1860 HydrophobicContact CE2-CD1 3.94Å; F1858-I1860 HydrophobicContact CE2-CG1 3.96Å; F1858-V1872 HydrophobicContact CZ-CG1 3.95Å; F1858-Y1893 CarbonylContact O-C 3.54Å; F1858-Y1893 WeakPolarHBondContact O-CA 3.45Å; F1858-Y1893 WeakPolarHBondContact O-CB 3.45Å; F1858-V1894 HydrophobicContact CD1-CB 4.33Å; F1858-V1894 HydrophobicContact CD2-CB 4.21Å; F1858-V1894 HydrophobicContact CD2-CG2 4.49Å; F1858-V1894 HydrophobicContact CE1-CB 3.88Å; F1858-V1894 HydrophobicContact CE1-CG1 3.86Å; F1858-V1894 HydrophobicContact CE2-CB 3.74Å; F1858-V1894 HydrophobicContact CE2-CG1 4.42Å; F1858-V1894 HydrophobicContact CE2-CG2 3.77Å; F1858-V1894 HydrophobicContact CG-CB 4.49Å; F1858-V1894 HydrophobicContact CZ-CB 3.58Å; F1858-V1894 HydrophobicContact CZ-CG1 3.75Å; F1858-V1894 HydrophobicContact CZ-CG2 3.88Å; F1858-V1894 PolarHBondContact N-O 2.81Å; F1858-V1894 VanDerWaalsContact N-O 3.1Å; F1858-V1894 PolarHBondContact O-N 3.02Å; F1858-Y1896 HydrophobicContact CD1-CD1 4.3Å; F1858-Y1896 HydrophobicContact CD1-CE1 4.08Å; F1858-Y1896 AromaticContact CE1-CD1 3.86Å; F1858-Y1896 HydrophobicContact CE1-CD1 3.86Å; F1858-Y1896 AromaticContact CE1-CE1 3.88Å; F1858-Y1896 HydrophobicContact CE1-CE1 3.88Å; F1858-I1906 HydrophobicContact CE1-CD1 4.41Å; F1858-I1906 HydrophobicContact CE1-CG2 4.21Å; F1858-I1906 HydrophobicContact CZ-CG2 3.97Å; F1858-I1908 HydrophobicContact CD2-CD1 4.16Å; F1858-I1908 HydrophobicContact CE2-CD1 3.44Å; F1858-I1908 VanDerWaalsContact CE2-CD1 3.44Å; F1858-I1908 HydrophobicContact CE2-CG1 4.29Å; F1858-I1908 HydrophobicContact CZ-CD1 4.03Å |
| 1859 | N | 93.7 | Very high | 85.9 | Confident | 12 Ų | 12 | 29.1 Ų | 29.1 | 6% | 0.064 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 151.1 | 177.5 | -57.7 | -79.4 | 0 | 0 | 0 | 110.1 | L1763 K1764 A1842 G1843 | L1763-N1859 HydrophobicContact CD2-CB 3.77Å; K1764-N1859 PolarHBondContact N-OD1 2.85Å; K1764-N1859 PolarHBondContact O-ND2 2.98Å; K1764-N1859 PolarHBondContact O-OD1 2.78Å; A1842-N1859 CarbonylContact C-O 3.57Å; A1842-N1859 VanDerWaalsContact CA-O 3.26Å; A1842-N1859 WeakPolarHBondContact CA-O 3.35Å; G1843-N1859 PolarHBondContact N-O 2.95Å; G1843-N1859 PolarHBondContact O-N 3.04Å; G1843-N1859 PolarHBondContact O-ND2 3.19Å |
| 1860 | I | 92.8 | Very high | 86.6 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 113.2 | 171.6 | -58.6 | 177.7 | 0 | 0 | 0 | 107.4 | V1840 H1841 A1842 F1858 L1870 V1872 G1892 V1894 I1908 | V1840-I1860 HydrophobicContact CG1-CG2 3.66Å; H1841-I1860 WeakPolarHBondContact O-CA 3.36Å; A1842-I1860 HydrophobicContact CB-CG1 4.4Å; F1858-I1860 HydrophobicContact CD2-CG1 4.06Å; F1858-I1860 HydrophobicContact CE2-CD1 3.94Å; F1858-I1860 HydrophobicContact CE2-CG1 3.96Å; I1860-L1870 HydrophobicContact CD1-CD1 4.39Å; I1860-L1870 HydrophobicContact CD1-CD2 3.91Å; I1860-L1870 HydrophobicContact CG2-CD1 4.12Å; I1860-L1870 HydrophobicContact CG2-CD2 4.07Å; I1860-V1872 HydrophobicContact CD1-CG2 3.78Å; I1860-G1892 PolarHBondContact N-O 3.27Å; I1860-G1892 PolarHBondContact O-N 2.9Å; I1860-V1894 HydrophobicContact CD1-CG2 3.64Å; I1860-V1894 HydrophobicContact CG1-CG2 4.43Å; I1860-I1908 HydrophobicContact CD1-CG2 4.44Å |
| 1861 | Y | 89.8 | Confident | 87.2 | Confident | 5 Ų | 5 | 26.8 Ų | 26.8 | 2% | 0.02 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 117.2 | 176.3 | -178.7 | -108.8 | 0 | 0 | 0 | 109.8 | M1761 F1825 Q1826 V1840 H1841 R1863 E1864 D1891 | M1761-Y1861 HydrophobicContact CE-CD2 3.45Å; M1761-Y1861 VanDerWaalsContact CE-CD2 3.45Å; M1761-Y1861 HydrophobicContact CE-CE2 3.75Å; M1761-Y1861 HydrophobicContact CE-CG 4.04Å; M1761-Y1861 HydrophobicContact SD-CD2 4.29Å; M1761-Y1861 HydrophobicContact SD-CE2 3.98Å; F1825-Y1861 HydrophobicContact CB-CD1 4.2Å; F1825-Y1861 HydrophobicContact CB-CE1 4.09Å; F1825-Y1861 AromaticContact CD1-CD1 3.96Å; F1825-Y1861 HydrophobicContact CD1-CD1 3.96Å; F1825-Y1861 AromaticContact CD1-CG 3.96Å; F1825-Y1861 HydrophobicContact CD1-CG 3.96Å; Q1826-Y1861 WeakPolarHBondContact O-CE1 3.43Å; Q1826-Y1861 VanDerWaalsContact O-CZ 3.27Å; Q1826-Y1861 PolarHBondContact O-OH 2.82Å; V1840-Y1861 WeakPolarHBondContact CA-O 3.41Å; H1841-Y1861 PolarHBondContact N-O 2.69Å; H1841-Y1861 PolarHBondContact O-N 3.16Å; Y1861-R1863 HydrophobicContact CE1-CB 4.35Å; Y1861-R1863 HydrophobicContact CE2-CB 3.78Å; Y1861-R1863 WeakPolarHBondContact OH-CD 3.35Å; Y1861-E1864 HydrophobicContact CE1-CG 4.46Å; Y1861-D1891 VanDerWaalsContact CD2-OD1 3.28Å; Y1861-D1891 WeakPolarHBondContact CD2-OD1 3.47Å; Y1861-D1891 WeakPolarHBondContact CE2-OD1 3.47Å |
| 1862 | S | 89 | Confident | 88 | Confident | 11 Ų | 11 | 24.7 Ų | 24.7 | 8% | 0.077 | 14% | 0.141 | C | C | . | . | trans | -133.2 | 6.6 | -169.3 | 56.1 | 0 | 0 | 0 | 0 | 114.6 | L1747 E1864 A1865 | L1747-S1862 WeakPolarHBondContact CD1-OG 3.09Å; S1862-E1864 VanDerWaalsContact C-N 3.25Å; S1862-E1864 PolarHBondContact O-N 3.2Å; S1862-E1864 VanDerWaalsContact O-N 3.17Å; S1862-A1865 WeakPolarHBondContact O-CB 3.31Å; S1862-A1865 PolarHBondContact O-N 3.43Å | ||
| 1863 | R | 88.8 | Confident | 88.4 | Confident | 25 Ų | 25 | 26.3 Ų | 26.3 | 9% | 0.094 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -46.3 | -48.2 | -177.3 | -177.5 | -172.2 | 168.3 | 75.6 | 6.6 | 112.9 | A1750 S1751 Y1827 T1828 F1832 Y1861 A1865 | A1750-R1863 HydrophobicContact CB-CB 4.38Å; A1750-R1863 HydrophobicContact CB-CG 3.66Å; S1751-R1863 PolarHBondContact O-NH2 2.9Å; Y1827-R1863 PolarHBondContact OH-NH1 2.83Å; T1828-R1863 PolarHBondContact O-NH2 2.8Å; F1832-R1863 HydrophobicContact CE1-CG 4.09Å; F1832-R1863 HydrophobicContact CZ-CG 4.42Å; Y1861-R1863 HydrophobicContact CE1-CB 4.35Å; Y1861-R1863 HydrophobicContact CE2-CB 3.78Å; Y1861-R1863 WeakPolarHBondContact OH-CD 3.35Å; R1863-A1865 VanDerWaalsContact C-N 3.34Å; R1863-A1865 PolarHBondContact O-N 2.86Å |
| 1864 | E | 89.3 | Confident | 88.7 | Confident | 17 Ų | 17 | 22.6 Ų | 22.6 | 8% | 0.079 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -83 | -5.5 | -174.2 | -53.6 | -56.9 | 137.9 | 0 | 0 | 113.7 | Q1826 T1828 G1835 K1839 Y1861 S1862 | Q1826-E1864 HydrophobicContact CB-CG 4.36Å; Q1826-E1864 WeakPolarHBondContact O-CG 3.36Å; T1828-E1864 WeakPolarHBondContact CB-OE2 3.28Å; T1828-E1864 PolarHBondContact N-OE1 2.92Å; T1828-E1864 VanDerWaalsContact OG1-CD 3.32Å; T1828-E1864 PolarHBondContact OG1-OE2 2.9Å; G1835-E1864 WeakPolarHBondContact CA-O 3.17Å; K1839-E1864 HydrophobicContact CB-CB 4.08Å; K1839-E1864 HydrophobicContact CD-CB 4.44Å; K1839-E1864 HydrophobicContact CG-CB 4.34Å; Y1861-E1864 HydrophobicContact CE1-CG 4.46Å; S1862-E1864 VanDerWaalsContact C-N 3.25Å; S1862-E1864 PolarHBondContact O-N 3.2Å; S1862-E1864 VanDerWaalsContact O-N 3.17Å |
| 1865 | A | 86.8 | Confident | 88.6 | Confident | 4 Ų | 4 | 20.6 Ų | 20.6 | 3% | 0.033 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -85.2 | -16.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | G1836 K1839 V1840 S1862 R1863 F1910 | G1836-A1865 PolarHBondContact N-O 2.92Å; G1836-A1865 WeakPolarHBondContact O-CB 3.49Å; K1839-A1865 HydrophobicContact CB-CB 4.04Å; V1840-A1865 HydrophobicContact CG2-CB 3.38Å; S1862-A1865 WeakPolarHBondContact O-CB 3.31Å; S1862-A1865 PolarHBondContact O-N 3.43Å; R1863-A1865 VanDerWaalsContact C-N 3.34Å; R1863-A1865 PolarHBondContact O-N 2.86Å; A1865-F1910 HydrophobicContact CB-CE1 4.08Å; A1865-F1910 HydrophobicContact CB-CE2 4.45Å; A1865-F1910 HydrophobicContact CB-CZ 4.03Å |
| 1866 | G | 82.5 | Confident | 87.8 | Confident | 7 Ų | 7 | 17.7 Ų | 17.7 | 7% | 0.072 | 10% | 0.096 | C | C | . | . | trans | 77.7 | -167.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q1749 F1910 | Q1749-G1866 VanDerWaalsContact OE1-CA 3.26Å; G1866-F1910 WeakPolarHBondContact O-CZ 3.36Å | ||
| 1867 | P | 83.8 | Confident | 86.7 | Confident | 82 Ų | 82 | 19.1 Ų | 19.1 | 53% | 0.532 | 11% | 0.107 | S | C | . | . | S | Bend | trans | -74.3 | 140.4 | -178.5 | 31.1 | -33.1 | 0 | 0 | 0 | 111.4 | L1747 | L1747-P1867 WeakPolarHBondContact O-CA 3.09Š|
| 1868 | G | 81.5 | Confident | 85.8 | Confident | 12 Ų | 12 | 17.5 Ų | 17.5 | 12% | 0.124 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.1 | 174.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1747 N1911 | L1747-G1868 PolarHBondContact N-O 3.15Å; L1747-G1868 PolarHBondContact O-N 2.53Å; L1747-G1868 VanDerWaalsContact O-N 3.14Å; G1868-N1911 WeakPolarHBondContact CA-OD1 3.44Å |
| 1869 | L | 89.5 | Confident | 85 | Confident | 44 Ų | 44 | 23.5 Ų | 23.5 | 23% | 0.23 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 106.8 | 176.8 | -177.6 | 61.8 | 0 | 0 | 0 | 109.8 | E1744 V1746 Q1871 F1910 N1911 | E1744-L1869 HydrophobicContact CB-CD1 4.27Å; V1746-L1869 HydrophobicContact CG2-CD1 4.08Å; L1869-Q1871 HydrophobicContact CD2-CG 4.2Å; L1869-Q1871 HydrophobicContact CG-CG 3.94Å; L1869-F1910 CarbonylContact O-C 3.58Å; L1869-F1910 WeakPolarHBondContact O-CA 3.49Å; L1869-N1911 PolarHBondContact N-OD1 2.93Å; L1869-N1911 PolarHBondContact O-N 3.27Å |
| 1870 | L | 89.9 | Confident | 84.4 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 132.4 | 165.3 | 179.9 | 71.6 | 0 | 0 | 0 | 108.9 | E1744 K1745 L1747 V1840 I1860 Y1884 I1908 K1909 | E1744-L1870 WeakPolarHBondContact CA-O 3.38Å; K1745-L1870 HydrophobicContact CB-CB 4.45Å; K1745-L1870 PolarHBondContact N-O 3.04Å; K1745-L1870 WeakPolarHBondContact O-CB 3.21Å; K1745-L1870 PolarHBondContact O-N 2.93Å; L1747-L1870 HydrophobicContact CD1-CB 3.76Å; L1747-L1870 HydrophobicContact CD1-CD2 4.19Å; L1747-L1870 HydrophobicContact CD1-CG 4.43Å; L1747-L1870 HydrophobicContact CD2-CD2 4.45Å; L1747-L1870 HydrophobicContact CG-CB 3.92Å; V1840-L1870 HydrophobicContact CG1-CD1 4.44Å; I1860-L1870 HydrophobicContact CD1-CD1 4.39Å; I1860-L1870 HydrophobicContact CD1-CD2 3.91Å; I1860-L1870 HydrophobicContact CG2-CD1 4.12Å; I1860-L1870 HydrophobicContact CG2-CD2 4.07Å; L1870-Y1884 HydrophobicContact CD2-CD2 3.97Å; L1870-Y1884 HydrophobicContact CD2-CE2 3.5Å; L1870-I1908 HydrophobicContact CD1-CG2 4Å; L1870-K1909 WeakPolarHBondContact CA-O 3.27Å |
| 1871 | Q | 91.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 137.5 | 175.9 | -52.3 | 165.8 | -20.9 | 0 | 0 | 108.5 | E1744 L1869 Y1873 I1908 K1909 D1912 | E1744-Q1871 HydrophobicContact CG-CG 4.23Å; L1869-Q1871 HydrophobicContact CD2-CG 4.2Å; L1869-Q1871 HydrophobicContact CG-CG 3.94Å; Q1871-Y1873 HydrophobicContact CB-CD2 4.31Å; Q1871-Y1873 HydrophobicContact CB-CE2 3.55Å; Q1871-Y1873 HydrophobicContact CG-CE2 4.44Å; Q1871-Y1873 PolarHBondContact OE1-OH 2.95Å; Q1871-I1908 WeakPolarHBondContact O-CA 3.5Å; Q1871-K1909 HydrophobicContact CB-CB 4.29Å; Q1871-K1909 PolarHBondContact N-O 3.08Å; Q1871-K1909 PolarHBondContact O-N 2.98Å; Q1871-D1912 PolarHBondContact NE2-OD1 3.47Å |
| 1872 | V | 92.1 | Very high | 84.1 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 120.4 | 175.3 | 178.3 | 0 | 0 | 0 | 0 | 107.9 | K1742 T1743 F1858 I1860 V1894 I1906 A1907 I1908 | K1742-V1872 CarbonylContact C-O 3.58Å; K1742-V1872 WeakPolarHBondContact CA-O 3.17Å; K1742-V1872 WeakPolarHBondContact CB-O 3.44Å; T1743-V1872 HydrophobicContact CG2-CB 4.03Å; T1743-V1872 PolarHBondContact N-O 2.84Å; T1743-V1872 PolarHBondContact O-N 2.84Å; F1858-V1872 HydrophobicContact CZ-CG1 3.95Å; I1860-V1872 HydrophobicContact CD1-CG2 3.78Å; V1872-V1894 HydrophobicContact CG1-CG1 4.42Å; V1872-V1894 HydrophobicContact CG1-CG2 4.38Å; V1872-V1894 HydrophobicContact CG2-CG2 4.1Å; V1872-I1906 HydrophobicContact CG1-CG2 4.35Å; V1872-A1907 WeakPolarHBondContact CA-O 3.18Å; V1872-I1908 HydrophobicContact CG1-CG1 4.44Å; V1872-I1908 HydrophobicContact CG2-CG1 4.31Å; V1872-I1908 HydrophobicContact CG2-CG2 4.24Å |
| 1873 | Y | 87.8 | Confident | 84.1 | Confident | 43 Ų | 43 | 30.9 Ų | 30.9 | 17% | 0.169 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 140.6 | 177.2 | -55.3 | -106.5 | 0 | 0 | 0 | 109.1 | T1740 E1741 K1742 Q1871 I1906 A1907 K1909 | T1740-Y1873 HydrophobicContact CG2-CD1 4.11Å; E1741-Y1873 CarbonylContact O-C 3.57Å; E1741-Y1873 WeakPolarHBondContact O-CA 3.36Å; K1742-Y1873 HydrophobicContact CB-CD1 3.77Å; K1742-Y1873 HydrophobicContact CB-CE1 4.19Å; K1742-Y1873 HydrophobicContact CB-CG 4.2Å; K1742-Y1873 HydrophobicContact CD-CD1 4.23Å; K1742-Y1873 HydrophobicContact CD-CE1 3.83Å; Q1871-Y1873 HydrophobicContact CB-CD2 4.31Å; Q1871-Y1873 HydrophobicContact CB-CE2 3.55Å; Q1871-Y1873 HydrophobicContact CG-CE2 4.44Å; Q1871-Y1873 PolarHBondContact OE1-OH 2.95Å; Y1873-I1906 CarbonylContact O-C 3.56Å; Y1873-I1906 VanDerWaalsContact O-CA 3.29Å; Y1873-I1906 WeakPolarHBondContact O-CA 3.44Å; Y1873-A1907 HydrophobicContact CD2-CB 4.35Å; Y1873-A1907 PolarHBondContact N-O 3.41Å; Y1873-A1907 PolarHBondContact O-N 2.89Å; Y1873-K1909 HydrophobicContact CE2-CD 4.1Å |
| 1874 | V | 87.1 | Confident | 84.2 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 106.4 | 171 | -179.8 | 0 | 0 | 0 | 0 | 106.9 | T1740 E1741 A1880 V1882 Y1896 V1898 Y1904 I1906 | T1740-V1874 WeakPolarHBondContact CA-O 3.44Å; E1741-V1874 PolarHBondContact N-O 3.36Å; E1741-V1874 PolarHBondContact O-N 3.11Å; V1874-A1880 HydrophobicContact CB-CB 3.94Å; V1874-A1880 HydrophobicContact CG1-CB 3.69Å; V1874-V1882 HydrophobicContact CB-CG2 4.07Å; V1874-V1882 HydrophobicContact CG2-CG1 4.33Å; V1874-V1882 HydrophobicContact CG2-CG2 3.77Å; V1874-Y1896 HydrophobicContact CG1-CD2 4.19Å; V1874-Y1896 HydrophobicContact CG1-CE2 4.49Å; V1874-Y1896 HydrophobicContact CG2-CD2 4.37Å; V1874-Y1896 HydrophobicContact CG2-CG 4.29Å; V1874-V1898 HydrophobicContact CG1-CG1 4.38Å; V1874-Y1904 HydrophobicContact CG1-CD1 3.85Å; V1874-I1906 HydrophobicContact CG2-CD1 4.42Å; V1874-I1906 HydrophobicContact CG2-CG1 4.31Å |
| 1875 | E | 80.7 | Confident | 84.1 | Confident | 45 Ų | 45 | 34.3 Ų | 34.3 | 21% | 0.21 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 123.6 | -179.6 | 175.1 | -179.3 | 170.9 | 0 | 0 | 110 | K1556 S1738 I1739 T1740 Y1904 N1905 | K1556-E1875 IonicContact NZ-OE1 3.87Å; K1556-E1875 PolarHBondContact NZ-OE1 2.83Å; K1556-E1875 IonicContact NZ-OE2 2.91Å; S1738-E1875 WeakPolarHBondContact OG-CG 3.48Å; S1738-E1875 PolarHBondContact OG-OE1 2.82Å; I1739-E1875 WeakPolarHBondContact O-CA 3.2Å; T1740-E1875 HydrophobicContact CG2-CB 4.19Å; T1740-E1875 WeakPolarHBondContact OG1-CG 3.32Å; E1875-Y1904 CarbonylContact O-C 3.54Å; E1875-Y1904 VanDerWaalsContact O-CA 3.31Å; E1875-Y1904 WeakPolarHBondContact O-CA 3.34Å; E1875-N1905 HydrophobicContact CB-CB 4.45Å; E1875-N1905 PolarHBondContact N-O 3.42Å; E1875-N1905 PolarHBondContact O-N 3.35Å |
| 1876 | G | 71.9 | Confident | 84 | Confident | 3 Ų | 3 | 39 Ų | 39 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.6 | -163 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | I1739 S1878 | I1739-G1876 PolarHBondContact N-O 2.96Å; I1739-G1876 PolarHBondContact O-N 3.15Å; G1876-S1878 PolarHBondContact O-N 3.36Å; G1876-S1878 VanDerWaalsContact O-N 3.09Å |
| 1877 | P | 66 | Low | 84 | Confident | 49 Ų | 49 | 39.5 Ų | 39.5 | 32% | 0.318 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -63.7 | -13.2 | -169.6 | -28.6 | 36.8 | 0 | 0 | 0 | 117.7 | K1900 D1903 | P1877-K1900 HydrophobicContact CB-CB 4.26Å; P1877-K1900 WeakPolarHBondContact O-CD 3.47Å; P1877-D1903 WeakPolarHBondContact CD-O 3.48Å |
| 1878 | S | 74.2 | Confident | 83.4 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 3% | 0.028 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -138.4 | 156.5 | 177.3 | 69.5 | 0 | 0 | 0 | 0 | 112.7 | G1876 A1880 S1899 K1900 Y1904 | G1876-S1878 PolarHBondContact O-N 3.36Å; G1876-S1878 VanDerWaalsContact O-N 3.09Å; S1878-A1880 PolarHBondContact O-N 3.1Å; S1878-S1899 WeakPolarHBondContact CB-OG 3.38Å; S1878-S1899 PolarHBondContact OG-N 2.74Å; S1878-K1900 PolarHBondContact OG-N 2.81Å; S1878-Y1904 PolarHBondContact N-OH 3.15Å; S1878-Y1904 PolarHBondContact OG-OH 3.24Å |
| 1879 | K | 76.4 | Confident | 83 | Confident | 126 Ų | 126 | 45 Ų | 45 | 55% | 0.548 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -58.8 | 117.9 | 167.4 | -173.5 | -177.1 | 171.1 | 80.2 | 0 | 108.9 | I1739 E1741 | I1739-K1879 HydrophobicContact CG2-CB 4.11Å; E1741-K1879 HydrophobicContact CG-CB 4.42Å; E1741-K1879 HydrophobicContact CG-CG 3.53Å; E1741-K1879 WeakPolarHBondContact OE1-CG 3.38Å; E1741-K1879 IonicContact OE1-NZ 2.93Å; E1741-K1879 PolarHBondContact OE1-NZ 2.84Å; E1741-K1879 IonicContact OE2-NZ 3.39Å; E1741-K1879 PolarHBondContact OE2-NZ 2.8Å |
| 1880 | A | 81.8 | Confident | 82.1 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 2% | 0.017 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -83.2 | 136.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E1741 V1874 S1878 V1882 K1897 V1898 | E1741-A1880 HydrophobicContact CB-CB 4.25Å; E1741-A1880 WeakPolarHBondContact CB-O 3.25Å; E1741-A1880 WeakPolarHBondContact CG-O 3.46Å; V1874-A1880 HydrophobicContact CB-CB 3.94Å; V1874-A1880 HydrophobicContact CG1-CB 3.69Å; S1878-A1880 PolarHBondContact O-N 3.1Å; A1880-V1882 HydrophobicContact CB-CG2 3.66Å; A1880-K1897 CarbonylContact C-O 3.48Å; A1880-K1897 WeakPolarHBondContact CA-O 3.32Å; A1880-V1898 HydrophobicContact CB-CG1 3.57Å |
| 1881 | L | 86.3 | Confident | 81.4 | Confident | 94 Ų | 94 | 45 Ų | 45 | 49% | 0.492 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 128.2 | 152.9 | 178.4 | 65 | 0 | 0 | 0 | 106.9 | M1895 Y1896 K1897 | L1881-M1895 HydrophobicContact CD2-CE 4.1Å; L1881-M1895 HydrophobicContact CG-CE 4.47Å; L1881-Y1896 CarbonylContact O-C 3.46Å; L1881-Y1896 WeakPolarHBondContact O-CA 3.48Å; L1881-Y1896 WeakPolarHBondContact O-CB 3.28Å; L1881-K1897 HydrophobicContact CB-CB 4.46Å; L1881-K1897 PolarHBondContact N-O 2.85Å; L1881-K1897 PolarHBondContact O-N 3.37Å |
| 1882 | V | 89.8 | Confident | 81.2 | Confident | 20 Ų | 20 | 45.1 Ų | 45.1 | 12% | 0.121 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 117 | -179.5 | -168.7 | 0 | 0 | 0 | 0 | 109.7 | E1741 T1743 V1874 A1880 V1894 | E1741-V1882 HydrophobicContact CB-CG2 4.16Å; T1743-V1882 HydrophobicContact CG2-CG1 3.75Å; V1874-V1882 HydrophobicContact CB-CG2 4.07Å; V1874-V1882 HydrophobicContact CG2-CG1 4.33Å; V1874-V1882 HydrophobicContact CG2-CG2 3.77Å; A1880-V1882 HydrophobicContact CB-CG2 3.66Å; V1882-V1894 HydrophobicContact CG1-CG1 4.01Å |
| 1883 | E | 88.7 | Confident | 81.3 | Confident | 68 Ų | 68 | 47 Ų | 47 | 32% | 0.318 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 122 | -179.9 | -63.3 | -177.4 | 170.8 | 0 | 0 | 110.7 | K1885 V1894 M1895 | E1883-K1885 WeakPolarHBondContact OE2-CE 3.41Å; E1883-K1885 IonicContact OE2-NZ 2.73Å; E1883-K1885 PolarHBondContact OE2-NZ 3.09Å; E1883-V1894 WeakPolarHBondContact O-CA 3.46Å; E1883-M1895 HydrophobicContact CB-CE 4.15Å; E1883-M1895 HydrophobicContact CG-CE 3.92Å; E1883-M1895 PolarHBondContact N-O 2.93Å; E1883-M1895 PolarHBondContact O-N 2.79Å; E1883-M1895 WeakPolarHBondContact OE2-CE 3.32Å |
| 1884 | Y | 90.7 | Very high | 81.6 | Confident | 31 Ų | 31 | 44.9 Ų | 44.9 | 12% | 0.122 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 130.2 | 164.1 | 176.3 | -85.8 | 0 | 0 | 0 | 109.8 | K1745 L1870 E1886 G1892 V1894 | K1745-Y1884 HydrophobicContact CB-CD1 4.1Å; K1745-Y1884 HydrophobicContact CB-CE1 4.19Å; K1745-Y1884 HydrophobicContact CB-CG 4.37Å; K1745-Y1884 HydrophobicContact CD-CD1 4.02Å; K1745-Y1884 HydrophobicContact CD-CE1 3.78Å; K1745-Y1884 HydrophobicContact CG-CD1 3.95Å; K1745-Y1884 HydrophobicContact CG-CE1 3.6Å; L1870-Y1884 HydrophobicContact CD2-CD2 3.97Å; L1870-Y1884 HydrophobicContact CD2-CE2 3.5Å; Y1884-E1886 HydrophobicContact CE1-CB 4Å; Y1884-G1892 WeakPolarHBondContact OH-CA 3.3Å; Y1884-V1894 HydrophobicContact CD2-CG2 4.12Å |
| 1885 | K | 87.8 | Confident | 81.8 | Confident | 84 Ų | 84 | 45.8 Ų | 45.8 | 37% | 0.365 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 124.3 | 176.8 | -71.7 | 177.1 | -178.4 | 165.2 | 0 | 110.1 | E1883 G1892 Y1893 | E1883-K1885 WeakPolarHBondContact OE2-CE 3.41Å; E1883-K1885 IonicContact OE2-NZ 2.73Å; E1883-K1885 PolarHBondContact OE2-NZ 3.09Å; K1885-G1892 WeakPolarHBondContact O-CA 3.43Å; K1885-Y1893 HydrophobicContact CB-CD1 4.41Å; K1885-Y1893 HydrophobicContact CB-CD2 4.32Å; K1885-Y1893 HydrophobicContact CB-CE1 3.93Å; K1885-Y1893 HydrophobicContact CB-CE2 3.83Å; K1885-Y1893 HydrophobicContact CD-CE2 3.96Å; K1885-Y1893 HydrophobicContact CG-CE2 4.38Å; K1885-Y1893 PolarHBondContact N-O 3.02Å; K1885-Y1893 PolarHBondContact O-N 2.85Å |
| 1886 | E | 84.8 | Confident | 82.4 | Confident | 102 Ų | 102 | 43.6 Ų | 43.6 | 48% | 0.477 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 133.2 | 177.8 | -164.2 | 169.1 | -135.8 | 0 | 0 | 109.3 | K1745 Y1884 | K1745-E1886 VanDerWaalsContact CE-OE1 3.26Å; K1745-E1886 WeakPolarHBondContact CE-OE1 3.27Å; K1745-E1886 IonicContact NZ-OE1 3.14Å; K1745-E1886 PolarHBondContact NZ-OE1 3.44Å; K1745-E1886 IonicContact NZ-OE2 3.61Å; K1745-E1886 PolarHBondContact NZ-OE2 2.98Å; Y1884-E1886 HydrophobicContact CE1-CB 4Å |
| 1887 | T | 81.4 | Confident | 83.2 | Confident | 17 Ų | 17 | 47.5 Ų | 47.5 | 10% | 0.104 | 24% | 0.237 | C | C | . | . | trans | -91.5 | 172 | 178.3 | 66 | 0 | 0 | 0 | 0 | 111.2 | S1762 L1796 S1889 G1890 D1891 Y1893 | S1762-T1887 WeakPolarHBondContact CB-OG1 3.34Å; L1796-T1887 HydrophobicContact CD1-CG2 4.15Å; T1887-S1889 VanDerWaalsContact C-N 3.25Å; T1887-S1889 PolarHBondContact O-N 2.88Å; T1887-S1889 PolarHBondContact OG1-OG 3.44Å; T1887-G1890 PolarHBondContact O-N 2.94Å; T1887-D1891 WeakPolarHBondContact CB-O 3.1Å; T1887-D1891 WeakPolarHBondContact CG2-O 3.39Å; T1887-D1891 PolarHBondContact N-O 3Å; T1887-D1891 PolarHBondContact OG1-N 2.75Å; T1887-D1891 PolarHBondContact OG1-O 3.28Å; T1887-Y1893 HydrophobicContact CG2-CD1 3.94Å; T1887-Y1893 HydrophobicContact CG2-CE1 4.13Å | ||
| 1888 | K | 72.4 | Confident | 84.3 | Confident | 170 Ų | 170 | 45.3 Ų | 45.3 | 74% | 0.739 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -22.3 | -179.6 | -65.8 | 179.8 | -170.3 | 164.6 | 0 | 114.2 | E1792 G1890 | E1792-K1888 WeakPolarHBondContact OE1-CD 3.36Å; E1792-K1888 VanDerWaalsContact OE1-CE 3.3Å; E1792-K1888 WeakPolarHBondContact OE1-CE 3.18Å; E1792-K1888 IonicContact OE1-NZ 2.68Å; E1792-K1888 PolarHBondContact OE1-NZ 2.89Å; K1888-G1890 VanDerWaalsContact C-N 3.29Å |
| 1889 | S | 72.5 | Confident | 84.6 | Confident | 39 Ų | 39 | 48.2 Ų | 48.2 | 27% | 0.273 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -7.5 | 172.2 | 49.3 | 0 | 0 | 0 | 0 | 113.5 | I1760 S1762 T1887 D1891 | I1760-S1889 VanDerWaalsContact O-CB 3.26Å; I1760-S1889 WeakPolarHBondContact O-CB 2.94Å; S1762-S1889 WeakPolarHBondContact CB-OG 3.41Å; S1762-S1889 PolarHBondContact N-OG 2.61Å; S1762-S1889 PolarHBondContact OG-OG 2.76Å; T1887-S1889 VanDerWaalsContact C-N 3.25Å; T1887-S1889 PolarHBondContact O-N 2.88Å; T1887-S1889 PolarHBondContact OG1-OG 3.44Å; S1889-D1891 VanDerWaalsContact C-N 3.31Å; S1889-D1891 VanDerWaalsContact CB-OD2 3.29Å; S1889-D1891 WeakPolarHBondContact CB-OD2 3.32Å; S1889-D1891 PolarHBondContact OG-OD2 2.8Å |
| 1890 | G | 71.1 | Confident | 84.4 | Confident | 35 Ų | 35 | 48 Ų | 48 | 36% | 0.361 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 87.5 | -6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | T1887 K1888 | T1887-G1890 PolarHBondContact O-N 2.94Å; K1888-G1890 VanDerWaalsContact C-N 3.29Å |
| 1891 | D | 75.4 | Confident | 83.7 | Confident | 13 Ų | 13 | 50.7 Ų | 50.7 | 7% | 0.07 | 26% | 0.26 | C | S | . | . | trans | -68.9 | 152.4 | 170 | -53.9 | -64.7 | 0 | 0 | 0 | 110.5 | S1762 Y1861 T1887 S1889 | S1762-D1891 PolarHBondContact N-OD2 2.83Å; Y1861-D1891 VanDerWaalsContact CD2-OD1 3.28Å; Y1861-D1891 WeakPolarHBondContact CD2-OD1 3.47Å; Y1861-D1891 WeakPolarHBondContact CE2-OD1 3.47Å; T1887-D1891 WeakPolarHBondContact CB-O 3.1Å; T1887-D1891 WeakPolarHBondContact CG2-O 3.39Å; T1887-D1891 PolarHBondContact N-O 3Å; T1887-D1891 PolarHBondContact OG1-N 2.75Å; T1887-D1891 PolarHBondContact OG1-O 3.28Å; S1889-D1891 VanDerWaalsContact C-N 3.31Å; S1889-D1891 VanDerWaalsContact CB-OD2 3.29Å; S1889-D1891 WeakPolarHBondContact CB-OD2 3.32Å; S1889-D1891 PolarHBondContact OG-OD2 2.8Å | ||
| 1892 | G | 87.1 | Confident | 82.6 | Confident | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 153.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | I1860 Y1884 K1885 | I1860-G1892 PolarHBondContact N-O 3.27Å; I1860-G1892 PolarHBondContact O-N 2.9Å; Y1884-G1892 WeakPolarHBondContact OH-CA 3.3Å; K1885-G1892 WeakPolarHBondContact O-CA 3.43Å |
| 1893 | Y | 92.7 | Very high | 81.7 | Confident | 39 Ų | 39 | 49.9 Ų | 49.9 | 15% | 0.153 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 149.3 | 156.9 | 67.7 | -92.6 | 0 | 0 | 0 | 110.7 | K1764 L1796 F1857 F1858 K1885 T1887 | K1764-Y1893 HydrophobicContact CB-CD1 3.87Å; K1764-Y1893 HydrophobicContact CB-CD2 4.2Å; K1764-Y1893 HydrophobicContact CB-CE1 4.31Å; K1764-Y1893 HydrophobicContact CB-CG 3.81Å; K1764-Y1893 HydrophobicContact CG-CD2 4.13Å; K1764-Y1893 HydrophobicContact CG-CE2 4.26Å; K1764-Y1893 HydrophobicContact CG-CG 4.26Å; L1796-Y1893 HydrophobicContact CD1-CE1 4.42Å; F1857-Y1893 AromaticContact CD1-CD2 3.98Å; F1857-Y1893 HydrophobicContact CD1-CD2 3.98Å; F1857-Y1893 HydrophobicContact CD1-CE2 4.12Å; F1857-Y1893 HydrophobicContact CE1-CD2 4.4Å; F1857-Y1893 HydrophobicContact CE1-CE2 4.07Å; F1858-Y1893 CarbonylContact O-C 3.54Å; F1858-Y1893 WeakPolarHBondContact O-CA 3.45Å; F1858-Y1893 WeakPolarHBondContact O-CB 3.45Å; K1885-Y1893 HydrophobicContact CB-CD1 4.41Å; K1885-Y1893 HydrophobicContact CB-CD2 4.32Å; K1885-Y1893 HydrophobicContact CB-CE1 3.93Å; K1885-Y1893 HydrophobicContact CB-CE2 3.83Å; K1885-Y1893 HydrophobicContact CD-CE2 3.96Å; K1885-Y1893 HydrophobicContact CG-CE2 4.38Å; K1885-Y1893 PolarHBondContact N-O 3.02Å; K1885-Y1893 PolarHBondContact O-N 2.85Å; T1887-Y1893 HydrophobicContact CG2-CD1 3.94Å; T1887-Y1893 HydrophobicContact CG2-CE1 4.13Å |
| 1894 | V | 94.3 | Very high | 81.2 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 135.3 | 171.3 | 176.7 | 0 | 0 | 0 | 0 | 108.3 | F1857 F1858 I1860 V1872 V1882 E1883 Y1884 | F1857-V1894 WeakPolarHBondContact CA-O 3.36Å; F1858-V1894 HydrophobicContact CD1-CB 4.33Å; F1858-V1894 HydrophobicContact CD2-CB 4.21Å; F1858-V1894 HydrophobicContact CD2-CG2 4.49Å; F1858-V1894 HydrophobicContact CE1-CB 3.88Å; F1858-V1894 HydrophobicContact CE1-CG1 3.86Å; F1858-V1894 HydrophobicContact CE2-CB 3.74Å; F1858-V1894 HydrophobicContact CE2-CG1 4.42Å; F1858-V1894 HydrophobicContact CE2-CG2 3.77Å; F1858-V1894 HydrophobicContact CG-CB 4.49Å; F1858-V1894 HydrophobicContact CZ-CB 3.58Å; F1858-V1894 HydrophobicContact CZ-CG1 3.75Å; F1858-V1894 HydrophobicContact CZ-CG2 3.88Å; F1858-V1894 PolarHBondContact N-O 2.81Å; F1858-V1894 VanDerWaalsContact N-O 3.1Å; F1858-V1894 PolarHBondContact O-N 3.02Å; I1860-V1894 HydrophobicContact CD1-CG2 3.64Å; I1860-V1894 HydrophobicContact CG1-CG2 4.43Å; V1872-V1894 HydrophobicContact CG1-CG1 4.42Å; V1872-V1894 HydrophobicContact CG1-CG2 4.38Å; V1872-V1894 HydrophobicContact CG2-CG2 4.1Å; V1882-V1894 HydrophobicContact CG1-CG1 4.01Å; E1883-V1894 WeakPolarHBondContact O-CA 3.46Å; Y1884-V1894 HydrophobicContact CD2-CG2 4.12Å |
| 1895 | M | 92.4 | Very high | 80.7 | Confident | 18 Ų | 18 | 47.5 Ų | 47.5 | 9% | 0.089 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 132.8 | 159.9 | -176.8 | -78.9 | -62.7 | 0 | 0 | 107.6 | P1855 L1856 F1857 L1881 E1883 K1897 | P1855-M1895 HydrophobicContact CB-CG 3.71Å; P1855-M1895 HydrophobicContact CB-SD 3.73Å; L1856-M1895 CarbonylContact O-C 3.48Å; L1856-M1895 WeakPolarHBondContact O-CA 3.46Å; F1857-M1895 HydrophobicContact CD1-CB 3.88Å; F1857-M1895 HydrophobicContact CD1-CG 4.09Å; F1857-M1895 HydrophobicContact CE1-CB 3.67Å; F1857-M1895 HydrophobicContact CE1-CG 3.6Å; F1857-M1895 HydrophobicContact CE2-CG 4.29Å; F1857-M1895 HydrophobicContact CZ-CB 4.32Å; F1857-M1895 HydrophobicContact CZ-CG 3.72Å; L1881-M1895 HydrophobicContact CD2-CE 4.1Å; L1881-M1895 HydrophobicContact CG-CE 4.47Å; E1883-M1895 HydrophobicContact CB-CE 4.15Å; E1883-M1895 HydrophobicContact CG-CE 3.92Å; E1883-M1895 PolarHBondContact N-O 2.93Å; E1883-M1895 PolarHBondContact O-N 2.79Å; E1883-M1895 WeakPolarHBondContact OE2-CE 3.32Å; M1895-K1897 HydrophobicContact SD-CB 4.4Å |
| 1896 | Y | 93.8 | Very high | 80.7 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 153.5 | 166.9 | 74.6 | -81 | 0 | 0 | 0 | 111.9 | G1846 L1856 F1858 V1874 L1881 V1898 I1906 | G1846-Y1896 VanDerWaalsContact O-CE1 3.31Å; G1846-Y1896 WeakPolarHBondContact O-CE1 3.38Å; G1846-Y1896 PolarHBondContact O-OH 2.81Å; L1856-Y1896 HydrophobicContact CB-CD1 4.04Å; L1856-Y1896 HydrophobicContact CB-CE1 3.6Å; L1856-Y1896 HydrophobicContact CB-CE2 4.14Å; L1856-Y1896 HydrophobicContact CB-CG 4.49Å; L1856-Y1896 HydrophobicContact CD1-CE1 4.48Å; L1856-Y1896 HydrophobicContact CD1-CE2 3.67Å; L1856-Y1896 PolarHBondContact N-O 2.92Å; L1856-Y1896 WeakPolarHBondContact O-CD1 3.32Å; L1856-Y1896 PolarHBondContact O-N 2.81Å; F1858-Y1896 HydrophobicContact CD1-CD1 4.3Å; F1858-Y1896 HydrophobicContact CD1-CE1 4.08Å; F1858-Y1896 AromaticContact CE1-CD1 3.86Å; F1858-Y1896 HydrophobicContact CE1-CD1 3.86Å; F1858-Y1896 AromaticContact CE1-CE1 3.88Å; F1858-Y1896 HydrophobicContact CE1-CE1 3.88Å; V1874-Y1896 HydrophobicContact CG1-CD2 4.19Å; V1874-Y1896 HydrophobicContact CG1-CE2 4.49Å; V1874-Y1896 HydrophobicContact CG2-CD2 4.37Å; V1874-Y1896 HydrophobicContact CG2-CG 4.29Å; L1881-Y1896 CarbonylContact O-C 3.46Å; L1881-Y1896 WeakPolarHBondContact O-CA 3.48Å; L1881-Y1896 WeakPolarHBondContact O-CB 3.28Å; Y1896-V1898 HydrophobicContact CD2-CG1 4.27Å; Y1896-I1906 HydrophobicContact CD1-CD1 4.29Å; Y1896-I1906 HydrophobicContact CE1-CD1 3.55Å; Y1896-I1906 HydrophobicContact CE2-CD1 3.99Å; Y1896-I1906 WeakPolarHBondContact OH-CD1 3.27Å |
| 1897 | K | 88.5 | Confident | 80.8 | Confident | 85 Ų | 85 | 39.6 Ų | 39.6 | 37% | 0.37 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 128.5 | 179.5 | 168.7 | 167.2 | 161.9 | 154.2 | 0 | 109.7 | N1853 A1880 L1881 M1895 | N1853-K1897 WeakPolarHBondContact O-CD 3.4Å; N1853-K1897 WeakPolarHBondContact O-CE 3.39Å; N1853-K1897 PolarHBondContact O-NZ 3.16Å; A1880-K1897 CarbonylContact C-O 3.48Å; A1880-K1897 WeakPolarHBondContact CA-O 3.32Å; L1881-K1897 HydrophobicContact CB-CB 4.46Å; L1881-K1897 PolarHBondContact N-O 2.85Å; L1881-K1897 PolarHBondContact O-N 3.37Å; M1895-K1897 HydrophobicContact SD-CB 4.4Å |
| 1898 | V | 87.6 | Confident | 81.3 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | trans | -120 | 151.9 | -178.3 | -71.7 | 0 | 0 | 0 | 0 | 110.4 | N1853 V1874 A1880 Y1896 Y1904 V1924 | N1853-V1898 PolarHBondContact N-O 2.84Å; V1874-V1898 HydrophobicContact CG1-CG1 4.38Å; A1880-V1898 HydrophobicContact CB-CG1 3.57Å; Y1896-V1898 HydrophobicContact CD2-CG1 4.27Å; V1898-Y1904 HydrophobicContact CB-CE1 4.04Å; V1898-Y1904 HydrophobicContact CB-CE2 4.23Å; V1898-Y1904 HydrophobicContact CG1-CD1 4Å; V1898-Y1904 HydrophobicContact CG1-CE1 3.47Å; V1898-Y1904 VanDerWaalsContact CG1-CE1 3.47Å; V1898-Y1904 HydrophobicContact CG1-CE2 4.37Å; V1898-Y1904 HydrophobicContact CG2-CE2 3.96Å; V1898-V1924 HydrophobicContact CG2-CB 4.29Å; V1898-V1924 HydrophobicContact CG2-CG1 3.77Å; V1898-V1924 HydrophobicContact CG2-CG2 4.07Å | ||
| 1899 | S | 81.1 | Confident | 82.1 | Confident | 66 Ų | 66 | 32.3 Ų | 32.3 | 46% | 0.462 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -107 | -9.6 | -172.9 | 58.9 | 0 | 0 | 0 | 0 | 114.9 | S1878 | S1878-S1899 WeakPolarHBondContact CB-OG 3.38Å; S1878-S1899 PolarHBondContact OG-N 2.74Å |
| 1900 | K | 72 | Confident | 82.6 | Confident | 120 Ų | 120 | 30.6 Ų | 30.6 | 52% | 0.522 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -124.8 | 146.6 | 173.5 | -64.7 | -173.4 | -171.4 | 172.4 | 0 | 112.4 | V1852 P1877 S1878 Y1904 | V1852-K1900 WeakPolarHBondContact CG1-O 3.41Å; P1877-K1900 HydrophobicContact CB-CB 4.26Å; P1877-K1900 WeakPolarHBondContact O-CD 3.47Å; S1878-K1900 PolarHBondContact OG-N 2.81Å; K1900-Y1904 WeakPolarHBondContact O-CE2 3.35Å; K1900-Y1904 PolarHBondContact O-OH 3.15Å |
| 1901 | P | 67.1 | Low | 83.2 | Confident | 60 Ų | 60 | 32.3 Ų | 32.3 | 39% | 0.39 | 17% | 0.174 | S | C | . | . | trans | -73.7 | 166.9 | 176.5 | 33.6 | -38.2 | 0 | 0 | 0 | 112.4 | V1852 V1924 | V1852-P1901 HydrophobicContact CG1-CB 4.27Å; V1852-P1901 VanDerWaalsContact CG1-N 3.32Å; P1901-V1924 CarbonylContact C-O 3.57Å; P1901-V1924 WeakPolarHBondContact CA-O 3.13Å; P1901-V1924 VanDerWaalsContact CB-O 3.27Å; P1901-V1924 WeakPolarHBondContact CB-O 3.38Å | ||
| 1902 | G | 64.2 | Low | 83.3 | Confident | 17 Ų | 17 | 33.2 Ų | 33.2 | 18% | 0.175 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 130.4 | -172.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y1904 V1924 | G1902-Y1904 WeakPolarHBondContact O-CD2 3.43Å; G1902-Y1904 PolarHBondContact O-N 3.42Å; G1902-V1924 PolarHBondContact N-O 3.07Å; G1902-V1924 PolarHBondContact O-N 3.48Å |
| 1903 | D | 69.3 | Low | 82.9 | Confident | 79 Ų | 79 | 36.7 Ų | 36.7 | 42% | 0.422 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 122 | 173.2 | -92 | 14.7 | 0 | 0 | 0 | 110.8 | P1877 K1921 | P1877-D1903 WeakPolarHBondContact CD-O 3.48Å; D1903-K1921 IonicContact OD2-NZ 3.83Å; D1903-K1921 PolarHBondContact OD2-NZ 3.03Å |
| 1904 | Y | 79.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 139.4 | 165.1 | -71.6 | -94.1 | 0 | 0 | 0 | 110.3 | V1874 E1875 S1878 V1898 K1900 G1902 V1922 V1924 | V1874-Y1904 HydrophobicContact CG1-CD1 3.85Å; E1875-Y1904 CarbonylContact O-C 3.54Å; E1875-Y1904 VanDerWaalsContact O-CA 3.31Å; E1875-Y1904 WeakPolarHBondContact O-CA 3.34Å; S1878-Y1904 PolarHBondContact N-OH 3.15Å; S1878-Y1904 PolarHBondContact OG-OH 3.24Å; V1898-Y1904 HydrophobicContact CB-CE1 4.04Å; V1898-Y1904 HydrophobicContact CB-CE2 4.23Å; V1898-Y1904 HydrophobicContact CG1-CD1 4Å; V1898-Y1904 HydrophobicContact CG1-CE1 3.47Å; V1898-Y1904 VanDerWaalsContact CG1-CE1 3.47Å; V1898-Y1904 HydrophobicContact CG1-CE2 4.37Å; V1898-Y1904 HydrophobicContact CG2-CE2 3.96Å; K1900-Y1904 WeakPolarHBondContact O-CE2 3.35Å; K1900-Y1904 PolarHBondContact O-OH 3.15Å; G1902-Y1904 WeakPolarHBondContact O-CD2 3.43Å; G1902-Y1904 PolarHBondContact O-N 3.42Å; Y1904-V1922 PolarHBondContact N-O 2.88Å; Y1904-V1922 PolarHBondContact O-N 3.03Å; Y1904-V1924 HydrophobicContact CD2-CB 3.94Å; Y1904-V1924 HydrophobicContact CD2-CG2 3.61Å; Y1904-V1924 HydrophobicContact CE2-CB 3.98Å; Y1904-V1924 HydrophobicContact CE2-CG2 4.06Å; Y1904-V1924 HydrophobicContact CG-CG2 4.48Å |
| 1905 | N | 79.2 | Confident | 82 | Confident | 50 Ų | 50 | 38.6 Ų | 38.6 | 27% | 0.267 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 119 | 171.5 | -60.8 | -93.6 | 0 | 0 | 0 | 108.1 | E1875 F1920 | E1875-N1905 HydrophobicContact CB-CB 4.45Å; E1875-N1905 PolarHBondContact N-O 3.42Å; E1875-N1905 PolarHBondContact O-N 3.35Å; N1905-F1920 WeakPolarHBondContact CA-O 3.42Å |
| 1906 | I | 89.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 96.6 | 179.4 | -55.5 | -170.5 | 0 | 0 | 0 | 108.6 | L1847 F1858 V1872 Y1873 V1874 Y1896 I1908 P1919 F1920 V1922 | L1847-I1906 HydrophobicContact CD2-CB 4.2Å; L1847-I1906 HydrophobicContact CD2-CD1 4.25Å; L1847-I1906 HydrophobicContact CD2-CG2 3.88Å; F1858-I1906 HydrophobicContact CE1-CD1 4.41Å; F1858-I1906 HydrophobicContact CE1-CG2 4.21Å; F1858-I1906 HydrophobicContact CZ-CG2 3.97Å; V1872-I1906 HydrophobicContact CG1-CG2 4.35Å; Y1873-I1906 CarbonylContact O-C 3.56Å; Y1873-I1906 VanDerWaalsContact O-CA 3.29Å; Y1873-I1906 WeakPolarHBondContact O-CA 3.44Å; V1874-I1906 HydrophobicContact CG2-CD1 4.42Å; V1874-I1906 HydrophobicContact CG2-CG1 4.31Å; Y1896-I1906 HydrophobicContact CD1-CD1 4.29Å; Y1896-I1906 HydrophobicContact CE1-CD1 3.55Å; Y1896-I1906 HydrophobicContact CE2-CD1 3.99Å; Y1896-I1906 WeakPolarHBondContact OH-CD1 3.27Å; I1906-I1908 HydrophobicContact CG2-CG1 4.25Å; I1906-P1919 WeakPolarHBondContact O-CA 3.44Å; I1906-F1920 HydrophobicContact CB-CB 4.43Å; I1906-F1920 PolarHBondContact N-O 3.32Å; I1906-F1920 PolarHBondContact O-N 3.1Å; I1906-V1922 HydrophobicContact CD1-CB 4.41Å; I1906-V1922 HydrophobicContact CD1-CG2 3.78Å; I1906-V1922 HydrophobicContact CG1-CG2 4.11Å |
| 1907 | A | 86 | Confident | 80.9 | Confident | 19 Ų | 19 | 43.1 Ų | 43.1 | 16% | 0.157 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 112.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | V1872 Y1873 P1919 | V1872-A1907 WeakPolarHBondContact CA-O 3.18Å; Y1873-A1907 HydrophobicContact CD2-CB 4.35Å; Y1873-A1907 PolarHBondContact N-O 3.41Å; Y1873-A1907 PolarHBondContact O-N 2.89Å; A1907-P1919 HydrophobicContact CB-CB 4.02Å |
| 1908 | I | 92.2 | Very high | 80.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 124.2 | 169.6 | -52.6 | 174.3 | 0 | 0 | 0 | 108 | A1842 L1847 F1858 I1860 L1870 Q1871 V1872 I1906 I1915 S1918 F1920 | A1842-I1908 HydrophobicContact CB-CD1 3.54Å; L1847-I1908 HydrophobicContact CD1-CD1 4.25Å; L1847-I1908 HydrophobicContact CD2-CD1 4.33Å; F1858-I1908 HydrophobicContact CD2-CD1 4.16Å; F1858-I1908 HydrophobicContact CE2-CD1 3.44Å; F1858-I1908 VanDerWaalsContact CE2-CD1 3.44Å; F1858-I1908 HydrophobicContact CE2-CG1 4.29Å; F1858-I1908 HydrophobicContact CZ-CD1 4.03Å; I1860-I1908 HydrophobicContact CD1-CG2 4.44Å; L1870-I1908 HydrophobicContact CD1-CG2 4Å; Q1871-I1908 WeakPolarHBondContact O-CA 3.5Å; V1872-I1908 HydrophobicContact CG1-CG1 4.44Å; V1872-I1908 HydrophobicContact CG2-CG1 4.31Å; V1872-I1908 HydrophobicContact CG2-CG2 4.24Å; I1906-I1908 HydrophobicContact CG2-CG1 4.25Å; I1908-I1915 HydrophobicContact CB-CD1 3.84Å; I1908-I1915 HydrophobicContact CB-CG1 3.91Å; I1908-I1915 HydrophobicContact CD1-CD1 4.19Å; I1908-I1915 HydrophobicContact CG2-CD1 3.6Å; I1908-I1915 HydrophobicContact CG2-CG1 3.95Å; I1908-I1915 HydrophobicContact CG2-CG2 4.11Å; I1908-I1915 PolarHBondContact O-N 3.09Å; I1908-S1918 PolarHBondContact N-OG 3.06Å; I1908-S1918 WeakPolarHBondContact O-CB 3.32Å; I1908-S1918 PolarHBondContact O-OG 3.09Å; I1908-F1920 HydrophobicContact CD1-CD2 4.14Å; I1908-F1920 HydrophobicContact CD1-CE2 3.85Å; I1908-F1920 HydrophobicContact CG1-CD2 4.46Å; I1908-F1920 HydrophobicContact CG1-CE2 4.39Å |
| 1909 | K | 88.7 | Confident | 80.1 | Confident | 35 Ų | 35 | 43.1 Ų | 43.1 | 15% | 0.152 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 151.8 | 179 | -70.7 | 176.9 | 161 | -152.2 | 0 | 110.7 | D1507 L1870 Q1871 Y1873 D1912 V1913 | D1507-K1909 IonicContact OD2-NZ 3.97Å; D1507-K1909 PolarHBondContact OD2-NZ 3.13Å; L1870-K1909 WeakPolarHBondContact CA-O 3.27Å; Q1871-K1909 HydrophobicContact CB-CB 4.29Å; Q1871-K1909 PolarHBondContact N-O 3.08Å; Q1871-K1909 PolarHBondContact O-N 2.98Å; Y1873-K1909 HydrophobicContact CE2-CD 4.1Å; K1909-D1912 WeakPolarHBondContact CD-O 3.32Å; K1909-D1912 VanDerWaalsContact CE-O 3.26Å; K1909-D1912 WeakPolarHBondContact CE-O 3.31Å; K1909-D1912 PolarHBondContact NZ-O 2.71Å; K1909-V1913 CarbonylContact C-O 3.49Å; K1909-V1913 WeakPolarHBondContact CA-O 3.43Å |
| 1910 | F | 83.2 | Confident | 80 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 123.1 | 169.6 | 177.4 | -96.1 | 0 | 0 | 0 | 109.4 | L1747 V1840 A1865 G1866 L1869 D1912 V1913 I1915 | L1747-F1910 HydrophobicContact CD1-CD2 4.16Å; L1747-F1910 HydrophobicContact CD1-CE2 3.97Å; V1840-F1910 HydrophobicContact CG2-CB 3.91Å; V1840-F1910 HydrophobicContact CG2-CD1 4.33Å; V1840-F1910 HydrophobicContact CG2-CD2 4.04Å; V1840-F1910 HydrophobicContact CG2-CG 3.84Å; A1865-F1910 HydrophobicContact CB-CE1 4.08Å; A1865-F1910 HydrophobicContact CB-CE2 4.45Å; A1865-F1910 HydrophobicContact CB-CZ 4.03Å; G1866-F1910 WeakPolarHBondContact O-CZ 3.36Å; L1869-F1910 CarbonylContact O-C 3.58Å; L1869-F1910 WeakPolarHBondContact O-CA 3.49Å; F1910-D1912 PolarHBondContact O-N 3.47Å; F1910-V1913 PolarHBondContact N-O 3.35Å; F1910-V1913 PolarHBondContact O-N 2.75Å; F1910-I1915 HydrophobicContact CB-CG2 4.22Å |
| 1911 | N | 83.4 | Confident | 80 | Confident | 71 Ų | 71 | 42 Ų | 42 | 38% | 0.38 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 46.6 | -169.1 | -64 | -26.6 | 0 | 0 | 0 | 112 | G1868 L1869 V1913 | G1868-N1911 WeakPolarHBondContact CA-OD1 3.44Å; L1869-N1911 PolarHBondContact N-OD1 2.93Å; L1869-N1911 PolarHBondContact O-N 3.27Å; N1911-V1913 PolarHBondContact O-N 2.84Å |
| 1912 | D | 78.9 | Confident | 80.4 | Confident | 32 Ų | 32 | 39.1 Ų | 39.1 | 17% | 0.171 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | -5.8 | -179.8 | -41.7 | -41.5 | 0 | 0 | 0 | 116.4 | D1507 Q1871 K1909 F1910 | D1507-D1912 HydrophobicContact CB-CB 4.25Å; Q1871-D1912 PolarHBondContact NE2-OD1 3.47Å; K1909-D1912 WeakPolarHBondContact CD-O 3.32Å; K1909-D1912 VanDerWaalsContact CE-O 3.26Å; K1909-D1912 WeakPolarHBondContact CE-O 3.31Å; K1909-D1912 PolarHBondContact NZ-O 2.71Å; F1910-D1912 PolarHBondContact O-N 3.47Å |
| 1913 | V | 77.2 | Confident | 80.8 | Confident | 76 Ų | 76 | 41.7 Ų | 41.7 | 46% | 0.461 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 138.6 | 175.7 | -173 | 0 | 0 | 0 | 0 | 109.7 | S1837 K1909 F1910 N1911 | S1837-V1913 WeakPolarHBondContact OG-CG1 3.38Å; K1909-V1913 CarbonylContact C-O 3.49Å; K1909-V1913 WeakPolarHBondContact CA-O 3.43Å; F1910-V1913 PolarHBondContact N-O 3.35Å; F1910-V1913 PolarHBondContact O-N 2.75Å; N1911-V1913 PolarHBondContact O-N 2.84Å |
| 1914 | H | 79.7 | Confident | 81.1 | Confident | 73 Ų | 73 | 37.9 Ų | 37.9 | 34% | 0.338 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 146.3 | 174 | -76.7 | -101.8 | 0 | 0 | 0 | 111.6 | S1837 S1918 | S1837-H1914 WeakPolarHBondContact CB-O 3.36Å; S1837-H1914 PolarHBondContact OG-O 2.71Å; S1837-H1914 VanDerWaalsContact OG-O 3.04Å; H1914-S1918 PolarHBondContact ND1-O 3.23Å; H1914-S1918 PolarHBondContact ND1-OG 3.21Å |
| 1915 | I | 87.9 | Confident | 80.3 | Confident | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -80.8 | 169.4 | 168.7 | 74.3 | 161.3 | 0 | 0 | 0 | 109.6 | V1840 A1842 I1908 F1910 S1918 F1920 | V1840-I1915 HydrophobicContact CB-CB 4.22Å; V1840-I1915 HydrophobicContact CB-CG2 3.67Å; V1840-I1915 HydrophobicContact CG1-CB 4.49Å; V1840-I1915 HydrophobicContact CG1-CD1 4.17Å; V1840-I1915 HydrophobicContact CG1-CG2 3.86Å; V1840-I1915 HydrophobicContact CG2-CG2 4.36Å; A1842-I1915 HydrophobicContact CB-CD1 3.69Å; I1908-I1915 HydrophobicContact CB-CD1 3.84Å; I1908-I1915 HydrophobicContact CB-CG1 3.91Å; I1908-I1915 HydrophobicContact CD1-CD1 4.19Å; I1908-I1915 HydrophobicContact CG2-CD1 3.6Å; I1908-I1915 HydrophobicContact CG2-CG1 3.95Å; I1908-I1915 HydrophobicContact CG2-CG2 4.11Å; I1908-I1915 PolarHBondContact O-N 3.09Å; F1910-I1915 HydrophobicContact CB-CG2 4.22Å; I1915-S1918 VanDerWaalsContact O-CB 3.27Å; I1915-S1918 WeakPolarHBondContact O-CB 3.36Å; I1915-S1918 PolarHBondContact O-N 3.21Å; I1915-F1920 HydrophobicContact CD1-CE2 4.39Å |
| 1916 | P | 81.7 | Confident | 79.5 | Confident | 22 Ų | 22 | 37.8 Ų | 37.8 | 14% | 0.143 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 144.7 | 174.2 | -22.8 | 36 | 0 | 0 | 0 | 111.9 | V1840 S1918 P2110 | V1840-P1916 VanDerWaalsContact O-CD 3.28Å; V1840-P1916 WeakPolarHBondContact O-CD 3.3Å; P1916-S1918 PolarHBondContact O-N 3.34Å; P1916-P2110 HydrophobicContact CB-CG 4.21Å; P1916-P2110 HydrophobicContact CG-CG 3.59Å |
| 1917 | D | 82 | Confident | 78.1 | Confident | 91 Ų | 91 | 41.3 Ų | 41.3 | 49% | 0.487 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | -1 | -173.8 | -60.4 | -26.4 | 0 | 0 | 0 | 116.9 | P1919 F1920 K2100 H2105 | D1917-P1919 CarbonylContact O-C 3.51Å; D1917-F1920 HydrophobicContact CB-CD1 4.39Å; D1917-F1920 HydrophobicContact CB-CE1 3.53Å; D1917-F1920 HydrophobicContact CB-CZ 3.75Å; D1917-K2100 IonicContact OD1-NZ 2.73Å; D1917-K2100 PolarHBondContact OD1-NZ 3.28Å; D1917-K2100 IonicContact OD2-NZ 3.6Å; D1917-K2100 PolarHBondContact OD2-NZ 2.91Å; D1917-H2105 IonicContact OD2-NE2 2.73Å |
| 1918 | S | 81 | Confident | 76.8 | Confident | 17 Ų | 17 | 41.3 Ų | 41.3 | 12% | 0.119 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -85.8 | 140.7 | 176.3 | 177.4 | 0 | 0 | 0 | 0 | 112.1 | I1908 H1914 I1915 P1916 | I1908-S1918 PolarHBondContact N-OG 3.06Å; I1908-S1918 WeakPolarHBondContact O-CB 3.32Å; I1908-S1918 PolarHBondContact O-OG 3.09Å; H1914-S1918 PolarHBondContact ND1-O 3.23Å; H1914-S1918 PolarHBondContact ND1-OG 3.21Å; I1915-S1918 VanDerWaalsContact O-CB 3.27Å; I1915-S1918 WeakPolarHBondContact O-CB 3.36Å; I1915-S1918 PolarHBondContact O-N 3.21Å; P1916-S1918 PolarHBondContact O-N 3.34Å |
| 1919 | P | 79 | Confident | 75.5 | Confident | 70 Ų | 70 | 43.1 Ų | 43.1 | 46% | 0.455 | 24% | 0.244 | S | C | . | . | S | Bend | cis | -80 | 137.6 | 1.3 | 32.6 | -34.1 | 0 | 0 | 0 | 112.9 | I1906 A1907 D1917 | I1906-P1919 WeakPolarHBondContact O-CA 3.44Å; A1907-P1919 HydrophobicContact CB-CB 4.02Å; D1917-P1919 CarbonylContact O-C 3.51Å |
| 1920 | F | 79.2 | Confident | 74.7 | Confident | 28 Ų | 28 | 44.9 Ų | 44.9 | 12% | 0.123 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 135.6 | 176.2 | -59.7 | -93.1 | 0 | 0 | 0 | 109.7 | A1842 L1847 N1905 I1906 I1908 I1915 D1917 | A1842-F1920 HydrophobicContact CB-CE2 4.44Å; A1842-F1920 HydrophobicContact CB-CZ 4.39Å; L1847-F1920 HydrophobicContact CB-CD1 4.12Å; L1847-F1920 HydrophobicContact CB-CG 4.28Å; L1847-F1920 HydrophobicContact CD1-CD1 4.28Å; L1847-F1920 HydrophobicContact CD1-CD2 4.25Å; L1847-F1920 HydrophobicContact CD1-CE1 4.2Å; L1847-F1920 HydrophobicContact CD1-CE2 4.18Å; L1847-F1920 HydrophobicContact CD1-CG 4.32Å; L1847-F1920 HydrophobicContact CD1-CZ 4.16Å; L1847-F1920 HydrophobicContact CD2-CB 4.07Å; L1847-F1920 HydrophobicContact CD2-CD2 3.97Å; L1847-F1920 HydrophobicContact CD2-CG 3.94Å; L1847-F1920 HydrophobicContact CG-CG 4.4Å; N1905-F1920 WeakPolarHBondContact CA-O 3.42Å; I1906-F1920 HydrophobicContact CB-CB 4.43Å; I1906-F1920 PolarHBondContact N-O 3.32Å; I1906-F1920 PolarHBondContact O-N 3.1Å; I1908-F1920 HydrophobicContact CD1-CD2 4.14Å; I1908-F1920 HydrophobicContact CD1-CE2 3.85Å; I1908-F1920 HydrophobicContact CG1-CD2 4.46Å; I1908-F1920 HydrophobicContact CG1-CE2 4.39Å; I1915-F1920 HydrophobicContact CD1-CE2 4.39Å; D1917-F1920 HydrophobicContact CB-CD1 4.39Å; D1917-F1920 HydrophobicContact CB-CE1 3.53Å; D1917-F1920 HydrophobicContact CB-CZ 3.75Å |
| 1921 | K | 71.6 | Confident | 74.2 | Confident | 133 Ų | 133 | 45 Ų | 45 | 58% | 0.578 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 126.4 | 166.3 | -85.5 | -170.3 | 154.2 | -127.8 | 0 | 109.3 | D1903 | D1903-K1921 IonicContact OD2-NZ 3.83Å; D1903-K1921 PolarHBondContact OD2-NZ 3.03Å |
| 1922 | V | 75.6 | Confident | 73.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 118.3 | 178.5 | -170.7 | 0 | 0 | 0 | 0 | 108.8 | Y1904 I1906 V1924 | Y1904-V1922 PolarHBondContact N-O 2.88Å; Y1904-V1922 PolarHBondContact O-N 3.03Å; I1906-V1922 HydrophobicContact CD1-CB 4.41Å; I1906-V1922 HydrophobicContact CD1-CG2 3.78Å; I1906-V1922 HydrophobicContact CG1-CG2 4.11Å; V1922-V1924 HydrophobicContact CG1-CG2 4.44Å |
| 1923 | F | 73 | Confident | 73.5 | Confident | 71 Ų | 71 | 51.6 Ų | 51.6 | 31% | 0.311 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 130.4 | 169.2 | -176.1 | -86.5 | 0 | 0 | 0 | 109.5 | S1849 G1850 H2011 | S1849-F1923 WeakPolarHBondContact CA-O 3.3Å; G1850-F1923 PolarHBondContact N-O 3.5Å; G1850-F1923 VanDerWaalsContact N-O 3.13Å; F1923-H2011 AromaticContact CD1-CD2 3.79Å; F1923-H2011 AromaticContact CE1-CD2 3.52Å |
| 1924 | V | 75.3 | Confident | 73.7 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 120.4 | 173.7 | -179 | 0 | 0 | 0 | 0 | 109.9 | G1850 V1852 L1856 V1898 P1901 G1902 Y1904 V1922 | G1850-V1924 CarbonylContact O-C 3.47Å; G1850-V1924 WeakPolarHBondContact O-CA 3.31Å; V1852-V1924 HydrophobicContact CG1-CG1 3.99Å; L1856-V1924 HydrophobicContact CD1-CG2 4.15Å; V1898-V1924 HydrophobicContact CG2-CB 4.29Å; V1898-V1924 HydrophobicContact CG2-CG1 3.77Å; V1898-V1924 HydrophobicContact CG2-CG2 4.07Å; P1901-V1924 CarbonylContact C-O 3.57Å; P1901-V1924 WeakPolarHBondContact CA-O 3.13Å; P1901-V1924 VanDerWaalsContact CB-O 3.27Å; P1901-V1924 WeakPolarHBondContact CB-O 3.38Å; G1902-V1924 PolarHBondContact N-O 3.07Å; G1902-V1924 PolarHBondContact O-N 3.48Å; Y1904-V1924 HydrophobicContact CD2-CB 3.94Å; Y1904-V1924 HydrophobicContact CD2-CG2 3.61Å; Y1904-V1924 HydrophobicContact CE2-CB 3.98Å; Y1904-V1924 HydrophobicContact CE2-CG2 4.06Å; Y1904-V1924 HydrophobicContact CG-CG2 4.48Å; V1922-V1924 HydrophobicContact CG1-CG2 4.44Å |
| 1925 | S | 63 | Low | 73.8 | Confident | 14 Ų | 14 | 49.7 Ų | 49.7 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 156.5 | 178 | 61.6 | 0 | 0 | 0 | 0 | 112.7 | G1850 E1851 V1852 | G1850-S1925 PolarHBondContact O-N 2.84Å; G1850-S1925 PolarHBondContact O-OG 2.63Å; G1850-S1925 VanDerWaalsContact O-OG 3.13Å; E1851-S1925 WeakPolarHBondContact CA-OG 3.23Å; V1852-S1925 WeakPolarHBondContact CG1-O 3.48Å; V1852-S1925 PolarHBondContact N-O 2.87Å |
| 1926 | S | 62.1 | Low | 73.4 | Confident | 33 Ų | 33 | 50.9 Ų | 50.9 | 23% | 0.231 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 161.8 | 164.9 | 48 | 0 | 0 | 0 | 0 | 110.2 | T1928 I2010 | S1926-T1928 PolarHBondContact O-N 2.83Å; S1926-T1928 VanDerWaalsContact O-N 3.15Å; S1926-I2010 WeakPolarHBondContact OG-CG2 3.38Å |
| 1927 | S | 59.2 | Low | 72.7 | Confident | 75 Ų | 75 | 51.7 Ų | 51.7 | 52% | 0.524 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 123.5 | 174.5 | 41.7 | 0 | 0 | 0 | 0 | 109.5 | E1851 V1852 G1929 | E1851-S1927 WeakPolarHBondContact OE1-CA 3.21Å; V1852-S1927 VanDerWaalsContact CG2-N 3.29Å; S1927-G1929 PolarHBondContact O-N 2.92Å |
| 1928 | T | 59.3 | Low | 71.9 | Confident | 18 Ų | 18 | 51.3 Ų | 51.3 | 11% | 0.11 | 28% | 0.277 | C | S | . | . | trans | -60.9 | -8.7 | -155.3 | 36.2 | 0 | 0 | 0 | 0 | 116.6 | E1851 S1926 E1930 A1931 R1932 | E1851-T1928 WeakPolarHBondContact OE1-CB 3.47Å; E1851-T1928 WeakPolarHBondContact OE1-CG2 3.48Å; E1851-T1928 PolarHBondContact OE1-N 2.85Å; E1851-T1928 PolarHBondContact OE1-OG1 3.03Å; S1926-T1928 PolarHBondContact O-N 2.83Å; S1926-T1928 VanDerWaalsContact O-N 3.15Å; T1928-E1930 PolarHBondContact O-N 2.87Å; T1928-A1931 CarbonylContact O-C 3.55Å; T1928-A1931 VanDerWaalsContact O-CA 3.27Å; T1928-A1931 WeakPolarHBondContact O-CA 3.49Å; T1928-A1931 WeakPolarHBondContact O-CB 3.23Å; T1928-A1931 PolarHBondContact O-N 2.84Å; T1928-R1932 PolarHBondContact O-N 2.63Å; T1928-R1932 WeakPolarHBondContact OG1-CB 3.21Å | ||
| 1929 | G | 65.4 | Low | 70.9 | Confident | 39 Ų | 39 | 54.1 Ų | 54.1 | 40% | 0.402 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | -124.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S1927 R1932 | S1927-G1929 PolarHBondContact O-N 2.92Å; G1929-R1932 WeakPolarHBondContact O-CD 3.06Å; G1929-R1932 WeakPolarHBondContact O-CG 3.27Å; G1929-R1932 PolarHBondContact O-NE 3.23Å |
| 1930 | E | 71.1 | Confident | 70.3 | Confident | 72 Ų | 72 | 52.5 Ų | 52.5 | 34% | 0.336 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -32.4 | 170.3 | -78.1 | -70.4 | 102.8 | 0 | 0 | 112.4 | T1928 R1932 K1933 A1960 Q1961 L2007 | T1928-E1930 PolarHBondContact O-N 2.87Å; E1930-R1932 PolarHBondContact O-N 2.85Å; E1930-K1933 WeakPolarHBondContact O-CB 3.36Å; E1930-K1933 PolarHBondContact O-N 2.96Å; E1930-K1933 WeakPolarHBondContact OE1-CE 3.29Å; E1930-K1933 IonicContact OE1-NZ 4Å; E1930-K1933 PolarHBondContact OE1-NZ 2.69Å; E1930-K1933 IonicContact OE2-NZ 2.72Å; E1930-K1933 PolarHBondContact OE2-NZ 3.2Å; E1930-A1960 WeakPolarHBondContact OE2-CA 3.49Å; E1930-Q1961 PolarHBondContact OE2-N 2.91Å; E1930-L2007 HydrophobicContact CB-CD2 3.9Å |
| 1931 | A | 71.9 | Confident | 69.4 | Low | 3 Ų | 3 | 55.5 Ų | 55.5 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -61.7 | -14.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T1928 K1933 L1934 L2007 I2010 M2012 | T1928-A1931 CarbonylContact O-C 3.55Å; T1928-A1931 VanDerWaalsContact O-CA 3.27Å; T1928-A1931 WeakPolarHBondContact O-CA 3.49Å; T1928-A1931 WeakPolarHBondContact O-CB 3.23Å; T1928-A1931 PolarHBondContact O-N 2.84Å; A1931-K1933 VanDerWaalsContact C-N 3.28Å; A1931-K1933 PolarHBondContact O-N 3.47Å; A1931-L1934 HydrophobicContact CB-CD1 4.4Å; A1931-L1934 WeakPolarHBondContact O-CB 3.29Å; A1931-L1934 PolarHBondContact O-N 3.07Å; A1931-L2007 HydrophobicContact CB-CB 3.78Å; A1931-L2007 HydrophobicContact CB-CD2 4.29Å; A1931-I2010 HydrophobicContact CB-CG2 4.25Å; A1931-M2012 HydrophobicContact CB-CB 4.45Å |
| 1932 | R | 72.3 | Confident | 68.8 | Low | 175 Ų | 175 | 51.2 Ų | 51.2 | 66% | 0.66 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -70.4 | -20.9 | 171.8 | 90.8 | -167.2 | 166 | 141.4 | 2.6 | 113.7 | T1928 G1929 E1930 L1934 | T1928-R1932 PolarHBondContact O-N 2.63Å; T1928-R1932 WeakPolarHBondContact OG1-CB 3.21Å; G1929-R1932 WeakPolarHBondContact O-CD 3.06Å; G1929-R1932 WeakPolarHBondContact O-CG 3.27Å; G1929-R1932 PolarHBondContact O-NE 3.23Å; E1930-R1932 PolarHBondContact O-N 2.85Å; R1932-L1934 VanDerWaalsContact C-N 3.33Å |
| 1933 | K | 76.2 | Confident | 68 | Low | 67 Ų | 67 | 56.2 Ų | 56.2 | 29% | 0.291 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -79 | -20.7 | 175.6 | -66.2 | 169.7 | 167.8 | 173.6 | 0 | 111.6 | E1930 A1931 E1935 T1957 H1958 G1959 A1960 | E1930-K1933 WeakPolarHBondContact O-CB 3.36Å; E1930-K1933 PolarHBondContact O-N 2.96Å; E1930-K1933 WeakPolarHBondContact OE1-CE 3.29Å; E1930-K1933 IonicContact OE1-NZ 4Å; E1930-K1933 PolarHBondContact OE1-NZ 2.69Å; E1930-K1933 IonicContact OE2-NZ 2.72Å; E1930-K1933 PolarHBondContact OE2-NZ 3.2Å; A1931-K1933 VanDerWaalsContact C-N 3.28Å; A1931-K1933 PolarHBondContact O-N 3.47Å; K1933-E1935 PolarHBondContact O-N 2.93Å; K1933-T1957 CarbonylContact C-O 3.47Å; K1933-T1957 VanDerWaalsContact CB-O 3.28Å; K1933-T1957 WeakPolarHBondContact CB-O 3.37Å; K1933-T1957 CarbonylContact O-C 3.54Å; K1933-H1958 HydrophobicContact CB-CB 4.47Å; K1933-H1958 PolarHBondContact O-CD2 2.92Å; K1933-H1958 VanDerWaalsContact O-CD2 3.3Å; K1933-G1959 PolarHBondContact NZ-O 3.4Å; K1933-A1960 HydrophobicContact CB-CB 3.97Å; K1933-A1960 HydrophobicContact CD-CB 4.03Å |
| 1934 | L | 81.4 | Confident | 67.4 | Low | 7 Ų | 7 | 53.3 Ų | 53.3 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | trans | -65.4 | 125.1 | 176.2 | -58.6 | -177.9 | 0 | 0 | 0 | 110 | A1931 R1932 V1955 V1956 T1957 A1960 L1964 L2007 M2012 | A1931-L1934 HydrophobicContact CB-CD1 4.4Å; A1931-L1934 WeakPolarHBondContact O-CB 3.29Å; A1931-L1934 PolarHBondContact O-N 3.07Å; R1932-L1934 VanDerWaalsContact C-N 3.33Å; L1934-V1955 HydrophobicContact CB-CG1 3.94Å; L1934-V1955 HydrophobicContact CD2-CG1 4.17Å; L1934-V1955 HydrophobicContact CG-CG1 4.43Å; L1934-V1956 CarbonylContact C-O 3.35Å; L1934-V1956 WeakPolarHBondContact CA-O 3.15Å; L1934-T1957 HydrophobicContact CD2-CG2 4.05Å; L1934-A1960 HydrophobicContact CD2-CB 3.76Å; L1934-A1960 HydrophobicContact CG-CB 4.43Å; L1934-L1964 HydrophobicContact CD1-CD1 3.71Å; L1934-L2007 HydrophobicContact CD1-CB 3.97Å; L1934-L2007 HydrophobicContact CD1-CD1 4.29Å; L1934-L2007 HydrophobicContact CD1-CD2 4.45Å; L1934-L2007 HydrophobicContact CD1-CG 4.48Å; L1934-M2012 HydrophobicContact CB-CB 4.06Å; L1934-M2012 HydrophobicContact CB-CE 3.63Å; L1934-M2012 HydrophobicContact CB-SD 4.15Å; L1934-M2012 HydrophobicContact CD1-CB 3.79Å; L1934-M2012 HydrophobicContact CD1-SD 4.35Å; L1934-M2012 HydrophobicContact CG-CB 4.49Å; L1934-M2012 VanDerWaalsContact O-CE 3.31Å; L1934-M2012 WeakPolarHBondContact O-CE 3.43Å | ||
| 1935 | E | 81.3 | Confident | 67.2 | Low | 102 Ų | 102 | 54.1 Ų | 54.1 | 48% | 0.477 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 134 | 176.5 | -176.7 | 178.5 | -177.4 | 0 | 0 | 110.1 | K1933 C1937 V1955 V1956 H1958 | K1933-E1935 PolarHBondContact O-N 2.93Å; E1935-C1937 PolarHBondContact O-N 2.87Å; E1935-V1955 CarbonylContact O-C 3.59Å; E1935-V1955 WeakPolarHBondContact O-CA 3.29Å; E1935-V1956 PolarHBondContact N-O 3.07Å; E1935-V1956 PolarHBondContact O-N 3.18Å; E1935-H1958 IonicContact OE2-CD2 2.74Å; E1935-H1958 IonicContact OE2-CE1 2.72Å; E1935-H1958 IonicContact OE2-NE2 3.53Å; E1935-H1958 PolarHBondContact OE2-NE2 3.49Å |
| 1936 | V | 80.3 | Confident | 67.6 | Low | 31 Ų | 31 | 56.7 Ų | 56.7 | 19% | 0.188 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 93.2 | 177.5 | -165 | 0 | 0 | 0 | 0 | 110.9 | F1939 F1953 T1954 V1955 M2012 F2017 | V1936-F1939 HydrophobicContact CG1-CB 4.22Å; V1936-F1939 HydrophobicContact CG1-CD2 3.58Å; V1936-F1939 HydrophobicContact CG1-CE2 4.35Å; V1936-F1939 HydrophobicContact CG1-CG 4.32Å; V1936-F1953 HydrophobicContact CG1-CD2 3.57Å; V1936-F1953 HydrophobicContact CG1-CE2 4.04Å; V1936-F1953 HydrophobicContact CG1-CG 4.49Å; V1936-T1954 CarbonylContact C-O 3.58Å; V1936-T1954 WeakPolarHBondContact CA-O 3.43Å; V1936-T1954 WeakPolarHBondContact CG1-O 3.31Å; V1936-V1955 HydrophobicContact CG2-CG2 4.39Å; V1936-M2012 HydrophobicContact CG2-CE 3.38Å; V1936-M2012 HydrophobicContact CG2-SD 4.01Å; V1936-F2017 HydrophobicContact CB-CE1 4.49Å; V1936-F2017 HydrophobicContact CG2-CD1 4.5Å; V1936-F2017 HydrophobicContact CG2-CE1 3.63Å; V1936-F2017 HydrophobicContact CG2-CE2 4.08Å; V1936-F2017 HydrophobicContact CG2-CZ 3.39Å |
| 1937 | C | 67.5 | Low | 68 | Low | 39 Ų | 39 | 57.1 Ų | 57.1 | 26% | 0.264 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 154.7 | 175.8 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | E1935 F1939 T1954 V1956 | E1935-C1937 PolarHBondContact O-N 2.87Å; C1937-F1939 PolarHBondContact O-N 2.95Å; C1937-F1939 VanDerWaalsContact O-N 3.16Å; C1937-T1954 PolarHBondContact N-O 2.83Å; C1937-T1954 CarbonylContact O-C 3.49Å; C1937-T1954 WeakPolarHBondContact O-CA 3.39Å; C1937-T1954 WeakPolarHBondContact O-CB 3.42Å; C1937-T1954 PolarHBondContact O-N 2.79Å; C1937-T1954 VanDerWaalsContact O-N 3.11Å; C1937-V1956 HydrophobicContact CB-CG2 3.97Å; C1937-V1956 WeakPolarHBondContact SG-CG2 3.41Å |
| 1938 | S | 64.4 | Low | 68.9 | Low | 84 Ų | 84 | 58.8 Ų | 58.8 | 59% | 0.587 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 32.4 | -179.4 | 63.9 | 0 | 0 | 0 | 0 | 114.6 | P1940 T1954 | S1938-P1940 WeakPolarHBondContact O-CD 3.28Å; S1938-T1954 VanDerWaalsContact OG-CB 3.29Å; S1938-T1954 WeakPolarHBondContact OG-CB 3.08Å; S1938-T1954 PolarHBondContact OG-OG1 3.09Å |
| 1939 | F | 60.8 | Low | 69.9 | Low | 75 Ų | 75 | 64.2 Ų | 64.2 | 33% | 0.329 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 119.4 | 176.3 | -165.8 | -110.8 | 0 | 0 | 0 | 109.9 | V1936 C1937 F1953 F2017 F2019 | V1936-F1939 HydrophobicContact CG1-CB 4.22Å; V1936-F1939 HydrophobicContact CG1-CD2 3.58Å; V1936-F1939 HydrophobicContact CG1-CE2 4.35Å; V1936-F1939 HydrophobicContact CG1-CG 4.32Å; C1937-F1939 PolarHBondContact O-N 2.95Å; C1937-F1939 VanDerWaalsContact O-N 3.16Å; F1939-F1953 HydrophobicContact CD2-CG 4.5Å; F1939-F2017 HydrophobicContact CE2-CB 4.09Å; F1939-F2017 AromaticContact CE2-CD1 3.81Å; F1939-F2017 HydrophobicContact CE2-CD1 3.81Å; F1939-F2017 HydrophobicContact CE2-CG 4.19Å; F1939-F2017 HydrophobicContact CZ-CB 4.22Å; F1939-F2017 HydrophobicContact CZ-CD1 4.07Å; F1939-F2019 HydrophobicContact CD2-CE1 4.13Å; F1939-F2019 AromaticContact CD2-CZ 3.99Å; F1939-F2019 HydrophobicContact CD2-CZ 3.99Å; F1939-F2019 HydrophobicContact CE1-CE1 4.37Å; F1939-F2019 AromaticContact CE2-CE1 3.49Å; F1939-F2019 HydrophobicContact CE2-CE1 3.49Å; F1939-F2019 VanDerWaalsContact CE2-CE1 3.49Å; F1939-F2019 HydrophobicContact CE2-CE2 4.09Å; F1939-F2019 AromaticContact CE2-CZ 3.22Å; F1939-F2019 HydrophobicContact CE2-CZ 3.22Å; F1939-F2019 HydrophobicContact CZ-CD1 4.31Å; F1939-F2019 AromaticContact CZ-CE1 3.62Å; F1939-F2019 HydrophobicContact CZ-CE1 3.62Å; F1939-F2019 HydrophobicContact CZ-CE2 4.43Å; F1939-F2019 AromaticContact CZ-CZ 3.72Å; F1939-F2019 HydrophobicContact CZ-CZ 3.72Å |
| 1940 | P | 64.7 | Low | 70.6 | Confident | 36 Ų | 36 | 66.2 Ų | 66.2 | 23% | 0.234 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -68 | 160 | 177.9 | 29.8 | -35.3 | 0 | 0 | 0 | 109.9 | S1938 S1942 L1945 V1951 F1953 F2019 | S1938-P1940 WeakPolarHBondContact O-CD 3.28Å; P1940-S1942 PolarHBondContact O-N 2.76Å; P1940-L1945 HydrophobicContact CB-CD2 4.45Å; P1940-V1951 HydrophobicContact CG-CG1 4Å; P1940-F1953 HydrophobicContact CG-CB 4.45Å; P1940-F2019 HydrophobicContact CG-CE1 4.1Å |
| 1941 | E | 60.8 | Low | 71.2 | Confident | 92 Ų | 92 | 63.2 Ų | 63.2 | 43% | 0.43 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -51.2 | 119 | 170.5 | -68.8 | -176.2 | 139.4 | 0 | 0 | 109.7 | Y1943 L1945 K2024 | E1941-Y1943 HydrophobicContact CB-CD2 4.31Å; E1941-Y1943 HydrophobicContact CB-CE1 4.22Å; E1941-Y1943 HydrophobicContact CB-CE2 3.92Å; E1941-Y1943 HydrophobicContact CG-CE2 4.16Å; E1941-Y1943 PolarHBondContact O-N 2.79Å; E1941-Y1943 PolarHBondContact OE1-OH 2.84Å; E1941-Y1943 VanDerWaalsContact OE1-OH 3.04Å; E1941-L1945 WeakPolarHBondContact O-CD2 3.09Å; E1941-K2024 WeakPolarHBondContact OE2-CE 3.22Å; E1941-K2024 IonicContact OE2-NZ 2.91Å; E1941-K2024 PolarHBondContact OE2-NZ 2.8Å |
| 1942 | S | 58.4 | Low | 71.9 | Confident | 43 Ų | 43 | 65.4 Ų | 65.4 | 30% | 0.301 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -72.2 | 16.3 | -175 | 52.5 | 0 | 0 | 0 | 0 | 113.7 | P1940 R2018 R2020 | P1940-S1942 PolarHBondContact O-N 2.76Å; S1942-R2018 WeakPolarHBondContact CB-O 3.04Å; S1942-R2020 WeakPolarHBondContact O-CB 3.19Å; S1942-R2020 PolarHBondContact O-N 3.01Å |
| 1943 | Y | 60.1 | Low | 72.6 | Confident | 104 Ų | 104 | 57.1 Ų | 57.1 | 41% | 0.408 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 140.5 | -174.7 | 48.8 | -96.7 | 0 | 0 | 0 | 111.5 | E1941 | E1941-Y1943 HydrophobicContact CB-CD2 4.31Å; E1941-Y1943 HydrophobicContact CB-CE1 4.22Å; E1941-Y1943 HydrophobicContact CB-CE2 3.92Å; E1941-Y1943 HydrophobicContact CG-CE2 4.16Å; E1941-Y1943 PolarHBondContact O-N 2.79Å; E1941-Y1943 PolarHBondContact OE1-OH 2.84Å; E1941-Y1943 VanDerWaalsContact OE1-OH 3.04Å |
| 1944 | G | 59.9 | Low | 73.2 | Confident | 10 Ų | 10 | 55 Ų | 55 | 10% | 0.103 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 68.6 | 36 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R2020 G2022 P2023 K2024 | G1944-R2020 PolarHBondContact N-O 2.95Å; G1944-G2022 CarbonylContact C-O 3.59Å; G1944-G2022 WeakPolarHBondContact CA-O 3.25Å; G1944-P2023 WeakPolarHBondContact CA-O 3.07Å; G1944-K2024 WeakPolarHBondContact O-CE 3.42Å |
| 1945 | L | 71.6 | Confident | 73.6 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 9% | 0.089 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 130.6 | 174.4 | -63.5 | 162 | 0 | 0 | 0 | 109.3 | P1940 E1941 V1947 V1951 F2019 R2020 A2021 G2022 | P1940-L1945 HydrophobicContact CB-CD2 4.45Å; E1941-L1945 WeakPolarHBondContact O-CD2 3.09Å; L1945-V1947 PolarHBondContact O-N 2.91Å; L1945-V1951 HydrophobicContact CB-CG2 4.08Å; L1945-V1951 HydrophobicContact CD1-CG1 4.25Å; L1945-V1951 HydrophobicContact CD1-CG2 4.13Å; L1945-V1951 HydrophobicContact CD2-CG1 4.18Å; L1945-V1951 HydrophobicContact CD2-CG2 4.11Å; L1945-V1951 HydrophobicContact CG-CG2 4.33Å; L1945-F2019 HydrophobicContact CD1-CB 3.78Å; L1945-F2019 HydrophobicContact CD1-CD1 3.73Å; L1945-F2019 HydrophobicContact CD1-CG 4.21Å; L1945-R2020 PolarHBondContact N-O 2.99Å; L1945-A2021 HydrophobicContact CB-CB 4.49Å; L1945-A2021 CarbonylContact O-C 3.55Å; L1945-A2021 WeakPolarHBondContact O-CA 3.44Å; L1945-G2022 PolarHBondContact O-N 3.1Å |
| 1946 | P | 70.2 | Confident | 73.9 | Confident | 68 Ų | 68 | 51.3 Ų | 51.3 | 44% | 0.442 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 124 | -178.6 | 23.1 | -31.1 | 0 | 0 | 0 | 111.9 | K1949 | P1946-K1949 HydrophobicContact CB-CB 4.17Å; P1946-K1949 HydrophobicContact CB-CD 3.96Å; P1946-K1949 HydrophobicContact CB-CG 4.21Å; P1946-K1949 HydrophobicContact CG-CB 3.95Å; P1946-K1949 HydrophobicContact CG-CD 3.98Å; P1946-K1949 HydrophobicContact CG-CG 4.36Å; P1946-K1949 PolarHBondContact O-N 2.79Å |
| 1947 | V | 72.3 | Confident | 74 | Confident | 42 Ų | 42 | 50.1 Ų | 50.1 | 26% | 0.255 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 145.5 | 173.5 | -173.2 | 0 | 0 | 0 | 0 | 110 | L1945 K1949 P1995 V1998 A2021 | L1945-V1947 PolarHBondContact O-N 2.91Å; V1947-K1949 PolarHBondContact O-N 2.97Å; V1947-P1995 WeakPolarHBondContact CG1-O 3.44Å; V1947-V1998 HydrophobicContact CG2-CG2 3.78Å; V1947-A2021 HydrophobicContact CG2-CB 4.04Å |
| 1948 | N | 77.1 | Confident | 74.6 | Confident | 111 Ų | 111 | 53.7 Ų | 53.7 | 59% | 0.594 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 20.1 | -176.9 | -63.1 | -42.4 | 0 | 0 | 0 | 115 | P1995 | N1948-P1995 PolarHBondContact N-O 2.83Š|
| 1949 | K | 79.8 | Confident | 75.1 | Confident | 131 Ų | 131 | 51.8 Ų | 51.8 | 57% | 0.57 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -119 | 146 | 167.7 | -67.7 | -166.1 | 178.7 | -174.5 | 0 | 110.7 | P1946 V1947 V1951 P1995 | P1946-K1949 HydrophobicContact CB-CB 4.17Å; P1946-K1949 HydrophobicContact CB-CD 3.96Å; P1946-K1949 HydrophobicContact CB-CG 4.21Å; P1946-K1949 HydrophobicContact CG-CB 3.95Å; P1946-K1949 HydrophobicContact CG-CD 3.98Å; P1946-K1949 HydrophobicContact CG-CG 4.36Å; P1946-K1949 PolarHBondContact O-N 2.79Å; V1947-K1949 PolarHBondContact O-N 2.97Å; K1949-V1951 PolarHBondContact O-N 2.79Å; K1949-P1995 WeakPolarHBondContact O-CD 3.46Å |
| 1950 | P | 80.8 | Confident | 75.7 | Confident | 82 Ų | 82 | 48.8 Ų | 48.8 | 53% | 0.532 | 27% | 0.274 | S | S | . | . | trans | -65.7 | 125.5 | 179.3 | 26.3 | -33.8 | 0 | 0 | 0 | 111.4 | R1992 F1993 I1994 | P1950-R1992 HydrophobicContact CB-CG 4.03Å; P1950-F1993 WeakPolarHBondContact CA-O 3.38Å; P1950-I1994 HydrophobicContact CB-CG1 4.18Å | ||
| 1951 | V | 83.1 | Confident | 76 | Confident | 8 Ų | 8 | 54.7 Ų | 54.7 | 5% | 0.048 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 138.9 | 164 | -178.6 | 0 | 0 | 0 | 0 | 106.9 | P1940 L1945 K1949 R1992 F1993 P1995 F2019 | P1940-V1951 HydrophobicContact CG-CG1 4Å; L1945-V1951 HydrophobicContact CB-CG2 4.08Å; L1945-V1951 HydrophobicContact CD1-CG1 4.25Å; L1945-V1951 HydrophobicContact CD1-CG2 4.13Å; L1945-V1951 HydrophobicContact CD2-CG1 4.18Å; L1945-V1951 HydrophobicContact CD2-CG2 4.11Å; L1945-V1951 HydrophobicContact CG-CG2 4.33Å; K1949-V1951 PolarHBondContact O-N 2.79Å; V1951-R1992 VanDerWaalsContact O-CA 3.23Å; V1951-R1992 WeakPolarHBondContact O-CA 3.44Å; V1951-R1992 WeakPolarHBondContact O-CG 3.28Å; V1951-F1993 HydrophobicContact CB-CD1 4.15Å; V1951-F1993 HydrophobicContact CB-CE1 3.67Å; V1951-F1993 HydrophobicContact CB-CE2 4.4Å; V1951-F1993 HydrophobicContact CB-CZ 3.8Å; V1951-F1993 HydrophobicContact CG1-CD1 4.46Å; V1951-F1993 HydrophobicContact CG1-CE1 3.65Å; V1951-F1993 HydrophobicContact CG1-CZ 3.93Å; V1951-F1993 HydrophobicContact CG2-CE1 4.41Å; V1951-F1993 HydrophobicContact CG2-CE2 4.37Å; V1951-F1993 HydrophobicContact CG2-CZ 4.03Å; V1951-F1993 PolarHBondContact N-O 2.8Å; V1951-F1993 PolarHBondContact O-N 3.03Å; V1951-F1993 VanDerWaalsContact O-N 3.11Å; V1951-P1995 HydrophobicContact CG2-CG 3.94Å; V1951-F2019 HydrophobicContact CG1-CD1 4.42Å; V1951-F2019 HydrophobicContact CG1-CE1 4.37Å |
| 1952 | T | 87.5 | Confident | 76.6 | Confident | 49 Ų | 49 | 52.5 Ų | 52.5 | 30% | 0.301 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 141.2 | 177.6 | -55.3 | 0 | 0 | 0 | 0 | 109.7 | A1990 I1991 R1992 | T1952-A1990 HydrophobicContact CG2-CB 4.21Å; T1952-I1991 VanDerWaalsContact CA-O 3.31Å; T1952-I1991 WeakPolarHBondContact CA-O 3.45Å; T1952-R1992 HydrophobicContact CG2-CB 4.24Å; T1952-R1992 WeakPolarHBondContact OG1-CB 3.4Å; T1952-R1992 WeakPolarHBondContact OG1-CG 3.31Å; T1952-R1992 PolarHBondContact OG1-NE 3.4Å |
| 1953 | F | 86.6 | Confident | 77.6 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.009 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 170.9 | 177.1 | 62.5 | -90.3 | 0 | 0 | 0 | 109.6 | V1936 F1939 P1940 V1955 A1990 I1991 F1993 V2003 I2005 F2019 | V1936-F1953 HydrophobicContact CG1-CD2 3.57Å; V1936-F1953 HydrophobicContact CG1-CE2 4.04Å; V1936-F1953 HydrophobicContact CG1-CG 4.49Å; F1939-F1953 HydrophobicContact CD2-CG 4.5Å; P1940-F1953 HydrophobicContact CG-CB 4.45Å; F1953-V1955 HydrophobicContact CD2-CG2 4.44Å; F1953-V1955 HydrophobicContact CE2-CG2 4.09Å; F1953-A1990 CarbonylContact O-C 3.53Å; F1953-A1990 WeakPolarHBondContact O-CA 3.46Å; F1953-I1991 HydrophobicContact CD2-CB 4.34Å; F1953-I1991 HydrophobicContact CE1-CB 4.09Å; F1953-I1991 HydrophobicContact CE1-CG2 3.94Å; F1953-I1991 HydrophobicContact CE2-CB 3.83Å; F1953-I1991 HydrophobicContact CE2-CD1 4.04Å; F1953-I1991 HydrophobicContact CE2-CG1 4.37Å; F1953-I1991 HydrophobicContact CE2-CG2 4.24Å; F1953-I1991 HydrophobicContact CZ-CB 3.69Å; F1953-I1991 HydrophobicContact CZ-CD1 4.29Å; F1953-I1991 HydrophobicContact CZ-CG2 3.6Å; F1953-I1991 PolarHBondContact N-O 3.19Å; F1953-I1991 PolarHBondContact O-N 2.99Å; F1953-F1993 HydrophobicContact CE1-CD1 4.43Å; F1953-F1993 HydrophobicContact CE1-CE1 4.33Å; F1953-V2003 HydrophobicContact CE1-CG1 4.48Å; F1953-V2003 HydrophobicContact CZ-CG1 4.11Å; F1953-I2005 HydrophobicContact CE2-CD1 3.54Å; F1953-I2005 HydrophobicContact CZ-CD1 3.66Å; F1953-F2019 HydrophobicContact CD1-CE1 4.29Å; F1953-F2019 HydrophobicContact CD1-CE2 4.25Å; F1953-F2019 AromaticContact CD1-CZ 3.53Å; F1953-F2019 HydrophobicContact CD1-CZ 3.53Å; F1953-F2019 AromaticContact CE1-CE2 3.73Å; F1953-F2019 HydrophobicContact CE1-CE2 3.73Å; F1953-F2019 AromaticContact CE1-CZ 3.47Å; F1953-F2019 HydrophobicContact CE1-CZ 3.47Å; F1953-F2019 VanDerWaalsContact CE1-CZ 3.47Å; F1953-F2019 HydrophobicContact CG-CZ 4.26Å; F1953-F2019 HydrophobicContact CZ-CE2 4.26Å; F1953-F2019 HydrophobicContact CZ-CZ 4.14Å |
| 1954 | T | 88.4 | Confident | 78.8 | Confident | 22 Ų | 22 | 50.5 Ų | 50.5 | 14% | 0.135 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 142.5 | -175.8 | -51.4 | 0 | 0 | 0 | 0 | 110.9 | V1936 C1937 S1938 V1956 I1983 Y1989 | V1936-T1954 CarbonylContact C-O 3.58Å; V1936-T1954 WeakPolarHBondContact CA-O 3.43Å; V1936-T1954 WeakPolarHBondContact CG1-O 3.31Å; C1937-T1954 PolarHBondContact N-O 2.83Å; C1937-T1954 CarbonylContact O-C 3.49Å; C1937-T1954 WeakPolarHBondContact O-CA 3.39Å; C1937-T1954 WeakPolarHBondContact O-CB 3.42Å; C1937-T1954 PolarHBondContact O-N 2.79Å; C1937-T1954 VanDerWaalsContact O-N 3.11Å; S1938-T1954 VanDerWaalsContact OG-CB 3.29Å; S1938-T1954 WeakPolarHBondContact OG-CB 3.08Å; S1938-T1954 PolarHBondContact OG-OG1 3.09Å; T1954-V1956 HydrophobicContact CG2-CG2 4.41Å; T1954-I1983 HydrophobicContact CG2-CD1 3.6Å; T1954-Y1989 CarbonylContact C-O 3.56Å; T1954-Y1989 WeakPolarHBondContact CA-O 3.23Å |
| 1955 | V | 89.4 | Confident | 80 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 116.8 | 164.9 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | L1934 E1935 V1936 F1953 L1964 S1988 Y1989 I1991 I2005 M2012 | L1934-V1955 HydrophobicContact CB-CG1 3.94Å; L1934-V1955 HydrophobicContact CD2-CG1 4.17Å; L1934-V1955 HydrophobicContact CG-CG1 4.43Å; E1935-V1955 CarbonylContact O-C 3.59Å; E1935-V1955 WeakPolarHBondContact O-CA 3.29Å; V1936-V1955 HydrophobicContact CG2-CG2 4.39Å; F1953-V1955 HydrophobicContact CD2-CG2 4.44Å; F1953-V1955 HydrophobicContact CE2-CG2 4.09Å; V1955-L1964 HydrophobicContact CB-CD2 4.49Å; V1955-S1988 CarbonylContact O-C 3.29Å; V1955-S1988 WeakPolarHBondContact O-CA 3.46Å; V1955-Y1989 PolarHBondContact N-O 2.77Å; V1955-Y1989 PolarHBondContact O-N 2.83Å; V1955-I1991 HydrophobicContact CB-CD1 4.4Å; V1955-I1991 HydrophobicContact CG2-CD1 3.54Å; V1955-I1991 HydrophobicContact CG2-CG1 4.3Å; V1955-I2005 HydrophobicContact CG2-CD1 4.24Å; V1955-M2012 HydrophobicContact CG1-CE 4.35Å; V1955-M2012 HydrophobicContact CG1-SD 4.28Å; V1955-M2012 HydrophobicContact CG2-SD 4.38Å |
| 1956 | V | 87.7 | Confident | 81 | Confident | 32 Ų | 32 | 51.9 Ų | 51.9 | 19% | 0.194 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 138.4 | 169.5 | 173.6 | 0 | 0 | 0 | 0 | 107.8 | L1934 E1935 C1937 T1954 E1987 | L1934-V1956 CarbonylContact C-O 3.35Å; L1934-V1956 WeakPolarHBondContact CA-O 3.15Å; E1935-V1956 PolarHBondContact N-O 3.07Å; E1935-V1956 PolarHBondContact O-N 3.18Å; C1937-V1956 HydrophobicContact CB-CG2 3.97Å; C1937-V1956 WeakPolarHBondContact SG-CG2 3.41Å; T1954-V1956 HydrophobicContact CG2-CG2 4.41Å; V1956-E1987 CarbonylContact C-O 3.51Å; V1956-E1987 WeakPolarHBondContact CA-O 3.32Å |
| 1957 | T | 82.6 | Confident | 81.7 | Confident | 6 Ų | 6 | 52 Ų | 52 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | trans | -90 | -24.1 | -174.7 | 69.2 | 0 | 0 | 0 | 0 | 113.7 | K1933 L1934 G1959 A1960 G1986 E1987 Y1989 | K1933-T1957 CarbonylContact C-O 3.47Å; K1933-T1957 VanDerWaalsContact CB-O 3.28Å; K1933-T1957 WeakPolarHBondContact CB-O 3.37Å; K1933-T1957 CarbonylContact O-C 3.54Å; L1934-T1957 HydrophobicContact CD2-CG2 4.05Å; T1957-G1959 PolarHBondContact O-N 3.08Å; T1957-G1959 VanDerWaalsContact O-N 3.15Å; T1957-G1959 PolarHBondContact OG1-N 3.49Å; T1957-G1959 VanDerWaalsContact OG1-N 3.12Å; T1957-A1960 VanDerWaalsContact O-CB 3.3Å; T1957-A1960 WeakPolarHBondContact O-CB 3.44Å; T1957-A1960 PolarHBondContact O-N 2.88Å; T1957-G1986 PolarHBondContact OG1-O 2.62Å; T1957-E1987 PolarHBondContact N-O 2.75Å; T1957-E1987 WeakPolarHBondContact OG1-CA 3.49Å; T1957-E1987 PolarHBondContact OG1-O 3.4Å; T1957-Y1989 HydrophobicContact CG2-CD2 3.89Å; T1957-Y1989 HydrophobicContact CG2-CE2 3.73Å | ||
| 1958 | H | 79.5 | Confident | 82.5 | Confident | 114 Ų | 114 | 50.4 Ų | 50.4 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 37.6 | -166.8 | -63 | -62.5 | 0 | 0 | 0 | 113 | K1933 E1935 | K1933-H1958 HydrophobicContact CB-CB 4.47Å; K1933-H1958 PolarHBondContact O-CD2 2.92Å; K1933-H1958 VanDerWaalsContact O-CD2 3.3Å; E1935-H1958 IonicContact OE2-CD2 2.74Å; E1935-H1958 IonicContact OE2-CE1 2.72Å; E1935-H1958 IonicContact OE2-NE2 3.53Å; E1935-H1958 PolarHBondContact OE2-NE2 3.49Å |
| 1959 | G | 75.3 | Confident | 82.2 | Confident | 43 Ų | 43 | 47.6 Ų | 47.6 | 44% | 0.443 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 32.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114 | K1933 T1957 | K1933-G1959 PolarHBondContact NZ-O 3.4Å; T1957-G1959 PolarHBondContact O-N 3.08Å; T1957-G1959 VanDerWaalsContact O-N 3.15Å; T1957-G1959 PolarHBondContact OG1-N 3.49Å; T1957-G1959 VanDerWaalsContact OG1-N 3.12Å |
| 1960 | A | 73.2 | Confident | 81.8 | Confident | 12 Ų | 12 | 42.1 Ų | 42.1 | 10% | 0.099 | 24% | 0.242 | C | C | . | . | trans | -65.7 | 136.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | E1930 K1933 L1934 T1957 L2007 | E1930-A1960 WeakPolarHBondContact OE2-CA 3.49Å; K1933-A1960 HydrophobicContact CB-CB 3.97Å; K1933-A1960 HydrophobicContact CD-CB 4.03Å; L1934-A1960 HydrophobicContact CD2-CB 3.76Å; L1934-A1960 HydrophobicContact CG-CB 4.43Å; T1957-A1960 VanDerWaalsContact O-CB 3.3Å; T1957-A1960 WeakPolarHBondContact O-CB 3.44Å; T1957-A1960 PolarHBondContact O-N 2.88Å; A1960-L2007 HydrophobicContact CB-CD2 3.94Å | ||
| 1961 | Q | 71.7 | Confident | 80.8 | Confident | 161 Ų | 161 | 39.6 Ų | 39.6 | 75% | 0.752 | 23% | 0.226 | S | C | * | . | trans | -105.8 | 133.6 | 170.1 | -64.1 | -165.5 | -17.3 | 0 | 0 | 110.9 | E1930 | E1930-Q1961 PolarHBondContact OE2-N 2.91Š| ||
| 1962 | G | 73.9 | Confident | 79.3 | Confident | 46 Ų | 46 | 43.2 Ų | 43.2 | 47% | 0.474 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 145.5 | 173 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L2007 D2008 | G1962-L2007 VanDerWaalsContact C-CD1 3.45Å; G1962-L2007 WeakPolarHBondContact O-CD1 3.28Å; G1962-D2008 WeakPolarHBondContact CA-OD2 3.28Å |
| 1963 | H | 78.5 | Confident | 77.5 | Confident | 88 Ų | 88 | 43.3 Ų | 43.3 | 41% | 0.407 | 26% | 0.262 | S | S | . | . | trans | -92.9 | 119.2 | 179.8 | -176.5 | 65.8 | 0 | 0 | 0 | 112.7 | R119 L2007 D2008 | R119-H1963 PolarHBondContact NH1-CD2 2.83Å; R119-H1963 PolarHBondContact NH1-CE1 3.45Å; R119-H1963 VanDerWaalsContact NH1-CE1 3.26Å; R119-H1963 VanDerWaalsContact NH1-CG 3.25Å; R119-H1963 PolarHBondContact NH1-ND1 3.25Å; R119-H1963 PolarHBondContact NH1-NE2 3.08Å; R119-H1963 PolarHBondContact NH2-CE1 2.92Å; R119-H1963 VanDerWaalsContact NH2-CE1 3.32Å; R119-H1963 PolarHBondContact NH2-NE2 2.95Å; H1963-L2007 CarbonylContact O-C 3.58Å; H1963-L2007 WeakPolarHBondContact O-CA 3.43Å; H1963-D2008 WeakPolarHBondContact CB-OD1 3.39Å; H1963-D2008 PolarHBondContact N-OD1 2.76Å; H1963-D2008 PolarHBondContact O-N 3.5Å | ||
| 1964 | L | 86.7 | Confident | 76.2 | Confident | 17 Ų | 17 | 45.9 Ų | 45.9 | 9% | 0.089 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 121.5 | 177.9 | -167.8 | 70.6 | 0 | 0 | 0 | 111.2 | L1934 V1955 I1980 Y1989 I1991 I2005 T2006 L2007 | L1934-L1964 HydrophobicContact CD1-CD1 3.71Å; V1955-L1964 HydrophobicContact CB-CD2 4.49Å; L1964-I1980 HydrophobicContact CD2-CG2 4.23Å; L1964-I1980 HydrophobicContact CG-CD1 4.31Å; L1964-I1980 VanDerWaalsContact O-CD1 3.26Å; L1964-I1980 WeakPolarHBondContact O-CD1 3.47Å; L1964-Y1989 HydrophobicContact CD2-CD2 4.04Å; L1964-Y1989 HydrophobicContact CD2-CG 3.84Å; L1964-I1991 HydrophobicContact CD2-CD1 4.24Å; L1964-I2005 HydrophobicContact CD1-CG2 3.78Å; L1964-T2006 WeakPolarHBondContact CA-O 3.4Å; L1964-L2007 HydrophobicContact CB-CD1 4.49Å |
| 1965 | D | 84.6 | Confident | 74.7 | Confident | 54 Ų | 54 | 49.9 Ų | 49.9 | 29% | 0.289 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 148.8 | 172.2 | 178.5 | 33.5 | 0 | 0 | 0 | 110.4 | K1967 I2005 T2006 | D1965-K1967 IonicContact OD1-NZ 2.71Å; D1965-K1967 PolarHBondContact OD1-NZ 2.65Å; D1965-K1967 VanDerWaalsContact OD2-CE 3.24Å; D1965-K1967 WeakPolarHBondContact OD2-CE 3.4Å; D1965-K1967 IonicContact OD2-NZ 2.68Å; D1965-K1967 PolarHBondContact OD2-NZ 2.71Å; D1965-I2005 WeakPolarHBondContact O-CA 3.29Å; D1965-T2006 PolarHBondContact N-O 3.18Å; D1965-T2006 PolarHBondContact O-N 2.86Å |
| 1966 | A | 92.1 | Very high | 73.9 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.008 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 136.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | C1978 I1980 I1991 H2004 I2005 | A1966-C1978 HydrophobicContact CB-CB 3.81Å; A1966-C1978 VanDerWaalsContact O-CB 3.29Å; A1966-C1978 WeakPolarHBondContact O-CB 3.47Å; A1966-C1978 PolarHBondContact O-N 3.37Å; A1966-I1980 HydrophobicContact CB-CD1 4.03Å; A1966-I1980 HydrophobicContact CB-CG1 4.38Å; A1966-I1991 HydrophobicContact CB-CD1 4.16Å; A1966-I1991 HydrophobicContact CB-CG2 3.96Å; A1966-H2004 CarbonylContact C-O 3.58Å; A1966-H2004 WeakPolarHBondContact CA-O 3.39Å; A1966-I2005 HydrophobicContact CB-CG1 4.2Å; A1966-I2005 HydrophobicContact CB-CG2 4.49Å |
| 1967 | K | 84.4 | Confident | 73.6 | Confident | 72 Ų | 72 | 56.2 Ų | 56.2 | 31% | 0.313 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 142.6 | -174.5 | -52.2 | -165.7 | 178.8 | -55.8 | 0 | 111 | D1965 D1976 D1977 V2003 H2004 | D1965-K1967 IonicContact OD1-NZ 2.71Å; D1965-K1967 PolarHBondContact OD1-NZ 2.65Å; D1965-K1967 VanDerWaalsContact OD2-CE 3.24Å; D1965-K1967 WeakPolarHBondContact OD2-CE 3.4Å; D1965-K1967 IonicContact OD2-NZ 2.68Å; D1965-K1967 PolarHBondContact OD2-NZ 2.71Å; K1967-D1976 CarbonylContact C-O 3.53Å; K1967-D1977 VanDerWaalsContact CD-OD1 3.25Å; K1967-D1977 WeakPolarHBondContact CD-OD1 3.32Å; K1967-D1977 WeakPolarHBondContact CE-OD1 3.29Å; K1967-D1977 VanDerWaalsContact CG-OD1 3.31Å; K1967-D1977 WeakPolarHBondContact CG-OD1 3.34Å; K1967-D1977 IonicContact NZ-OD1 3.38Å; K1967-D1977 PolarHBondContact NZ-OD1 2.99Å; K1967-D1977 IonicContact NZ-OD2 2.62Å; K1967-D1977 PolarHBondContact NZ-OD2 3.31Å; K1967-D1977 VanDerWaalsContact NZ-OD2 3.14Å; K1967-V2003 CarbonylContact O-C 3.59Å; K1967-V2003 WeakPolarHBondContact O-CA 3.49Å; K1967-H2004 PolarHBondContact N-O 3.26Å; K1967-H2004 PolarHBondContact O-N 2.9Å |
| 1968 | V | 88.9 | Confident | 73.9 | Confident | 8 Ų | 8 | 56.6 Ų | 56.6 | 5% | 0.048 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 131.9 | 179.6 | 64.7 | 0 | 0 | 0 | 0 | 111.4 | T1975 D1976 F1993 H2001 Y2002 V2003 | V1968-T1975 CarbonylContact O-C 3.56Å; V1968-T1975 WeakPolarHBondContact O-CA 3.32Å; V1968-D1976 HydrophobicContact CG1-CB 3.85Å; V1968-D1976 PolarHBondContact N-O 2.88Å; V1968-D1976 PolarHBondContact O-N 3.24Å; V1968-F1993 HydrophobicContact CB-CD2 4.38Å; V1968-F1993 HydrophobicContact CG1-CB 4.25Å; V1968-F1993 HydrophobicContact CG1-CD2 4.42Å; V1968-F1993 HydrophobicContact CG2-CD2 3.91Å; V1968-F1993 HydrophobicContact CG2-CE2 4.2Å; V1968-F1993 HydrophobicContact CG2-CG 4.46Å; V1968-H2001 HydrophobicContact CG2-CB 3.81Å; V1968-Y2002 CarbonylContact C-O 3.5Å; V1968-Y2002 WeakPolarHBondContact CA-O 3.32Å; V1968-V2003 HydrophobicContact CB-CG2 3.99Å; V1968-V2003 HydrophobicContact CG2-CG2 3.81Å |
| 1969 | I | 71.9 | Confident | 74.3 | Confident | 52 Ų | 52 | 57.4 Ų | 57.4 | 27% | 0.267 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 129.9 | 168.8 | -45 | -176.7 | 0 | 0 | 0 | 108.4 | A1974 T1975 H2001 Y2002 H2004 | I1969-A1974 WeakPolarHBondContact CA-O 3.48Å; I1969-T1975 HydrophobicContact CG1-CG2 3.89Å; I1969-H2001 CarbonylContact O-C 3.54Å; I1969-H2001 WeakPolarHBondContact O-CA 3.46Å; I1969-Y2002 PolarHBondContact N-O 3.5Å; I1969-Y2002 PolarHBondContact O-N 2.88Å; I1969-H2004 WeakPolarHBondContact CD1-NE2 3.33Å |
| 1970 | S | 71.2 | Confident | 75.1 | Confident | 16 Ų | 16 | 57.9 Ų | 57.9 | 11% | 0.112 | 34% | 0.338 | C | S | . | . | trans | -87.5 | 166.7 | 178.6 | 78 | 0 | 0 | 0 | 0 | 113.1 | S1972 G1973 A1974 E1997 | S1970-S1972 PolarHBondContact O-N 3.21Å; S1970-S1972 PolarHBondContact OG-OG 3.42Å; S1970-G1973 WeakPolarHBondContact O-CA 3.23Å; S1970-G1973 PolarHBondContact O-N 2.98Å; S1970-A1974 PolarHBondContact N-O 2.83Å; S1970-A1974 PolarHBondContact OG-N 3.07Å; S1970-A1974 PolarHBondContact OG-O 3.12Å; S1970-E1997 VanDerWaalsContact CB-OE1 3.25Å; S1970-E1997 WeakPolarHBondContact CB-OE1 3.4Å; S1970-E1997 PolarHBondContact OG-OE1 2.98Å | ||
| 1971 | P | 59.5 | Low | 75.7 | Confident | 29 Ų | 29 | 60.7 Ų | 60.7 | 19% | 0.188 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -28.6 | 174.6 | -25.4 | 31.7 | 0 | 0 | 0 | 115.5 | G1973 E1997 N2000 H2001 | P1971-G1973 VanDerWaalsContact C-N 3.3Å; P1971-E1997 WeakPolarHBondContact CB-OE2 3.32Å; P1971-E1997 VanDerWaalsContact CD-OE2 3.27Å; P1971-E1997 WeakPolarHBondContact CD-OE2 3.27Å; P1971-E1997 HydrophobicContact CG-CB 4.14Å; P1971-N2000 WeakPolarHBondContact CG-O 3.44Å; P1971-H2001 VanDerWaalsContact CD-CE1 3.44Å; P1971-H2001 WeakPolarHBondContact CD-CE1 3.09Å |
| 1972 | S | 52.6 | Low | 76.2 | Confident | 84 Ų | 84 | 56 Ų | 56 | 59% | 0.587 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -13 | 173.3 | 69.6 | 0 | 0 | 0 | 0 | 114.2 | S1970 E1997 | S1970-S1972 PolarHBondContact O-N 3.21Å; S1970-S1972 PolarHBondContact OG-OG 3.42Å; S1972-E1997 WeakPolarHBondContact CB-OE1 3.24Å; S1972-E1997 WeakPolarHBondContact CB-OE2 3.42Å; S1972-E1997 PolarHBondContact N-OE2 2.97Å; S1972-E1997 PolarHBondContact OG-OE1 3.21Å |
| 1973 | G | 49.6 | Very low | 76.4 | Confident | 51 Ų | 51 | 58.8 Ų | 58.8 | 53% | 0.526 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 91.9 | 4.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1970 P1971 | S1970-G1973 WeakPolarHBondContact O-CA 3.23Å; S1970-G1973 PolarHBondContact O-N 2.98Å; P1971-G1973 VanDerWaalsContact C-N 3.3Å |
| 1974 | A | 57.8 | Low | 76.5 | Confident | 55 Ų | 55 | 60.5 Ų | 60.5 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | trans | -71.4 | 136.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I1969 S1970 | I1969-A1974 WeakPolarHBondContact CA-O 3.48Å; S1970-A1974 PolarHBondContact N-O 2.83Å; S1970-A1974 PolarHBondContact OG-N 3.07Å; S1970-A1974 PolarHBondContact OG-O 3.12Å | ||
| 1975 | T | 56.8 | Low | 76 | Confident | 107 Ų | 107 | 67.6 Ų | 67.6 | 66% | 0.656 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 140.5 | 175.6 | 34.1 | 0 | 0 | 0 | 0 | 111.8 | V1968 I1969 | V1968-T1975 CarbonylContact O-C 3.56Å; V1968-T1975 WeakPolarHBondContact O-CA 3.32Å; I1969-T1975 HydrophobicContact CG1-CG2 3.89Å |
| 1976 | D | 73 | Confident | 75.4 | Confident | 71 Ų | 71 | 66.7 Ų | 66.7 | 38% | 0.38 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 155.5 | 176.6 | -153.4 | -11.3 | 0 | 0 | 0 | 109.3 | K1967 V1968 K1996 | K1967-D1976 CarbonylContact C-O 3.53Å; V1968-D1976 HydrophobicContact CG1-CB 3.85Å; V1968-D1976 PolarHBondContact N-O 2.88Å; V1968-D1976 PolarHBondContact O-N 3.24Å; D1976-K1996 IonicContact OD2-NZ 3.71Å; D1976-K1996 PolarHBondContact OD2-NZ 3.2Å |
| 1977 | D | 81.7 | Confident | 74.9 | Confident | 94 Ų | 94 | 72.5 Ų | 72.5 | 50% | 0.503 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 149.3 | -177.4 | -77.8 | -11.2 | 0 | 0 | 0 | 111.7 | K1967 | K1967-D1977 VanDerWaalsContact CD-OD1 3.25Å; K1967-D1977 WeakPolarHBondContact CD-OD1 3.32Å; K1967-D1977 WeakPolarHBondContact CE-OD1 3.29Å; K1967-D1977 VanDerWaalsContact CG-OD1 3.31Å; K1967-D1977 WeakPolarHBondContact CG-OD1 3.34Å; K1967-D1977 IonicContact NZ-OD1 3.38Å; K1967-D1977 PolarHBondContact NZ-OD1 2.99Å; K1967-D1977 IonicContact NZ-OD2 2.62Å; K1967-D1977 PolarHBondContact NZ-OD2 3.31Å; K1967-D1977 VanDerWaalsContact NZ-OD2 3.14Å |
| 1978 | C | 90 | Very high | 75 | Confident | 14 Ų | 14 | 69.9 Ų | 69.9 | 10% | 0.095 | 40% | 0.402 | C | S | . | . | trans | -93.6 | 139.6 | 178.7 | -61 | 0 | 0 | 0 | 0 | 111.2 | A1966 I1980 I1991 R1992 | A1966-C1978 HydrophobicContact CB-CB 3.81Å; A1966-C1978 VanDerWaalsContact O-CB 3.29Å; A1966-C1978 WeakPolarHBondContact O-CB 3.47Å; A1966-C1978 PolarHBondContact O-N 3.37Å; C1978-I1980 PolarHBondContact O-N 2.79Å; C1978-I1991 HydrophobicContact CB-CG2 3.83Å; C1978-R1992 CarbonylContact C-O 3.44Å | ||
| 1979 | F | 87.7 | Confident | 75 | Confident | 131 Ų | 131 | 71.6 Ų | 71.6 | 58% | 0.575 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 112.9 | 171.5 | -60.7 | -85.6 | 0 | 0 | 0 | 109.4 | I1991 R1992 | F1979-I1991 CarbonylContact O-C 3.6Å; F1979-I1991 WeakPolarHBondContact O-CA 3.36Å; F1979-R1992 HydrophobicContact CB-CB 4.21Å; F1979-R1992 PolarHBondContact N-O 3.3Å; F1979-R1992 PolarHBondContact O-N 2.89Å |
| 1980 | I | 91.3 | Very high | 75.8 | Confident | 53 Ų | 53 | 69.9 Ų | 69.9 | 27% | 0.272 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 140.8 | 172.5 | -52.4 | -178.4 | 0 | 0 | 0 | 108.3 | L1964 A1966 C1978 Y1989 A1990 I1991 | L1964-I1980 HydrophobicContact CD2-CG2 4.23Å; L1964-I1980 HydrophobicContact CG-CD1 4.31Å; L1964-I1980 VanDerWaalsContact O-CD1 3.26Å; L1964-I1980 WeakPolarHBondContact O-CD1 3.47Å; A1966-I1980 HydrophobicContact CB-CD1 4.03Å; A1966-I1980 HydrophobicContact CB-CG1 4.38Å; C1978-I1980 PolarHBondContact O-N 2.79Å; I1980-Y1989 HydrophobicContact CG2-CD1 3.97Å; I1980-Y1989 HydrophobicContact CG2-CG 4.4Å; I1980-A1990 CarbonylContact C-O 3.5Å; I1980-A1990 WeakPolarHBondContact CA-O 3.4Å; I1980-I1991 HydrophobicContact CG1-CG1 4.28Å; I1980-I1991 HydrophobicContact CG2-CG1 4.49Å |
| 1981 | T | 86.1 | Confident | 76.8 | Confident | 71 Ų | 71 | 69.1 Ų | 69.1 | 44% | 0.436 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 124.2 | 178.2 | -54.1 | 0 | 0 | 0 | 0 | 108.9 | I1983 Y1989 A1990 | T1981-I1983 PolarHBondContact O-N 2.94Å; T1981-Y1989 CarbonylContact O-C 3.56Å; T1981-Y1989 WeakPolarHBondContact O-CA 3.31Å; T1981-A1990 PolarHBondContact N-O 2.94Å; T1981-A1990 PolarHBondContact O-N 2.99Å |
| 1982 | P | 82 | Confident | 78.3 | Confident | 61 Ų | 61 | 72.9 Ų | 72.9 | 40% | 0.396 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 136.7 | 174.8 | 25.5 | -32.6 | 0 | 0 | 0 | 110.4 | E1985 Y1989 | P1982-E1985 HydrophobicContact CB-CB 4.37Å; P1982-Y1989 HydrophobicContact CB-CD1 3.94Å; P1982-Y1989 HydrophobicContact CB-CE1 3.77Å |
| 1983 | I | 78.4 | Confident | 80.1 | Confident | 106 Ų | 106 | 69 Ų | 69 | 54% | 0.544 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -47.1 | 165.8 | -55.7 | 177.6 | 0 | 0 | 0 | 108 | T1954 T1981 S1988 A1990 | T1954-I1983 HydrophobicContact CG2-CD1 3.6Å; T1981-I1983 PolarHBondContact O-N 2.94Å; I1983-S1988 PolarHBondContact N-O 3.19Å; I1983-A1990 HydrophobicContact CD1-CB 4.04Å; I1983-A1990 HydrophobicContact CG1-CB 3.98Å |
| 1984 | E | 79.4 | Confident | 82 | Confident | 123 Ų | 123 | 69.9 Ų | 69.9 | 58% | 0.575 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 116.5 | 172.5 | -170.4 | 146 | -148.9 | 0 | 0 | 107.9 | G1986 E1987 S1988 | E1984-G1986 PolarHBondContact O-N 2.77Å; E1984-E1987 HydrophobicContact CB-CB 4.4Å; E1984-E1987 HydrophobicContact CG-CB 4.33Å; E1984-E1987 PolarHBondContact O-N 2.85Å; E1984-S1988 PolarHBondContact N-O 3.16Å; E1984-S1988 VanDerWaalsContact N-O 3.16Å; E1984-S1988 PolarHBondContact N-OG 3.1Å; E1984-S1988 PolarHBondContact O-N 3.43Å |
| 1985 | E | 77.4 | Confident | 83.1 | Confident | 166 Ų | 166 | 67.3 Ų | 67.3 | 78% | 0.776 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | 125.3 | -161.3 | -172 | 151 | -135.8 | 0 | 0 | 112.3 | P1982 E1987 | P1982-E1985 HydrophobicContact CB-CB 4.37Å; E1985-E1987 VanDerWaalsContact C-N 3.28Å |
| 1986 | G | 72.6 | Confident | 84 | Confident | 35 Ų | 35 | 68.2 Ų | 68.2 | 36% | 0.361 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -17.2 | -170 | 0 | 0 | 0 | 0 | 0 | 114.8 | T1957 E1984 Y1989 | T1957-G1986 PolarHBondContact OG1-O 2.62Å; E1984-G1986 PolarHBondContact O-N 2.77Å; G1986-Y1989 PolarHBondContact N-OH 3Å; G1986-Y1989 VanDerWaalsContact N-OH 3.13Å |
| 1987 | E | 80.8 | Confident | 83.9 | Confident | 123 Ų | 123 | 67.3 Ų | 67.3 | 58% | 0.575 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | -37.5 | -179 | -67 | -156.8 | -178.2 | 0 | 0 | 114.7 | V1956 T1957 E1984 E1985 | V1956-E1987 CarbonylContact C-O 3.51Å; V1956-E1987 WeakPolarHBondContact CA-O 3.32Å; T1957-E1987 PolarHBondContact N-O 2.75Å; T1957-E1987 WeakPolarHBondContact OG1-CA 3.49Å; T1957-E1987 PolarHBondContact OG1-O 3.4Å; E1984-E1987 HydrophobicContact CB-CB 4.4Å; E1984-E1987 HydrophobicContact CG-CB 4.33Å; E1984-E1987 PolarHBondContact O-N 2.85Å; E1985-E1987 VanDerWaalsContact C-N 3.28Å |
| 1988 | S | 85.4 | Confident | 83.1 | Confident | 17 Ų | 17 | 63.7 Ų | 63.7 | 12% | 0.119 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 145 | -179.5 | 64 | 0 | 0 | 0 | 0 | 115.3 | V1955 I1983 E1984 | V1955-S1988 CarbonylContact O-C 3.29Å; V1955-S1988 WeakPolarHBondContact O-CA 3.46Å; I1983-S1988 PolarHBondContact N-O 3.19Å; E1984-S1988 PolarHBondContact N-O 3.16Å; E1984-S1988 VanDerWaalsContact N-O 3.16Å; E1984-S1988 PolarHBondContact N-OG 3.1Å; E1984-S1988 PolarHBondContact O-N 3.43Å |
| 1989 | Y | 89.3 | Confident | 81.7 | Confident | 45 Ų | 45 | 63 Ų | 63 | 18% | 0.176 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 130.4 | -173.8 | -64.5 | -95.7 | 0 | 0 | 0 | 111.3 | T1954 V1955 T1957 L1964 I1980 T1981 P1982 G1986 | T1954-Y1989 CarbonylContact C-O 3.56Å; T1954-Y1989 WeakPolarHBondContact CA-O 3.23Å; V1955-Y1989 PolarHBondContact N-O 2.77Å; V1955-Y1989 PolarHBondContact O-N 2.83Å; T1957-Y1989 HydrophobicContact CG2-CD2 3.89Å; T1957-Y1989 HydrophobicContact CG2-CE2 3.73Å; L1964-Y1989 HydrophobicContact CD2-CD2 4.04Å; L1964-Y1989 HydrophobicContact CD2-CG 3.84Å; I1980-Y1989 HydrophobicContact CG2-CD1 3.97Å; I1980-Y1989 HydrophobicContact CG2-CG 4.4Å; T1981-Y1989 CarbonylContact O-C 3.56Å; T1981-Y1989 WeakPolarHBondContact O-CA 3.31Å; P1982-Y1989 HydrophobicContact CB-CD1 3.94Å; P1982-Y1989 HydrophobicContact CB-CE1 3.77Å; G1986-Y1989 PolarHBondContact N-OH 3Å; G1986-Y1989 VanDerWaalsContact N-OH 3.13Å |
| 1990 | A | 90.4 | Very high | 80.8 | Confident | 16 Ų | 16 | 57.6 Ų | 57.6 | 13% | 0.132 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 129.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | T1952 F1953 I1980 T1981 I1983 | T1952-A1990 HydrophobicContact CG2-CB 4.21Å; F1953-A1990 CarbonylContact O-C 3.53Å; F1953-A1990 WeakPolarHBondContact O-CA 3.46Å; I1980-A1990 CarbonylContact C-O 3.5Å; I1980-A1990 WeakPolarHBondContact CA-O 3.4Å; T1981-A1990 PolarHBondContact N-O 2.94Å; T1981-A1990 PolarHBondContact O-N 2.99Å; I1983-A1990 HydrophobicContact CD1-CB 4.04Å; I1983-A1990 HydrophobicContact CG1-CB 3.98Å |
| 1991 | I | 91.5 | Very high | 80 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 129.9 | 173.1 | -58.3 | -178.9 | 0 | 0 | 0 | 108.5 | T1952 F1953 V1955 L1964 A1966 C1978 F1979 I1980 I2005 | T1952-I1991 VanDerWaalsContact CA-O 3.31Å; T1952-I1991 WeakPolarHBondContact CA-O 3.45Å; F1953-I1991 HydrophobicContact CD2-CB 4.34Å; F1953-I1991 HydrophobicContact CE1-CB 4.09Å; F1953-I1991 HydrophobicContact CE1-CG2 3.94Å; F1953-I1991 HydrophobicContact CE2-CB 3.83Å; F1953-I1991 HydrophobicContact CE2-CD1 4.04Å; F1953-I1991 HydrophobicContact CE2-CG1 4.37Å; F1953-I1991 HydrophobicContact CE2-CG2 4.24Å; F1953-I1991 HydrophobicContact CZ-CB 3.69Å; F1953-I1991 HydrophobicContact CZ-CD1 4.29Å; F1953-I1991 HydrophobicContact CZ-CG2 3.6Å; F1953-I1991 PolarHBondContact N-O 3.19Å; F1953-I1991 PolarHBondContact O-N 2.99Å; V1955-I1991 HydrophobicContact CB-CD1 4.4Å; V1955-I1991 HydrophobicContact CG2-CD1 3.54Å; V1955-I1991 HydrophobicContact CG2-CG1 4.3Å; L1964-I1991 HydrophobicContact CD2-CD1 4.24Å; A1966-I1991 HydrophobicContact CB-CD1 4.16Å; A1966-I1991 HydrophobicContact CB-CG2 3.96Å; C1978-I1991 HydrophobicContact CB-CG2 3.83Å; F1979-I1991 CarbonylContact O-C 3.6Å; F1979-I1991 WeakPolarHBondContact O-CA 3.36Å; I1980-I1991 HydrophobicContact CG1-CG1 4.28Å; I1980-I1991 HydrophobicContact CG2-CG1 4.49Å; I1991-I2005 HydrophobicContact CD1-CD1 3.93Å; I1991-I2005 HydrophobicContact CD1-CG1 4.33Å; I1991-I2005 HydrophobicContact CD1-CG2 4.01Å |
| 1992 | R | 91.6 | Very high | 79.6 | Confident | 108 Ų | 108 | 55.1 Ų | 55.1 | 41% | 0.408 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 137.3 | -173.9 | 171.4 | -179.7 | -62.8 | 141.1 | 4.9 | 111.9 | P1950 V1951 T1952 C1978 F1979 | P1950-R1992 HydrophobicContact CB-CG 4.03Å; V1951-R1992 VanDerWaalsContact O-CA 3.23Å; V1951-R1992 WeakPolarHBondContact O-CA 3.44Å; V1951-R1992 WeakPolarHBondContact O-CG 3.28Å; T1952-R1992 HydrophobicContact CG2-CB 4.24Å; T1952-R1992 WeakPolarHBondContact OG1-CB 3.4Å; T1952-R1992 WeakPolarHBondContact OG1-CG 3.31Å; T1952-R1992 PolarHBondContact OG1-NE 3.4Å; C1978-R1992 CarbonylContact C-O 3.44Å; F1979-R1992 HydrophobicContact CB-CB 4.21Å; F1979-R1992 PolarHBondContact N-O 3.3Å; F1979-R1992 PolarHBondContact O-N 2.89Å |
| 1993 | F | 90.1 | Very high | 79.8 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 1% | 0.013 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 167 | 171.7 | 72.2 | -81.3 | 0 | 0 | 0 | 110.3 | P1950 V1951 F1953 V1968 P1995 H2001 V2003 F2019 | P1950-F1993 WeakPolarHBondContact CA-O 3.38Å; V1951-F1993 HydrophobicContact CB-CD1 4.15Å; V1951-F1993 HydrophobicContact CB-CE1 3.67Å; V1951-F1993 HydrophobicContact CB-CE2 4.4Å; V1951-F1993 HydrophobicContact CB-CZ 3.8Å; V1951-F1993 HydrophobicContact CG1-CD1 4.46Å; V1951-F1993 HydrophobicContact CG1-CE1 3.65Å; V1951-F1993 HydrophobicContact CG1-CZ 3.93Å; V1951-F1993 HydrophobicContact CG2-CE1 4.41Å; V1951-F1993 HydrophobicContact CG2-CE2 4.37Å; V1951-F1993 HydrophobicContact CG2-CZ 4.03Å; V1951-F1993 PolarHBondContact N-O 2.8Å; V1951-F1993 PolarHBondContact O-N 3.03Å; V1951-F1993 VanDerWaalsContact O-N 3.11Å; F1953-F1993 HydrophobicContact CE1-CD1 4.43Å; F1953-F1993 HydrophobicContact CE1-CE1 4.33Å; V1968-F1993 HydrophobicContact CB-CD2 4.38Å; V1968-F1993 HydrophobicContact CG1-CB 4.25Å; V1968-F1993 HydrophobicContact CG1-CD2 4.42Å; V1968-F1993 HydrophobicContact CG2-CD2 3.91Å; V1968-F1993 HydrophobicContact CG2-CE2 4.2Å; V1968-F1993 HydrophobicContact CG2-CG 4.46Å; F1993-P1995 HydrophobicContact CE2-CB 4.09Å; F1993-P1995 HydrophobicContact CE2-CG 4.17Å; F1993-H2001 HydrophobicContact CE2-CB 4.4Å; F1993-V2003 HydrophobicContact CD1-CG2 3.82Å; F1993-V2003 HydrophobicContact CE1-CG2 3.72Å; F1993-V2003 HydrophobicContact CE2-CG2 4.49Å; F1993-V2003 HydrophobicContact CG-CG2 4.28Å; F1993-V2003 HydrophobicContact CZ-CG2 4.08Å; F1993-F2019 HydrophobicContact CE1-CD1 4.44Å; F1993-F2019 AromaticContact CE1-CD2 3.7Å; F1993-F2019 HydrophobicContact CE1-CD2 3.7Å; F1993-F2019 AromaticContact CE1-CE2 3.83Å; F1993-F2019 HydrophobicContact CE1-CE2 3.83Å; F1993-F2019 HydrophobicContact CE1-CG 4.01Å; F1993-F2019 HydrophobicContact CE1-CZ 4.24Å; F1993-F2019 HydrophobicContact CZ-CB 3.73Å; F1993-F2019 HydrophobicContact CZ-CD1 4.32Å; F1993-F2019 AromaticContact CZ-CD2 3.68Å; F1993-F2019 HydrophobicContact CZ-CD2 3.68Å; F1993-F2019 HydrophobicContact CZ-CE2 4.28Å; F1993-F2019 AromaticContact CZ-CG 3.67Å; F1993-F2019 HydrophobicContact CZ-CG 3.67Å |
| 1994 | I | 88.3 | Confident | 80 | Confident | 69 Ų | 69 | 49.2 Ų | 49.2 | 35% | 0.354 | 24% | 0.237 | S | C | . | . | trans | -120.1 | 108.6 | 176.3 | -58.4 | 172.2 | 0 | 0 | 0 | 108.1 | P1950 K1996 | P1950-I1994 HydrophobicContact CB-CG1 4.18Å; I1994-K1996 PolarHBondContact O-N 2.72Å | ||
| 1995 | P | 80.6 | Confident | 80.3 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | trans | -68.4 | 115.4 | 172.2 | 26.5 | -31.4 | 0 | 0 | 0 | 109.9 | V1947 N1948 K1949 V1951 F1993 H2001 A2021 | V1947-P1995 WeakPolarHBondContact CG1-O 3.44Å; N1948-P1995 PolarHBondContact N-O 2.83Å; K1949-P1995 WeakPolarHBondContact O-CD 3.46Å; V1951-P1995 HydrophobicContact CG2-CG 3.94Å; F1993-P1995 HydrophobicContact CE2-CB 4.09Å; F1993-P1995 HydrophobicContact CE2-CG 4.17Å; P1995-H2001 WeakPolarHBondContact CA-NE2 3.5Å; P1995-A2021 HydrophobicContact CB-CB 3.53Å; P1995-A2021 HydrophobicContact CG-CB 3.79Å | ||
| 1996 | K | 77.2 | Confident | 80.5 | Confident | 126 Ų | 126 | 36.2 Ų | 36.2 | 55% | 0.548 | 18% | 0.177 | S | C | . | . | trans | -88.6 | -16 | -178.1 | -67 | 163.6 | -177.7 | 168.5 | 0 | 113 | D1976 I1994 | D1976-K1996 IonicContact OD2-NZ 3.71Å; D1976-K1996 PolarHBondContact OD2-NZ 3.2Å; I1994-K1996 PolarHBondContact O-N 2.72Å | ||
| 1997 | E | 69.6 | Low | 80.8 | Confident | 51 Ų | 51 | 34.9 Ų | 34.9 | 24% | 0.238 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -117.2 | 163 | -177.3 | -63.2 | 173.6 | -146.6 | 0 | 0 | 111.1 | S1970 P1971 S1972 H2001 | S1970-E1997 VanDerWaalsContact CB-OE1 3.25Å; S1970-E1997 WeakPolarHBondContact CB-OE1 3.4Å; S1970-E1997 PolarHBondContact OG-OE1 2.98Å; P1971-E1997 WeakPolarHBondContact CB-OE2 3.32Å; P1971-E1997 VanDerWaalsContact CD-OE2 3.27Å; P1971-E1997 WeakPolarHBondContact CD-OE2 3.27Å; P1971-E1997 HydrophobicContact CG-CB 4.14Å; S1972-E1997 WeakPolarHBondContact CB-OE1 3.24Å; S1972-E1997 WeakPolarHBondContact CB-OE2 3.42Å; S1972-E1997 PolarHBondContact N-OE2 2.97Å; S1972-E1997 PolarHBondContact OG-OE1 3.21Å; E1997-H2001 PolarHBondContact O-CE1 2.81Å; E1997-H2001 VanDerWaalsContact O-CE1 3.27Å |
| 1998 | V | 64.9 | Low | 80.2 | Confident | 18 Ų | 18 | 34.2 Ų | 34.2 | 11% | 0.109 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -84.4 | 130.8 | 164.3 | 178.1 | 0 | 0 | 0 | 0 | 109.4 | V1947 N2061 D2134 | V1947-V1998 HydrophobicContact CG2-CG2 3.78Å; V1998-N2061 HydrophobicContact CB-CB 4.02Å; V1998-N2061 HydrophobicContact CG1-CB 3.86Å; V1998-N2061 WeakPolarHBondContact O-CB 3.34Å; V1998-D2134 WeakPolarHBondContact CB-OD1 3.33Å; V1998-D2134 HydrophobicContact CG2-CB 4.32Å; V1998-D2134 WeakPolarHBondContact CG2-OD2 3.31Å |
| 1999 | G | 62.1 | Low | 79.1 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 126.9 | -165.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | H2001 R2020 A2021 | G1999-H2001 PolarHBondContact O-N 2.89Å; G1999-H2001 PolarHBondContact O-ND1 2.86Å; G1999-H2001 VanDerWaalsContact O-ND1 3.09Å; G1999-R2020 WeakPolarHBondContact O-CA 3.48Å; G1999-A2021 PolarHBondContact N-O 3.35Å; G1999-A2021 PolarHBondContact O-N 3.17Å |
| 2000 | N | 67.3 | Low | 77.9 | Confident | 16 Ų | 16 | 36.8 Ų | 36.8 | 9% | 0.086 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 110.5 | -173.7 | -47.5 | -67.8 | 0 | 0 | 0 | 111.4 | P1971 Y2002 R2018 N2102 | P1971-N2000 WeakPolarHBondContact CG-O 3.44Å; N2000-Y2002 HydrophobicContact CB-CE2 4.14Å; N2000-R2018 HydrophobicContact CB-CG 4.32Å; N2000-R2018 VanDerWaalsContact OD1-CZ 3.29Å; N2000-R2018 PolarHBondContact OD1-NE 2.58Å; N2000-R2018 PolarHBondContact OD1-NH2 3.12Å; N2000-N2102 PolarHBondContact ND2-O 2.81Å |
| 2001 | H | 74.1 | Confident | 76.8 | Confident | 5 Ų | 5 | 36.9 Ų | 36.9 | 2% | 0.023 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 148.5 | 165.1 | -63 | 61.7 | 0 | 0 | 0 | 109 | V1968 I1969 P1971 F1993 P1995 E1997 G1999 R2018 F2019 | V1968-H2001 HydrophobicContact CG2-CB 3.81Å; I1969-H2001 CarbonylContact O-C 3.54Å; I1969-H2001 WeakPolarHBondContact O-CA 3.46Å; P1971-H2001 VanDerWaalsContact CD-CE1 3.44Å; P1971-H2001 WeakPolarHBondContact CD-CE1 3.09Å; F1993-H2001 HydrophobicContact CE2-CB 4.4Å; P1995-H2001 WeakPolarHBondContact CA-NE2 3.5Å; E1997-H2001 PolarHBondContact O-CE1 2.81Å; E1997-H2001 VanDerWaalsContact O-CE1 3.27Å; G1999-H2001 PolarHBondContact O-N 2.89Å; G1999-H2001 PolarHBondContact O-ND1 2.86Å; G1999-H2001 VanDerWaalsContact O-ND1 3.09Å; H2001-R2018 CarbonylContact O-C 3.53Å; H2001-R2018 WeakPolarHBondContact O-CA 3.27Å; H2001-F2019 PolarHBondContact N-O 3.35Å; H2001-F2019 PolarHBondContact O-N 2.81Å |
| 2002 | Y | 79.3 | Confident | 76.2 | Confident | 67 Ų | 67 | 37.1 Ų | 37.1 | 26% | 0.263 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 112 | 178.1 | -67.3 | -84.4 | 0 | 0 | 0 | 109.9 | V1968 I1969 N2000 R2018 | V1968-Y2002 CarbonylContact C-O 3.5Å; V1968-Y2002 WeakPolarHBondContact CA-O 3.32Å; I1969-Y2002 PolarHBondContact N-O 3.5Å; I1969-Y2002 PolarHBondContact O-N 2.88Å; N2000-Y2002 HydrophobicContact CB-CE2 4.14Å; Y2002-R2018 HydrophobicContact CD1-CB 4.02Å; Y2002-R2018 HydrophobicContact CD1-CG 4.34Å; Y2002-R2018 HydrophobicContact CE1-CB 3.82Å; Y2002-R2018 HydrophobicContact CE1-CG 3.83Å |
| 2003 | V | 85 | Confident | 75.1 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 103.9 | 178.4 | 178.4 | 0 | 0 | 0 | 0 | 109.4 | F1953 K1967 V1968 F1993 I2005 P2016 F2017 F2019 | F1953-V2003 HydrophobicContact CE1-CG1 4.48Å; F1953-V2003 HydrophobicContact CZ-CG1 4.11Å; K1967-V2003 CarbonylContact O-C 3.59Å; K1967-V2003 WeakPolarHBondContact O-CA 3.49Å; V1968-V2003 HydrophobicContact CB-CG2 3.99Å; V1968-V2003 HydrophobicContact CG2-CG2 3.81Å; F1993-V2003 HydrophobicContact CD1-CG2 3.82Å; F1993-V2003 HydrophobicContact CE1-CG2 3.72Å; F1993-V2003 HydrophobicContact CE2-CG2 4.49Å; F1993-V2003 HydrophobicContact CG-CG2 4.28Å; F1993-V2003 HydrophobicContact CZ-CG2 4.08Å; V2003-I2005 HydrophobicContact CG1-CD1 4.45Å; V2003-I2005 HydrophobicContact CG1-CG1 3.93Å; V2003-P2016 CarbonylContact O-C 3.59Å; V2003-P2016 WeakPolarHBondContact O-CA 2.86Å; V2003-F2017 HydrophobicContact CB-CB 4.49Å; V2003-F2017 PolarHBondContact N-O 2.78Å; V2003-F2017 PolarHBondContact O-N 2.86Å; V2003-F2019 HydrophobicContact CB-CD2 4.07Å; V2003-F2019 HydrophobicContact CB-CE2 3.83Å; V2003-F2019 HydrophobicContact CG2-CD2 3.54Å; V2003-F2019 HydrophobicContact CG2-CE2 3.63Å |
| 2004 | H | 82 | Confident | 74.2 | Confident | 44 Ų | 44 | 42.6 Ų | 42.6 | 20% | 0.204 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 127.7 | 167.7 | -78.1 | -100.2 | 0 | 0 | 0 | 109 | A1966 K1967 I1969 H2011 | A1966-H2004 CarbonylContact C-O 3.58Å; A1966-H2004 WeakPolarHBondContact CA-O 3.39Å; K1967-H2004 PolarHBondContact N-O 3.26Å; K1967-H2004 PolarHBondContact O-N 2.9Å; I1969-H2004 WeakPolarHBondContact CD1-NE2 3.33Å; H2004-H2011 AromaticContact CG-CE1 3.77Å; H2004-H2011 AromaticContact ND1-CE1 3.23Å; H2004-H2011 PolarHBondContact ND1-CE1 3.45Å; H2004-H2011 AromaticContact ND1-NE2 3.1Å; H2004-H2011 PolarHBondContact ND1-NE2 3.01Å; H2004-H2011 VanDerWaalsContact ND1-NE2 3.1Å |
| 2005 | I | 86 | Confident | 73.4 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 131 | 172.6 | -49.2 | 176.1 | 0 | 0 | 0 | 108.8 | F1953 V1955 L1964 D1965 A1966 I1991 V2003 H2011 M2012 S2015 F2017 | F1953-I2005 HydrophobicContact CE2-CD1 3.54Å; F1953-I2005 HydrophobicContact CZ-CD1 3.66Å; V1955-I2005 HydrophobicContact CG2-CD1 4.24Å; L1964-I2005 HydrophobicContact CD1-CG2 3.78Å; D1965-I2005 WeakPolarHBondContact O-CA 3.29Å; A1966-I2005 HydrophobicContact CB-CG1 4.2Å; A1966-I2005 HydrophobicContact CB-CG2 4.49Å; I1991-I2005 HydrophobicContact CD1-CD1 3.93Å; I1991-I2005 HydrophobicContact CD1-CG1 4.33Å; I1991-I2005 HydrophobicContact CD1-CG2 4.01Å; V2003-I2005 HydrophobicContact CG1-CD1 4.45Å; V2003-I2005 HydrophobicContact CG1-CG1 3.93Å; I2005-H2011 WeakPolarHBondContact O-CA 3.4Å; I2005-H2011 PolarHBondContact O-ND1 3.06Å; I2005-M2012 HydrophobicContact CB-CG 4.03Å; I2005-M2012 HydrophobicContact CB-SD 3.91Å; I2005-M2012 HydrophobicContact CD1-SD 3.99Å; I2005-M2012 HydrophobicContact CG2-CG 4.21Å; I2005-M2012 HydrophobicContact CG2-SD 3.69Å; I2005-M2012 PolarHBondContact O-N 2.88Å; I2005-S2015 PolarHBondContact N-OG 3.4Å; I2005-S2015 PolarHBondContact O-OG 3.47Å; I2005-F2017 HydrophobicContact CB-CE2 4.33Å; I2005-F2017 HydrophobicContact CD1-CD2 3.45Å; I2005-F2017 VanDerWaalsContact CD1-CD2 3.45Å; I2005-F2017 HydrophobicContact CD1-CE2 3.49Å; I2005-F2017 VanDerWaalsContact CD1-CE2 3.49Å; I2005-F2017 HydrophobicContact CD1-CG 4.48Å; I2005-F2017 HydrophobicContact CG1-CD2 3.87Å; I2005-F2017 HydrophobicContact CG1-CE2 4.03Å |
| 2006 | T | 81.8 | Confident | 72.9 | Confident | 15 Ų | 15 | 40.9 Ų | 40.9 | 9% | 0.092 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 151.4 | -178 | 67.8 | 0 | 0 | 0 | 0 | 112.4 | L1964 D1965 I2010 H2011 | L1964-T2006 WeakPolarHBondContact CA-O 3.4Å; D1965-T2006 PolarHBondContact N-O 3.18Å; D1965-T2006 PolarHBondContact O-N 2.86Å; T2006-I2010 CarbonylContact C-O 3.53Å; T2006-I2010 WeakPolarHBondContact CA-O 3.41Å; T2006-I2010 WeakPolarHBondContact CB-O 3.34Å; T2006-H2011 VanDerWaalsContact CG2-CE1 3.44Å; T2006-H2011 WeakPolarHBondContact CG2-CE1 3.46Å; T2006-H2011 WeakPolarHBondContact CG2-ND1 3.48Å |
| 2007 | L | 78.7 | Confident | 73 | Confident | 8 Ų | 8 | 35.7 Ų | 35.7 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 116.7 | 163.9 | -162.9 | 70 | 0 | 0 | 0 | 107.1 | E1930 A1931 L1934 A1960 G1962 H1963 L1964 G2009 I2010 | E1930-L2007 HydrophobicContact CB-CD2 3.9Å; A1931-L2007 HydrophobicContact CB-CB 3.78Å; A1931-L2007 HydrophobicContact CB-CD2 4.29Å; L1934-L2007 HydrophobicContact CD1-CB 3.97Å; L1934-L2007 HydrophobicContact CD1-CD1 4.29Å; L1934-L2007 HydrophobicContact CD1-CD2 4.45Å; L1934-L2007 HydrophobicContact CD1-CG 4.48Å; A1960-L2007 HydrophobicContact CB-CD2 3.94Å; G1962-L2007 VanDerWaalsContact C-CD1 3.45Å; G1962-L2007 WeakPolarHBondContact O-CD1 3.28Å; H1963-L2007 CarbonylContact O-C 3.58Å; H1963-L2007 WeakPolarHBondContact O-CA 3.43Å; L1964-L2007 HydrophobicContact CB-CD1 4.49Å; L2007-G2009 PolarHBondContact O-N 3.48Å; L2007-G2009 VanDerWaalsContact O-N 3.12Å; L2007-I2010 PolarHBondContact N-O 2.76Å; L2007-I2010 WeakPolarHBondContact O-CA 3.25Å; L2007-I2010 WeakPolarHBondContact O-CB 3.43Å; L2007-I2010 PolarHBondContact O-N 3.02Å |
| 2008 | D | 69.9 | Low | 73.2 | Confident | 109 Ų | 109 | 37.6 Ų | 37.6 | 58% | 0.583 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 30.3 | -173.9 | -57.3 | -47.8 | 0 | 0 | 0 | 114.5 | G1962 H1963 I2010 | G1962-D2008 WeakPolarHBondContact CA-OD2 3.28Å; H1963-D2008 WeakPolarHBondContact CB-OD1 3.39Å; H1963-D2008 PolarHBondContact N-OD1 2.76Å; H1963-D2008 PolarHBondContact O-N 3.5Å; D2008-I2010 VanDerWaalsContact C-N 3.29Å; D2008-I2010 PolarHBondContact O-N 2.94Å |
| 2009 | G | 62 | Low | 73.7 | Confident | 52 Ų | 52 | 36.8 Ų | 36.8 | 54% | 0.536 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -4.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L2007 | L2007-G2009 PolarHBondContact O-N 3.48Å; L2007-G2009 VanDerWaalsContact O-N 3.12Å |
| 2010 | I | 64.2 | Low | 74.1 | Confident | 64 Ų | 64 | 38.8 Ų | 38.8 | 33% | 0.328 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 122.5 | 170.2 | -60.5 | 177 | 0 | 0 | 0 | 108.8 | S1926 A1931 T2006 L2007 D2008 M2012 | S1926-I2010 WeakPolarHBondContact OG-CG2 3.38Å; A1931-I2010 HydrophobicContact CB-CG2 4.25Å; T2006-I2010 CarbonylContact C-O 3.53Å; T2006-I2010 WeakPolarHBondContact CA-O 3.41Å; T2006-I2010 WeakPolarHBondContact CB-O 3.34Å; L2007-I2010 PolarHBondContact N-O 2.76Å; L2007-I2010 WeakPolarHBondContact O-CA 3.25Å; L2007-I2010 WeakPolarHBondContact O-CB 3.43Å; L2007-I2010 PolarHBondContact O-N 3.02Å; D2008-I2010 VanDerWaalsContact C-N 3.29Å; D2008-I2010 PolarHBondContact O-N 2.94Å; I2010-M2012 PolarHBondContact O-N 2.88Å |
| 2011 | H | 67 | Low | 74.3 | Confident | 17 Ų | 17 | 38 Ų | 38 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 137.6 | 177.6 | -91 | -56.5 | 0 | 0 | 0 | 112.8 | F1923 H2004 I2005 T2006 S2015 | F1923-H2011 AromaticContact CD1-CD2 3.79Å; F1923-H2011 AromaticContact CE1-CD2 3.52Å; H2004-H2011 AromaticContact CG-CE1 3.77Å; H2004-H2011 AromaticContact ND1-CE1 3.23Å; H2004-H2011 PolarHBondContact ND1-CE1 3.45Å; H2004-H2011 AromaticContact ND1-NE2 3.1Å; H2004-H2011 PolarHBondContact ND1-NE2 3.01Å; H2004-H2011 VanDerWaalsContact ND1-NE2 3.1Å; I2005-H2011 WeakPolarHBondContact O-CA 3.4Å; I2005-H2011 PolarHBondContact O-ND1 3.06Å; T2006-H2011 VanDerWaalsContact CG2-CE1 3.44Å; T2006-H2011 WeakPolarHBondContact CG2-CE1 3.46Å; T2006-H2011 WeakPolarHBondContact CG2-ND1 3.48Å; H2011-S2015 PolarHBondContact CE1-OG 3.35Å; H2011-S2015 PolarHBondContact ND1-OG 2.65Å |
| 2012 | M | 79 | Confident | 74 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.025 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 164.5 | 168.1 | 74.9 | 174.1 | -71.7 | 0 | 0 | 111.4 | A1931 L1934 V1936 V1955 I2005 I2010 S2015 F2017 | A1931-M2012 HydrophobicContact CB-CB 4.45Å; L1934-M2012 HydrophobicContact CB-CB 4.06Å; L1934-M2012 HydrophobicContact CB-CE 3.63Å; L1934-M2012 HydrophobicContact CB-SD 4.15Å; L1934-M2012 HydrophobicContact CD1-CB 3.79Å; L1934-M2012 HydrophobicContact CD1-SD 4.35Å; L1934-M2012 HydrophobicContact CG-CB 4.49Å; L1934-M2012 VanDerWaalsContact O-CE 3.31Å; L1934-M2012 WeakPolarHBondContact O-CE 3.43Å; V1936-M2012 HydrophobicContact CG2-CE 3.38Å; V1936-M2012 HydrophobicContact CG2-SD 4.01Å; V1955-M2012 HydrophobicContact CG1-CE 4.35Å; V1955-M2012 HydrophobicContact CG1-SD 4.28Å; V1955-M2012 HydrophobicContact CG2-SD 4.38Å; I2005-M2012 HydrophobicContact CB-CG 4.03Å; I2005-M2012 HydrophobicContact CB-SD 3.91Å; I2005-M2012 HydrophobicContact CD1-SD 3.99Å; I2005-M2012 HydrophobicContact CG2-CG 4.21Å; I2005-M2012 HydrophobicContact CG2-SD 3.69Å; I2005-M2012 PolarHBondContact O-N 2.88Å; I2010-M2012 PolarHBondContact O-N 2.88Å; M2012-S2015 VanDerWaalsContact O-CB 3.3Å; M2012-S2015 WeakPolarHBondContact O-CB 3.25Å; M2012-S2015 PolarHBondContact O-N 2.8Å; M2012-F2017 HydrophobicContact CE-CZ 4.1Å; M2012-F2017 HydrophobicContact CG-CE2 3.88Å; M2012-F2017 HydrophobicContact CG-CZ 4.16Å; M2012-F2017 HydrophobicContact SD-CE2 3.84Å; M2012-F2017 HydrophobicContact SD-CZ 4.04Å |
| 2013 | K | 68.9 | Low | 72.9 | Confident | 115 Ų | 115 | 38 Ų | 38 | 50% | 0.5 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 141.9 | 174.7 | -169.2 | -172.7 | 170.3 | -87.7 | 0 | 110.9 | S2015 F2017 | K2013-S2015 PolarHBondContact O-N 3.06Å; K2013-S2015 VanDerWaalsContact O-N 3.11Å; K2013-F2017 VanDerWaalsContact O-CZ 3.26Å; K2013-F2017 WeakPolarHBondContact O-CZ 3.36Å |
| 2014 | D | 69.4 | Low | 71.3 | Confident | 111 Ų | 111 | 44.5 Ų | 44.5 | 59% | 0.594 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 4.3 | 178.5 | -47.9 | -42.9 | 0 | 0 | 0 | 116 | F2017 | D2014-F2017 HydrophobicContact CB-CE1 3.8Å; D2014-F2017 HydrophobicContact CB-CZ 4.1Å |
| 2015 | S | 72 | Confident | 69.8 | Low | 12 Ų | 12 | 45.2 Ų | 45.2 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 143.9 | 169.6 | -179.8 | 0 | 0 | 0 | 0 | 111.8 | I2005 H2011 M2012 K2013 | I2005-S2015 PolarHBondContact N-OG 3.4Å; I2005-S2015 PolarHBondContact O-OG 3.47Å; H2011-S2015 PolarHBondContact CE1-OG 3.35Å; H2011-S2015 PolarHBondContact ND1-OG 2.65Å; M2012-S2015 VanDerWaalsContact O-CB 3.3Å; M2012-S2015 WeakPolarHBondContact O-CB 3.25Å; M2012-S2015 PolarHBondContact O-N 2.8Å; K2013-S2015 PolarHBondContact O-N 3.06Å; K2013-S2015 VanDerWaalsContact O-N 3.11Å |
| 2016 | P | 71.3 | Confident | 68.1 | Low | 22 Ų | 22 | 53.4 Ų | 53.4 | 14% | 0.143 | 29% | 0.291 | C | S | . | . | S | Bend | cis | -81.3 | 135 | 0.5 | 32.7 | -35.4 | 0 | 0 | 0 | 114 | V2003 R2018 | V2003-P2016 CarbonylContact O-C 3.59Å; V2003-P2016 WeakPolarHBondContact O-CA 2.86Å; P2016-R2018 PolarHBondContact O-N 3.48Å |
| 2017 | F | 78.1 | Confident | 67 | Low | 17 Ų | 17 | 53.5 Ų | 53.5 | 8% | 0.075 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 118.5 | -176.5 | -63.7 | -86.7 | 0 | 0 | 0 | 111.2 | V1936 F1939 V2003 I2005 M2012 K2013 D2014 F2019 | V1936-F2017 HydrophobicContact CB-CE1 4.49Å; V1936-F2017 HydrophobicContact CG2-CD1 4.5Å; V1936-F2017 HydrophobicContact CG2-CE1 3.63Å; V1936-F2017 HydrophobicContact CG2-CE2 4.08Å; V1936-F2017 HydrophobicContact CG2-CZ 3.39Å; F1939-F2017 HydrophobicContact CE2-CB 4.09Å; F1939-F2017 AromaticContact CE2-CD1 3.81Å; F1939-F2017 HydrophobicContact CE2-CD1 3.81Å; F1939-F2017 HydrophobicContact CE2-CG 4.19Å; F1939-F2017 HydrophobicContact CZ-CB 4.22Å; F1939-F2017 HydrophobicContact CZ-CD1 4.07Å; V2003-F2017 HydrophobicContact CB-CB 4.49Å; V2003-F2017 PolarHBondContact N-O 2.78Å; V2003-F2017 PolarHBondContact O-N 2.86Å; I2005-F2017 HydrophobicContact CB-CE2 4.33Å; I2005-F2017 HydrophobicContact CD1-CD2 3.45Å; I2005-F2017 VanDerWaalsContact CD1-CD2 3.45Å; I2005-F2017 HydrophobicContact CD1-CE2 3.49Å; I2005-F2017 VanDerWaalsContact CD1-CE2 3.49Å; I2005-F2017 HydrophobicContact CD1-CG 4.48Å; I2005-F2017 HydrophobicContact CG1-CD2 3.87Å; I2005-F2017 HydrophobicContact CG1-CE2 4.03Å; M2012-F2017 HydrophobicContact CE-CZ 4.1Å; M2012-F2017 HydrophobicContact CG-CE2 3.88Å; M2012-F2017 HydrophobicContact CG-CZ 4.16Å; M2012-F2017 HydrophobicContact SD-CE2 3.84Å; M2012-F2017 HydrophobicContact SD-CZ 4.04Å; K2013-F2017 VanDerWaalsContact O-CZ 3.26Å; K2013-F2017 WeakPolarHBondContact O-CZ 3.36Å; D2014-F2017 HydrophobicContact CB-CE1 3.8Å; D2014-F2017 HydrophobicContact CB-CZ 4.1Å; F2017-F2019 HydrophobicContact CB-CD2 4.37Å; F2017-F2019 HydrophobicContact CB-CE2 3.79Å; F2017-F2019 HydrophobicContact CB-CZ 4.37Å; F2017-F2019 WeakPolarHBondContact O-CD2 3.08Å |
| 2018 | R | 73.9 | Confident | 66.3 | Low | 92 Ų | 92 | 54.9 Ų | 54.9 | 35% | 0.347 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 123.4 | 178.9 | -177.9 | 177.3 | 168.9 | -171.7 | -1.1 | 111.1 | S1942 N2000 H2001 Y2002 P2016 | S1942-R2018 WeakPolarHBondContact CB-O 3.04Å; N2000-R2018 HydrophobicContact CB-CG 4.32Å; N2000-R2018 VanDerWaalsContact OD1-CZ 3.29Å; N2000-R2018 PolarHBondContact OD1-NE 2.58Å; N2000-R2018 PolarHBondContact OD1-NH2 3.12Å; H2001-R2018 CarbonylContact O-C 3.53Å; H2001-R2018 WeakPolarHBondContact O-CA 3.27Å; Y2002-R2018 HydrophobicContact CD1-CB 4.02Å; Y2002-R2018 HydrophobicContact CD1-CG 4.34Å; Y2002-R2018 HydrophobicContact CE1-CB 3.82Å; Y2002-R2018 HydrophobicContact CE1-CG 3.83Å; P2016-R2018 PolarHBondContact O-N 3.48Å |
| 2019 | F | 76.2 | Confident | 66.3 | Low | 1 Ų | 1 | 49.7 Ų | 49.7 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 121.4 | 175.6 | -68.3 | -79.4 | 0 | 0 | 0 | 110.5 | F1939 P1940 L1945 V1951 F1953 F1993 H2001 V2003 F2017 | F1939-F2019 HydrophobicContact CD2-CE1 4.13Å; F1939-F2019 AromaticContact CD2-CZ 3.99Å; F1939-F2019 HydrophobicContact CD2-CZ 3.99Å; F1939-F2019 HydrophobicContact CE1-CE1 4.37Å; F1939-F2019 AromaticContact CE2-CE1 3.49Å; F1939-F2019 HydrophobicContact CE2-CE1 3.49Å; F1939-F2019 VanDerWaalsContact CE2-CE1 3.49Å; F1939-F2019 HydrophobicContact CE2-CE2 4.09Å; F1939-F2019 AromaticContact CE2-CZ 3.22Å; F1939-F2019 HydrophobicContact CE2-CZ 3.22Å; F1939-F2019 HydrophobicContact CZ-CD1 4.31Å; F1939-F2019 AromaticContact CZ-CE1 3.62Å; F1939-F2019 HydrophobicContact CZ-CE1 3.62Å; F1939-F2019 HydrophobicContact CZ-CE2 4.43Å; F1939-F2019 AromaticContact CZ-CZ 3.72Å; F1939-F2019 HydrophobicContact CZ-CZ 3.72Å; P1940-F2019 HydrophobicContact CG-CE1 4.1Å; L1945-F2019 HydrophobicContact CD1-CB 3.78Å; L1945-F2019 HydrophobicContact CD1-CD1 3.73Å; L1945-F2019 HydrophobicContact CD1-CG 4.21Å; V1951-F2019 HydrophobicContact CG1-CD1 4.42Å; V1951-F2019 HydrophobicContact CG1-CE1 4.37Å; F1953-F2019 HydrophobicContact CD1-CE1 4.29Å; F1953-F2019 HydrophobicContact CD1-CE2 4.25Å; F1953-F2019 AromaticContact CD1-CZ 3.53Å; F1953-F2019 HydrophobicContact CD1-CZ 3.53Å; F1953-F2019 AromaticContact CE1-CE2 3.73Å; F1953-F2019 HydrophobicContact CE1-CE2 3.73Å; F1953-F2019 AromaticContact CE1-CZ 3.47Å; F1953-F2019 HydrophobicContact CE1-CZ 3.47Å; F1953-F2019 VanDerWaalsContact CE1-CZ 3.47Å; F1953-F2019 HydrophobicContact CG-CZ 4.26Å; F1953-F2019 HydrophobicContact CZ-CE2 4.26Å; F1953-F2019 HydrophobicContact CZ-CZ 4.14Å; F1993-F2019 HydrophobicContact CE1-CD1 4.44Å; F1993-F2019 AromaticContact CE1-CD2 3.7Å; F1993-F2019 HydrophobicContact CE1-CD2 3.7Å; F1993-F2019 AromaticContact CE1-CE2 3.83Å; F1993-F2019 HydrophobicContact CE1-CE2 3.83Å; F1993-F2019 HydrophobicContact CE1-CG 4.01Å; F1993-F2019 HydrophobicContact CE1-CZ 4.24Å; F1993-F2019 HydrophobicContact CZ-CB 3.73Å; F1993-F2019 HydrophobicContact CZ-CD1 4.32Å; F1993-F2019 AromaticContact CZ-CD2 3.68Å; F1993-F2019 HydrophobicContact CZ-CD2 3.68Å; F1993-F2019 HydrophobicContact CZ-CE2 4.28Å; F1993-F2019 AromaticContact CZ-CG 3.67Å; F1993-F2019 HydrophobicContact CZ-CG 3.67Å; H2001-F2019 PolarHBondContact N-O 3.35Å; H2001-F2019 PolarHBondContact O-N 2.81Å; V2003-F2019 HydrophobicContact CB-CD2 4.07Å; V2003-F2019 HydrophobicContact CB-CE2 3.83Å; V2003-F2019 HydrophobicContact CG2-CD2 3.54Å; V2003-F2019 HydrophobicContact CG2-CE2 3.63Å; F2017-F2019 HydrophobicContact CB-CD2 4.37Å; F2017-F2019 HydrophobicContact CB-CE2 3.79Å; F2017-F2019 HydrophobicContact CB-CZ 4.37Å; F2017-F2019 WeakPolarHBondContact O-CD2 3.08Å |
| 2020 | R | 69.8 | Low | 67 | Low | 42 Ų | 42 | 47.6 Ų | 47.6 | 16% | 0.158 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 103.5 | -178.9 | -179.9 | 174.5 | 169 | -175.4 | -3.9 | 111 | S1942 G1944 L1945 G1999 N2102 | S1942-R2020 WeakPolarHBondContact O-CB 3.19Å; S1942-R2020 PolarHBondContact O-N 3.01Å; G1944-R2020 PolarHBondContact N-O 2.95Å; L1945-R2020 PolarHBondContact N-O 2.99Å; G1999-R2020 WeakPolarHBondContact O-CA 3.48Å; R2020-N2102 PolarHBondContact NH2-ND2 2.95Å; R2020-N2102 VanDerWaalsContact NH2-ND2 3.15Å |
| 2021 | A | 72.2 | Confident | 67.4 | Low | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.008 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 145.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1945 V1947 P1995 G1999 | L1945-A2021 HydrophobicContact CB-CB 4.49Å; L1945-A2021 CarbonylContact O-C 3.55Å; L1945-A2021 WeakPolarHBondContact O-CA 3.44Å; V1947-A2021 HydrophobicContact CG2-CB 4.04Å; P1995-A2021 HydrophobicContact CB-CB 3.53Å; P1995-A2021 HydrophobicContact CG-CB 3.79Å; G1999-A2021 PolarHBondContact N-O 3.35Å; G1999-A2021 PolarHBondContact O-N 3.17Å |
| 2022 | G | 66.8 | Low | 68.1 | Low | 14 Ų | 14 | 45.6 Ų | 45.6 | 14% | 0.144 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 139.2 | -167.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1944 L1945 | G1944-G2022 CarbonylContact C-O 3.59Å; G1944-G2022 WeakPolarHBondContact CA-O 3.25Å; L1945-G2022 PolarHBondContact O-N 3.1Å |
| 2023 | P | 56.8 | Low | 68.1 | Low | 57 Ų | 57 | 49.1 Ų | 49.1 | 37% | 0.37 | 27% | 0.269 | S | S | . | . | trans | -70.3 | 153.9 | 178.1 | -16.7 | 31.1 | 0 | 0 | 0 | 113.4 | G1944 P2059 | G1944-P2023 WeakPolarHBondContact CA-O 3.07Å; P2023-P2059 HydrophobicContact CB-CG 4.35Å; P2023-P2059 HydrophobicContact CG-CB 3.73Å; P2023-P2059 HydrophobicContact CG-CG 3.59Å | ||
| 2024 | K | 51.5 | Low | 69 | Low | 137 Ų | 137 | 45.3 Ų | 45.3 | 60% | 0.596 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -83.5 | 120.5 | 163.1 | -74.5 | -171.7 | 179.8 | -168.2 | 0 | 110.2 | E1941 G1944 | E1941-K2024 WeakPolarHBondContact OE2-CE 3.22Å; E1941-K2024 IonicContact OE2-NZ 2.91Å; E1941-K2024 PolarHBondContact OE2-NZ 2.8Å; G1944-K2024 WeakPolarHBondContact O-CE 3.42Å |
| 2025 | G | 49.7 | Very low | 69.5 | Low | 58 Ų | 58 | 43.8 Ų | 43.8 | 60% | 0.598 | 25% | 0.252 | S | S | * | . | S | Bend | trans | 174.4 | 162.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V2027 | G2025-V2027 PolarHBondContact O-N 2.87Š|
| 2026 | E | 50.5 | Low | 69.9 | Low | 172 Ų | 172 | 44.7 Ų | 44.7 | 80% | 0.804 | 26% | 0.263 | S | S | * | . | trans | -72.6 | 75.6 | 171 | -70.4 | -168.8 | 140 | 0 | 0 | 110 | D2028 | E2026-D2028 VanDerWaalsContact C-N 3.28Å; E2026-D2028 PolarHBondContact O-N 2.76Å | ||
| 2027 | V | 58.1 | Low | 70.3 | Confident | 17 Ų | 17 | 50 Ų | 50 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | trans | -81.7 | 79.2 | 177.3 | -177.8 | 0 | 0 | 0 | 0 | 109 | G2025 P2029 V2057 Y2101 N2102 | G2025-V2027 PolarHBondContact O-N 2.87Å; V2027-P2029 WeakPolarHBondContact O-CD 3.18Å; V2027-V2057 HydrophobicContact CG1-CG1 4.14Å; V2027-Y2101 HydrophobicContact CG1-CD1 3.92Å; V2027-Y2101 HydrophobicContact CG1-CE1 3.45Å; V2027-Y2101 VanDerWaalsContact CG1-CE1 3.45Å; V2027-N2102 WeakPolarHBondContact CG1-ND2 3.42Å | ||
| 2028 | D | 65.2 | Low | 70.5 | Confident | 38 Ų | 38 | 49.3 Ų | 49.3 | 20% | 0.203 | 28% | 0.284 | C | S | . | . | trans | -81.3 | 115.2 | 178.9 | -170.9 | -33.1 | 0 | 0 | 0 | 111 | H1819 E2026 I2030 G2031 | H1819-D2028 IonicContact NE2-OD1 3.25Å; E2026-D2028 VanDerWaalsContact C-N 3.28Å; E2026-D2028 PolarHBondContact O-N 2.76Å; D2028-I2030 PolarHBondContact O-N 3.18Å; D2028-I2030 VanDerWaalsContact OD1-CB 3.24Å; D2028-I2030 WeakPolarHBondContact OD1-CB 3.38Å; D2028-I2030 WeakPolarHBondContact OD1-CD1 3.09Å; D2028-I2030 WeakPolarHBondContact OD1-CG1 3.25Å; D2028-I2030 PolarHBondContact OD1-N 3.39Å; D2028-I2030 WeakPolarHBondContact OD2-CD1 3.45Å; D2028-G2031 PolarHBondContact O-N 3.35Å | ||
| 2029 | P | 70.7 | Confident | 71 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -66 | -15.5 | 179.7 | -20.1 | 33.9 | 0 | 0 | 0 | 115.1 | V2027 G2031 I2032 I2104 | V2027-P2029 WeakPolarHBondContact O-CD 3.18Å; P2029-G2031 PolarHBondContact O-N 2.94Å; P2029-I2032 PolarHBondContact O-N 2.81Å; P2029-I2032 VanDerWaalsContact O-N 3.16Å; P2029-I2104 HydrophobicContact CB-CB 4.49Å; P2029-I2104 HydrophobicContact CB-CG2 4.31Å; P2029-I2104 HydrophobicContact CG-CB 3.79Å; P2029-I2104 HydrophobicContact CG-CD1 3.89Å; P2029-I2104 HydrophobicContact CG-CG1 4.46Å; P2029-I2104 HydrophobicContact CG-CG2 3.81Å |
| 2030 | I | 74.8 | Confident | 71 | Confident | 7 Ų | 7 | 55.2 Ų | 55.2 | 4% | 0.036 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -61.5 | -33 | 175.8 | -50.5 | 157.6 | 0 | 0 | 0 | 110.3 | M1778 T1810 S1812 P1824 D2028 I2032 P2107 | M1778-I2030 HydrophobicContact CB-CG2 4.13Å; M1778-I2030 HydrophobicContact CE-CB 4.49Å; M1778-I2030 HydrophobicContact CE-CG2 3.51Å; M1778-I2030 HydrophobicContact CG-CG2 4.47Å; M1778-I2030 HydrophobicContact SD-CG2 3.54Å; M1778-I2030 VanDerWaalsContact SD-CG2 3.54Å; T1810-I2030 HydrophobicContact CG2-CG1 4.46Å; T1810-I2030 HydrophobicContact CG2-CG2 4.25Å; S1812-I2030 WeakPolarHBondContact OG-CD1 3.48Å; S1812-I2030 WeakPolarHBondContact OG-CG1 3.22Å; P1824-I2030 HydrophobicContact CB-CG1 4.45Å; D2028-I2030 PolarHBondContact O-N 3.18Å; D2028-I2030 VanDerWaalsContact OD1-CB 3.24Å; D2028-I2030 WeakPolarHBondContact OD1-CB 3.38Å; D2028-I2030 WeakPolarHBondContact OD1-CD1 3.09Å; D2028-I2030 WeakPolarHBondContact OD1-CG1 3.25Å; D2028-I2030 PolarHBondContact OD1-N 3.39Å; D2028-I2030 WeakPolarHBondContact OD2-CD1 3.45Å; I2030-I2032 PolarHBondContact O-N 3.27Å; I2030-I2032 VanDerWaalsContact O-N 3.13Å; I2030-P2107 HydrophobicContact CB-CG 4.39Å; I2030-P2107 HydrophobicContact CG2-CG 4.08Å |
| 2031 | G | 74.1 | Confident | 71.6 | Confident | 37 Ų | 37 | 54.3 Ų | 54.3 | 38% | 0.381 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -64.9 | -12.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D2028 P2029 T2033 | D2028-G2031 PolarHBondContact O-N 3.35Å; P2029-G2031 PolarHBondContact O-N 2.94Å; G2031-T2033 PolarHBondContact O-N 3.2Å |
| 2032 | I | 81.3 | Confident | 72.2 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.015 | 32% | 0.319 | C | S | . | . | trans | -83.6 | 112.6 | 176 | -63.3 | 177 | 0 | 0 | 0 | 109.8 | P2029 I2030 V2052 V2057 Y2101 I2106 | P2029-I2032 PolarHBondContact O-N 2.81Å; P2029-I2032 VanDerWaalsContact O-N 3.16Å; I2030-I2032 PolarHBondContact O-N 3.27Å; I2030-I2032 VanDerWaalsContact O-N 3.13Å; I2032-V2052 HydrophobicContact CG2-CG1 3.44Å; I2032-V2052 VanDerWaalsContact CG2-CG1 3.44Å; I2032-V2057 HydrophobicContact CD1-CG1 4.17Å; I2032-V2057 HydrophobicContact CG1-CB 4.36Å; I2032-V2057 HydrophobicContact CG1-CG1 3.96Å; I2032-V2057 HydrophobicContact CG1-CG2 3.85Å; I2032-Y2101 HydrophobicContact CD1-CD1 3.5Å; I2032-Y2101 VanDerWaalsContact CD1-CD1 3.5Å; I2032-Y2101 HydrophobicContact CD1-CD2 3.49Å; I2032-Y2101 VanDerWaalsContact CD1-CD2 3.49Å; I2032-Y2101 HydrophobicContact CD1-CE1 4.03Å; I2032-Y2101 HydrophobicContact CD1-CE2 4.05Å; I2032-Y2101 HydrophobicContact CD1-CG 3.18Å; I2032-I2106 HydrophobicContact CB-CB 4.39Å; I2032-I2106 HydrophobicContact CB-CG2 3.89Å; I2032-I2106 HydrophobicContact CD1-CG2 4.14Å; I2032-I2106 HydrophobicContact CG2-CB 4.34Å; I2032-I2106 HydrophobicContact CG2-CD1 3.92Å; I2032-I2106 HydrophobicContact CG2-CG2 3.84Å | ||
| 2033 | T | 79.8 | Confident | 73 | Confident | 78 Ų | 78 | 58.6 Ų | 58.6 | 48% | 0.479 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 151.5 | 174.7 | 45.6 | 0 | 0 | 0 | 0 | 110.6 | G2031 N2053 | G2031-T2033 PolarHBondContact O-N 3.2Å; T2033-N2053 WeakPolarHBondContact O-CB 3.09Å; T2033-N2053 PolarHBondContact O-N 3.15Å; T2033-N2053 WeakPolarHBondContact OG1-CB 3.48Å; T2033-N2053 PolarHBondContact OG1-ND2 2.86Å; T2033-N2053 VanDerWaalsContact OG1-ND2 3.1Å |
| 2034 | V | 86.7 | Confident | 73.9 | Confident | 36 Ų | 36 | 56.3 Ų | 56.3 | 22% | 0.218 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 137.9 | 177.3 | -69.6 | 0 | 0 | 0 | 0 | 111.7 | L2039 I2051 V2052 I2099 I2106 F2111 | V2034-L2039 HydrophobicContact CB-CD1 3.61Å; V2034-L2039 HydrophobicContact CG1-CD1 4.48Å; V2034-L2039 HydrophobicContact CG2-CD1 3.54Å; V2034-I2051 VanDerWaalsContact CA-O 3.3Å; V2034-I2051 WeakPolarHBondContact CA-O 3.47Å; V2034-V2052 HydrophobicContact CG1-CB 4.32Å; V2034-V2052 HydrophobicContact CG1-CG1 4.27Å; V2034-V2052 HydrophobicContact CG1-CG2 4.01Å; V2034-I2099 HydrophobicContact CG1-CD1 4.02Å; V2034-I2106 HydrophobicContact CG1-CD1 3.49Å; V2034-I2106 VanDerWaalsContact CG1-CD1 3.49Å; V2034-I2106 HydrophobicContact CG2-CD1 4.41Å; V2034-F2111 HydrophobicContact CG2-CE1 3.8Å; V2034-F2111 HydrophobicContact CG2-CE2 3.93Å; V2034-F2111 HydrophobicContact CG2-CZ 3.39Å |
| 2035 | C | 79.6 | Confident | 75 | Confident | 79 Ų | 79 | 51.5 Ų | 51.5 | 53% | 0.534 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 138.8 | -178.6 | 63 | 0 | 0 | 0 | 0 | 113.2 | F2050 I2051 | C2035-F2050 CarbonylContact O-C 3.54Å; C2035-F2050 WeakPolarHBondContact O-CA 3.4Å; C2035-F2050 WeakPolarHBondContact O-CB 3.39Å; C2035-I2051 PolarHBondContact N-O 3.23Å; C2035-I2051 PolarHBondContact O-N 2.71Å |
| 2036 | G | 80.3 | Confident | 76.5 | Confident | 30 Ų | 30 | 53.6 Ų | 53.6 | 31% | 0.309 | 30% | 0.3 | S | S | . | . | S | Bend | trans | 142.8 | 155.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | G2038 L2039 | G2036-G2038 PolarHBondContact O-N 3.41Å; G2036-L2039 PolarHBondContact O-N 3.43Å; G2036-L2039 VanDerWaalsContact O-N 3.12Å |
| 2037 | E | 80 | Confident | 77.8 | Confident | 135 Ų | 135 | 52 Ų | 52 | 63% | 0.631 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -64.2 | -25 | -175.8 | -60.8 | -53.2 | 101.8 | 0 | 0 | 113 | L2039 R2040 G2041 | E2037-L2039 PolarHBondContact O-N 2.98Å; E2037-R2040 WeakPolarHBondContact O-CB 3.42Å; E2037-R2040 PolarHBondContact O-N 2.79Å; E2037-R2040 IonicContact OE1-NE 3.28Å; E2037-G2041 PolarHBondContact O-N 2.86Å |
| 2038 | G | 83.5 | Confident | 79.2 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -67 | 2.9 | 173 | 0 | 0 | 0 | 0 | 0 | 115.5 | G2036 E2049 Y2087 I2113 | G2036-G2038 PolarHBondContact O-N 3.41Å; G2038-E2049 PolarHBondContact N-O 2.75Å; G2038-Y2087 VanDerWaalsContact O-CE1 3.29Å; G2038-Y2087 WeakPolarHBondContact O-CE1 3.48Å; G2038-Y2087 PolarHBondContact O-OH 3.4Å; G2038-I2113 WeakPolarHBondContact O-CD1 3.36Å |
| 2039 | L | 82.4 | Confident | 80.3 | Confident | 22 Ų | 22 | 52 Ų | 52 | 12% | 0.115 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -108.6 | -3 | 164.6 | -68.6 | 175.3 | 0 | 0 | 0 | 113 | V2034 G2036 E2037 F2050 M2097 F2111 I2113 | V2034-L2039 HydrophobicContact CB-CD1 3.61Å; V2034-L2039 HydrophobicContact CG1-CD1 4.48Å; V2034-L2039 HydrophobicContact CG2-CD1 3.54Å; G2036-L2039 PolarHBondContact O-N 3.43Å; G2036-L2039 VanDerWaalsContact O-N 3.12Å; E2037-L2039 PolarHBondContact O-N 2.98Å; L2039-F2050 HydrophobicContact CD1-CB 4.16Å; L2039-F2050 HydrophobicContact CD1-CD1 4.39Å; L2039-F2050 HydrophobicContact CD1-CD2 3.77Å; L2039-F2050 HydrophobicContact CD1-CE2 4.19Å; L2039-F2050 HydrophobicContact CD1-CG 3.88Å; L2039-F2050 HydrophobicContact CD2-CD1 3.76Å; L2039-F2050 HydrophobicContact CD2-CD2 4.26Å; L2039-F2050 HydrophobicContact CD2-CE1 3.58Å; L2039-F2050 HydrophobicContact CD2-CE2 4.12Å; L2039-F2050 HydrophobicContact CD2-CG 4.09Å; L2039-F2050 HydrophobicContact CD2-CZ 3.78Å; L2039-F2050 HydrophobicContact CG-CB 3.95Å; L2039-F2050 HydrophobicContact CG-CD1 3.65Å; L2039-F2050 HydrophobicContact CG-CD2 3.96Å; L2039-F2050 HydrophobicContact CG-CE1 4.03Å; L2039-F2050 HydrophobicContact CG-CE2 4.32Å; L2039-F2050 HydrophobicContact CG-CG 3.6Å; L2039-F2050 HydrophobicContact CG-CZ 4.36Å; L2039-M2097 HydrophobicContact CD2-CB 4.21Å; L2039-M2097 HydrophobicContact CD2-CG 4.05Å; L2039-F2111 HydrophobicContact CD2-CB 4.06Å; L2039-F2111 HydrophobicContact CD2-CD2 4.35Å; L2039-F2111 HydrophobicContact CD2-CG 4.21Å; L2039-I2113 HydrophobicContact CD2-CD1 4.13Å |
| 2040 | R | 77.9 | Confident | 81.3 | Confident | 195 Ų | 195 | 52.1 Ų | 52.1 | 74% | 0.736 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -33.2 | -180 | -63 | -178 | 171.5 | -132.7 | -6.4 | 112.2 | E2037 | E2037-R2040 WeakPolarHBondContact O-CB 3.42Å; E2037-R2040 PolarHBondContact O-N 2.79Å; E2037-R2040 IonicContact OE1-NE 3.28Å |
| 2041 | G | 81.3 | Confident | 81.9 | Confident | 23 Ų | 23 | 53.8 Ų | 53.8 | 24% | 0.237 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -180 | -178.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E2037 A2114 | E2037-G2041 PolarHBondContact O-N 2.86Å; G2041-A2114 CarbonylContact C-O 3.53Å; G2041-A2114 WeakPolarHBondContact CA-O 3.34Å |
| 2042 | G | 85.5 | Confident | 82.7 | Confident | 16 Ų | 16 | 52 Ų | 52 | 17% | 0.165 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 173 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | C2048 A2114 V2115 T2116 | G2042-C2048 WeakPolarHBondContact CA-SG 3.38Å; G2042-A2114 PolarHBondContact N-O 3.26Å; G2042-V2115 WeakPolarHBondContact O-CA 3.24Å; G2042-T2116 PolarHBondContact O-N 3.45Å; G2042-T2116 PolarHBondContact O-OG1 2.58Å |
| 2043 | E | 83.4 | Confident | 82.9 | Confident | 88 Ų | 88 | 54 Ų | 54 | 41% | 0.411 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 138.3 | 169.6 | -160.9 | -176.1 | 149.1 | 0 | 0 | 109.7 | G2045 Q2046 T2116 | E2043-G2045 PolarHBondContact O-N 3.46Å; E2043-Q2046 HydrophobicContact CB-CB 4.36Å; E2043-Q2046 HydrophobicContact CB-CG 4.12Å; E2043-Q2046 WeakPolarHBondContact O-CB 3.26Å; E2043-Q2046 PolarHBondContact O-N 2.96Å; E2043-Q2046 PolarHBondContact OE2-NE2 2.83Å; E2043-T2116 CarbonylContact C-O 3.59Å; E2043-T2116 VanDerWaalsContact CA-O 3.29Å; E2043-T2116 WeakPolarHBondContact CA-O 3.26Å |
| 2044 | T | 76.5 | Confident | 83 | Confident | 10 Ų | 10 | 50.3 Ų | 50.3 | 6% | 0.061 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 128.8 | 178.3 | 49.1 | 0 | 0 | 0 | 0 | 112.4 | Q2046 P2089 A2091 P2092 V2115 T2116 G2117 R2118 | T2044-Q2046 PolarHBondContact O-N 3.31Å; T2044-P2089 CarbonylContact C-O 3.44Å; T2044-P2089 WeakPolarHBondContact CA-O 3.39Å; T2044-A2091 VanDerWaalsContact CG2-C 3.4Å; T2044-P2092 HydrophobicContact CG2-CB 4.17Å; T2044-V2115 HydrophobicContact CG2-CG1 4.02Å; T2044-T2116 WeakPolarHBondContact CG2-O 3.32Å; T2044-T2116 PolarHBondContact N-O 3.45Å; T2044-T2116 PolarHBondContact OG1-O 3.27Å; T2044-G2117 WeakPolarHBondContact OG1-CA 3.48Å; T2044-R2118 WeakPolarHBondContact CB-O 3.23Å; T2044-R2118 VanDerWaalsContact CG2-O 3.28Å; T2044-R2118 WeakPolarHBondContact CG2-O 3.07Å; T2044-R2118 PolarHBondContact OG1-N 2.9Å; T2044-R2118 PolarHBondContact OG1-O 3.08Å |
| 2045 | G | 73.5 | Confident | 82.4 | Confident | 35 Ų | 35 | 49.1 Ų | 49.1 | 36% | 0.361 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | -8.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | E2043 P2089 | E2043-G2045 PolarHBondContact O-N 3.46Å; G2045-P2089 PolarHBondContact N-O 3Å |
| 2046 | Q | 81.1 | Confident | 81.8 | Confident | 102 Ų | 102 | 52.4 Ų | 52.4 | 48% | 0.477 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -90.8 | 142.8 | 173.1 | -60.8 | -168 | 31.1 | 0 | 0 | 111.3 | E2043 T2044 C2048 | E2043-Q2046 HydrophobicContact CB-CB 4.36Å; E2043-Q2046 HydrophobicContact CB-CG 4.12Å; E2043-Q2046 WeakPolarHBondContact O-CB 3.26Å; E2043-Q2046 PolarHBondContact O-N 2.96Å; E2043-Q2046 PolarHBondContact OE2-NE2 2.83Å; T2044-Q2046 PolarHBondContact O-N 3.31Å; Q2046-C2048 PolarHBondContact O-N 3.1Å |
| 2047 | K | 79 | Confident | 81.2 | Confident | 138 Ų | 138 | 51.6 Ų | 51.6 | 60% | 0.6 | 26% | 0.257 | S | S | * | . | P | Polyproline II helix | trans | -70.8 | 124.1 | 172.3 | 67.7 | -171 | -178.6 | 175.9 | 0 | 109.7 | R2086 | K2047-R2086 HydrophobicContact CB-CG 4.16Š|
| 2048 | C | 85.6 | Confident | 80.6 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 7% | 0.074 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 138.6 | 171.2 | -65.3 | 0 | 0 | 0 | 0 | 108.6 | G2042 Q2046 R2086 Y2087 | G2042-C2048 WeakPolarHBondContact CA-SG 3.38Å; Q2046-C2048 PolarHBondContact O-N 3.1Å; C2048-R2086 VanDerWaalsContact O-CA 3.3Å; C2048-R2086 WeakPolarHBondContact O-CA 3.3Å; C2048-Y2087 HydrophobicContact CB-CD1 3.95Å; C2048-Y2087 HydrophobicContact CB-CD2 4.16Å; C2048-Y2087 HydrophobicContact CB-CE1 3.39Å; C2048-Y2087 HydrophobicContact CB-CE2 3.64Å; C2048-Y2087 HydrophobicContact CB-CG 4.28Å; C2048-Y2087 VanDerWaalsContact CB-OH 3.3Å; C2048-Y2087 WeakPolarHBondContact CB-OH 3.5Å; C2048-Y2087 PolarHBondContact N-O 2.96Å; C2048-Y2087 PolarHBondContact O-N 2.93Å |
| 2049 | E | 89 | Confident | 80 | Confident | 45 Ų | 45 | 47.9 Ų | 47.9 | 21% | 0.21 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 141 | -175.6 | -65.9 | -175.6 | -166.1 | 0 | 0 | 111.6 | G2038 K2084 V2085 R2086 | G2038-E2049 PolarHBondContact N-O 2.75Å; E2049-K2084 WeakPolarHBondContact OE2-CD 3.2Å; E2049-K2084 WeakPolarHBondContact OE2-CE 3.39Å; E2049-K2084 IonicContact OE2-NZ 3.71Å; E2049-K2084 PolarHBondContact OE2-NZ 2.86Å; E2049-V2085 WeakPolarHBondContact CA-O 3.42Å; E2049-R2086 HydrophobicContact CG-CB 4.09Å; E2049-R2086 HydrophobicContact CG-CG 3.96Å; E2049-R2086 IonicContact OE1-CZ 3.56Å; E2049-R2086 IonicContact OE1-NE 3.72Å; E2049-R2086 PolarHBondContact OE1-NE 2.9Å; E2049-R2086 IonicContact OE1-NH2 3.72Å; E2049-R2086 PolarHBondContact OE1-NH2 2.92Å; E2049-R2086 IonicContact OE2-NH2 2.67Å |
| 2050 | F | 91.5 | Very high | 79.5 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 170.6 | 167.2 | 63.7 | -92.9 | 0 | 0 | 0 | 110.4 | C2035 L2039 V2052 K2084 V2085 Y2087 M2097 I2099 | C2035-F2050 CarbonylContact O-C 3.54Å; C2035-F2050 WeakPolarHBondContact O-CA 3.4Å; C2035-F2050 WeakPolarHBondContact O-CB 3.39Å; L2039-F2050 HydrophobicContact CD1-CB 4.16Å; L2039-F2050 HydrophobicContact CD1-CD1 4.39Å; L2039-F2050 HydrophobicContact CD1-CD2 3.77Å; L2039-F2050 HydrophobicContact CD1-CE2 4.19Å; L2039-F2050 HydrophobicContact CD1-CG 3.88Å; L2039-F2050 HydrophobicContact CD2-CD1 3.76Å; L2039-F2050 HydrophobicContact CD2-CD2 4.26Å; L2039-F2050 HydrophobicContact CD2-CE1 3.58Å; L2039-F2050 HydrophobicContact CD2-CE2 4.12Å; L2039-F2050 HydrophobicContact CD2-CG 4.09Å; L2039-F2050 HydrophobicContact CD2-CZ 3.78Å; L2039-F2050 HydrophobicContact CG-CB 3.95Å; L2039-F2050 HydrophobicContact CG-CD1 3.65Å; L2039-F2050 HydrophobicContact CG-CD2 3.96Å; L2039-F2050 HydrophobicContact CG-CE1 4.03Å; L2039-F2050 HydrophobicContact CG-CE2 4.32Å; L2039-F2050 HydrophobicContact CG-CG 3.6Å; L2039-F2050 HydrophobicContact CG-CZ 4.36Å; F2050-V2052 HydrophobicContact CD2-CG2 4.35Å; F2050-V2052 HydrophobicContact CE2-CG2 3.91Å; F2050-K2084 CarbonylContact O-C 3.52Å; F2050-K2084 WeakPolarHBondContact O-CA 3.36Å; F2050-V2085 HydrophobicContact CD1-CB 4.24Å; F2050-V2085 HydrophobicContact CD1-CG1 4.47Å; F2050-V2085 HydrophobicContact CD2-CB 4.07Å; F2050-V2085 HydrophobicContact CD2-CG2 4.22Å; F2050-V2085 HydrophobicContact CE1-CB 3.86Å; F2050-V2085 HydrophobicContact CE1-CG1 3.73Å; F2050-V2085 HydrophobicContact CE2-CB 3.65Å; F2050-V2085 HydrophobicContact CE2-CG1 4.21Å; F2050-V2085 HydrophobicContact CE2-CG2 3.56Å; F2050-V2085 HydrophobicContact CG-CB 4.34Å; F2050-V2085 HydrophobicContact CZ-CB 3.54Å; F2050-V2085 HydrophobicContact CZ-CG1 3.57Å; F2050-V2085 HydrophobicContact CZ-CG2 3.76Å; F2050-V2085 PolarHBondContact N-O 2.83Å; F2050-V2085 PolarHBondContact O-N 3.5Å; F2050-V2085 VanDerWaalsContact O-O 3.13Å; F2050-Y2087 HydrophobicContact CD1-CE1 4.45Å; F2050-Y2087 HydrophobicContact CE1-CD1 4.33Å; F2050-Y2087 HydrophobicContact CE1-CE1 4.22Å; F2050-M2097 HydrophobicContact CE1-CE 3.64Å; F2050-M2097 HydrophobicContact CE1-CG 4.21Å; F2050-M2097 HydrophobicContact CZ-CE 3.79Å; F2050-M2097 HydrophobicContact CZ-CG 3.8Å; F2050-M2097 HydrophobicContact CZ-SD 4.12Å; F2050-I2099 HydrophobicContact CE2-CD1 3.66Å; F2050-I2099 HydrophobicContact CZ-CD1 3.96Å |
| 2051 | I | 88.4 | Confident | 79.4 | Confident | 42 Ų | 42 | 38.2 Ų | 38.2 | 22% | 0.215 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 131.1 | 179.6 | -61.6 | 176.6 | 0 | 0 | 0 | 108.7 | V2034 C2035 V2079 V2081 K2084 | V2034-I2051 VanDerWaalsContact CA-O 3.3Å; V2034-I2051 WeakPolarHBondContact CA-O 3.47Å; C2035-I2051 PolarHBondContact N-O 3.23Å; C2035-I2051 PolarHBondContact O-N 2.71Å; I2051-V2079 HydrophobicContact CG2-CG2 4.2Å; I2051-V2081 HydrophobicContact CG2-CG2 3.7Å; I2051-K2084 HydrophobicContact CG1-CB 4.25Å |
| 2052 | V | 90.7 | Very high | 79.6 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 110.8 | 162.9 | -174.1 | 0 | 0 | 0 | 0 | 106.9 | I2032 V2034 F2050 T2054 L2062 G2082 Y2083 V2085 I2099 | I2032-V2052 HydrophobicContact CG2-CG1 3.44Å; I2032-V2052 VanDerWaalsContact CG2-CG1 3.44Å; V2034-V2052 HydrophobicContact CG1-CB 4.32Å; V2034-V2052 HydrophobicContact CG1-CG1 4.27Å; V2034-V2052 HydrophobicContact CG1-CG2 4.01Å; F2050-V2052 HydrophobicContact CD2-CG2 4.35Å; F2050-V2052 HydrophobicContact CE2-CG2 3.91Å; V2052-T2054 HydrophobicContact CG1-CG2 4.15Å; V2052-L2062 HydrophobicContact CB-CD2 4.3Å; V2052-L2062 HydrophobicContact CG1-CD1 4.06Å; V2052-L2062 HydrophobicContact CG1-CD2 4.14Å; V2052-G2082 CarbonylContact O-C 3.57Å; V2052-G2082 WeakPolarHBondContact O-CA 3.38Å; V2052-Y2083 PolarHBondContact N-O 2.83Å; V2052-Y2083 PolarHBondContact O-N 2.76Å; V2052-V2085 HydrophobicContact CG2-CG2 3.91Å; V2052-I2099 HydrophobicContact CG2-CD1 4.36Å |
| 2053 | N | 84.4 | Confident | 79.6 | Confident | 45 Ų | 45 | 37.5 Ų | 37.5 | 24% | 0.241 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 124.1 | 177.2 | 176.4 | 12.4 | 0 | 0 | 0 | 109.2 | T2033 C2055 V2081 | T2033-N2053 WeakPolarHBondContact O-CB 3.09Å; T2033-N2053 PolarHBondContact O-N 3.15Å; T2033-N2053 WeakPolarHBondContact OG1-CB 3.48Å; T2033-N2053 PolarHBondContact OG1-ND2 2.86Å; T2033-N2053 VanDerWaalsContact OG1-ND2 3.1Å; N2053-C2055 WeakPolarHBondContact OD1-CB 3.38Å; N2053-C2055 PolarHBondContact OD1-N 3.26Å; N2053-C2055 VanDerWaalsContact OD1-N 3.14Å; N2053-V2081 WeakPolarHBondContact CA-O 3.25Å; N2053-V2081 PolarHBondContact OD1-O 3.18Å |
| 2054 | T | 83.7 | Confident | 80 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -123.1 | 15.5 | -179.3 | 66.2 | 0 | 0 | 0 | 0 | 112.2 | V2052 H2056 V2057 V2081 G2082 Y2083 | V2052-T2054 HydrophobicContact CG1-CG2 4.15Å; T2054-H2056 PolarHBondContact O-N 2.77Å; T2054-V2057 PolarHBondContact O-N 3.18Å; T2054-V2081 PolarHBondContact N-O 3.39Å; T2054-G2082 WeakPolarHBondContact OG1-CA 3.5Å; T2054-Y2083 HydrophobicContact CG2-CD2 4.12Å; T2054-Y2083 HydrophobicContact CG2-CE2 4.48Å | ||
| 2055 | C | 74.1 | Confident | 80.6 | Confident | 12 Ų | 12 | 34.9 Ų | 34.9 | 8% | 0.081 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -59.1 | 136.6 | 175.5 | -74.7 | 0 | 0 | 0 | 0 | 111.7 | N2053 V2057 V2081 K2138 | N2053-C2055 WeakPolarHBondContact OD1-CB 3.38Å; N2053-C2055 PolarHBondContact OD1-N 3.26Å; N2053-C2055 VanDerWaalsContact OD1-N 3.14Å; C2055-V2057 PolarHBondContact O-N 2.63Å; C2055-V2081 PolarHBondContact N-O 3.45Å; C2055-V2081 PolarHBondContact SG-O 3.25Å; C2055-K2138 WeakPolarHBondContact CA-O 3.48Å |
| 2056 | H | 65.7 | Low | 81.5 | Confident | 147 Ų | 147 | 33.4 Ų | 33.4 | 68% | 0.681 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | -7.9 | 177.6 | -38.9 | 119.5 | 0 | 0 | 0 | 116.4 | T2054 G2058 K2138 | T2054-H2056 PolarHBondContact O-N 2.77Å; H2056-G2058 VanDerWaalsContact C-N 3.28Å; H2056-G2058 PolarHBondContact O-N 3.3Å; H2056-K2138 PolarHBondContact N-O 2.91Å |
| 2057 | V | 67.4 | Low | 81.7 | Confident | 13 Ų | 13 | 30 Ų | 30 | 8% | 0.079 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -21.8 | 174.9 | -178.1 | 0 | 0 | 0 | 0 | 112.3 | V2027 I2032 T2054 C2055 Y2101 | V2027-V2057 HydrophobicContact CG1-CG1 4.14Å; I2032-V2057 HydrophobicContact CD1-CG1 4.17Å; I2032-V2057 HydrophobicContact CG1-CB 4.36Å; I2032-V2057 HydrophobicContact CG1-CG1 3.96Å; I2032-V2057 HydrophobicContact CG1-CG2 3.85Å; T2054-V2057 PolarHBondContact O-N 3.18Å; C2055-V2057 PolarHBondContact O-N 2.63Å; V2057-Y2101 HydrophobicContact CG1-CD1 4.18Å; V2057-Y2101 HydrophobicContact CG1-CE1 3.7Å |
| 2058 | G | 68.3 | Low | 82 | Confident | 15 Ų | 15 | 23.4 Ų | 23.4 | 16% | 0.155 | 13% | 0.125 | C | C | . | . | trans | 94 | -166.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | H2056 Y2101 | H2056-G2058 VanDerWaalsContact C-N 3.28Å; H2056-G2058 PolarHBondContact O-N 3.3Å; G2058-Y2101 PolarHBondContact O-OH 3.16Å; G2058-Y2101 VanDerWaalsContact O-OH 3.07Å | ||
| 2059 | P | 70.4 | Confident | 81.6 | Confident | 45 Ų | 45 | 24.4 Ų | 24.4 | 29% | 0.292 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -89 | 150 | 175.1 | 4 | 15.1 | 0 | 0 | 0 | 112.1 | P2023 T2135 A2137 | P2023-P2059 HydrophobicContact CB-CG 4.35Å; P2023-P2059 HydrophobicContact CG-CB 3.73Å; P2023-P2059 HydrophobicContact CG-CG 3.59Å; P2059-T2135 VanDerWaalsContact CA-O 3.24Å; P2059-T2135 WeakPolarHBondContact CA-O 3.36Å; P2059-T2135 VanDerWaalsContact CB-O 3.26Å; P2059-T2135 WeakPolarHBondContact CB-O 3.36Å; P2059-A2137 HydrophobicContact CG-CB 3.97Å |
| 2060 | G | 72.1 | Confident | 80.9 | Confident | 3 Ų | 3 | 22.4 Ų | 22.4 | 3% | 0.031 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.8 | 168.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L2062 Y2101 T2135 | G2060-L2062 PolarHBondContact O-N 2.8Å; G2060-Y2101 WeakPolarHBondContact CA-OH 3.34Å; G2060-Y2101 PolarHBondContact N-OH 2.88Å; G2060-Y2101 VanDerWaalsContact N-OH 3.09Å; G2060-T2135 PolarHBondContact N-O 2.84Å; G2060-T2135 PolarHBondContact N-OG1 2.86Å; G2060-T2135 WeakPolarHBondContact O-CB 3.34Å; G2060-T2135 PolarHBondContact O-N 3.26Å; G2060-T2135 PolarHBondContact O-OG1 2.84Å |
| 2061 | N | 77 | Confident | 80.1 | Confident | 11 Ų | 11 | 28.5 Ų | 28.5 | 6% | 0.059 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 111.4 | -176.4 | -178.1 | -101 | 0 | 0 | 0 | 111.7 | V1998 Q2063 Y2101 N2102 S2132 D2134 | V1998-N2061 HydrophobicContact CB-CB 4.02Å; V1998-N2061 HydrophobicContact CG1-CB 3.86Å; V1998-N2061 WeakPolarHBondContact O-CB 3.34Å; N2061-Q2063 WeakPolarHBondContact OD1-CG 3.39Å; N2061-Q2063 PolarHBondContact OD1-NE2 2.9Å; N2061-Y2101 CarbonylContact O-C 3.21Å; N2061-Y2101 WeakPolarHBondContact O-CA 3.34Å; N2061-N2102 PolarHBondContact N-OD1 2.94Å; N2061-N2102 PolarHBondContact O-N 2.9Å; N2061-S2132 PolarHBondContact ND2-OG 3.48Å; N2061-S2132 PolarHBondContact OD1-OG 2.97Å; N2061-D2134 WeakPolarHBondContact CB-OD1 3.46Å; N2061-D2134 PolarHBondContact ND2-OD1 2.92Å |
| 2062 | L | 84.8 | Confident | 79.5 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 135 | 170.7 | 177.9 | 61.2 | 0 | 0 | 0 | 109.7 | V2052 G2060 V2064 Y2083 I2099 Y2101 S2132 I2133 T2135 | V2052-L2062 HydrophobicContact CB-CD2 4.3Å; V2052-L2062 HydrophobicContact CG1-CD1 4.06Å; V2052-L2062 HydrophobicContact CG1-CD2 4.14Å; G2060-L2062 PolarHBondContact O-N 2.8Å; L2062-V2064 HydrophobicContact CD1-CG2 4.31Å; L2062-V2064 HydrophobicContact CD2-CG2 4.48Å; L2062-V2064 HydrophobicContact CG-CG2 4.14Å; L2062-Y2083 HydrophobicContact CD2-CD2 4.04Å; L2062-Y2083 HydrophobicContact CD2-CG 4.15Å; L2062-I2099 HydrophobicContact CD1-CG2 3.91Å; L2062-Y2101 HydrophobicContact CB-CD2 3.92Å; L2062-Y2101 HydrophobicContact CB-CE2 4.11Å; L2062-Y2101 HydrophobicContact CD1-CD2 4.16Å; L2062-S2132 CarbonylContact O-C 3.54Å; L2062-S2132 WeakPolarHBondContact O-CA 3.32Å; L2062-S2132 PolarHBondContact O-OG 2.81Å; L2062-I2133 PolarHBondContact N-O 3.15Å; L2062-I2133 PolarHBondContact O-N 3.38Å; L2062-T2135 HydrophobicContact CB-CG2 3.61Å; L2062-T2135 HydrophobicContact CD2-CG2 4.28Å |
| 2063 | Q | 85.8 | Confident | 78.7 | Confident | 21 Ų | 21 | 28.4 Ų | 28.4 | 10% | 0.098 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 127.9 | 176.9 | -54.1 | -173.5 | 0.3 | 0 | 0 | 108.8 | N2061 I2099 K2100 | N2061-Q2063 WeakPolarHBondContact OD1-CG 3.39Å; N2061-Q2063 PolarHBondContact OD1-NE2 2.9Å; Q2063-I2099 WeakPolarHBondContact O-CA 3.42Å; Q2063-K2100 HydrophobicContact CB-CB 4.33Å; Q2063-K2100 PolarHBondContact N-O 3.32Å; Q2063-K2100 PolarHBondContact O-N 3.17Å |
| 2064 | V | 91.5 | Very high | 78.6 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.018 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 124.9 | -179.3 | -178.3 | 0 | 0 | 0 | 0 | 107.8 | L2062 L2074 V2085 M2097 T2098 I2099 R2130 V2131 | L2062-V2064 HydrophobicContact CD1-CG2 4.31Å; L2062-V2064 HydrophobicContact CD2-CG2 4.48Å; L2062-V2064 HydrophobicContact CG-CG2 4.14Å; V2064-L2074 HydrophobicContact CG1-CD1 4.33Å; V2064-L2074 HydrophobicContact CG1-CD2 4.37Å; V2064-V2085 HydrophobicContact CG1-CG1 4.14Å; V2064-V2085 HydrophobicContact CG1-CG2 4.25Å; V2064-V2085 HydrophobicContact CG2-CG2 4.23Å; V2064-M2097 HydrophobicContact CG1-CE 4.27Å; V2064-M2097 HydrophobicContact CG1-SD 3.45Å; V2064-M2097 WeakPolarHBondContact CG1-SD 3.46Å; V2064-T2098 WeakPolarHBondContact CA-O 3.17Å; V2064-I2099 HydrophobicContact CG1-CG1 4.45Å; V2064-I2099 HydrophobicContact CG2-CG2 4.43Å; V2064-R2130 CarbonylContact O-C 3.45Å; V2064-R2130 WeakPolarHBondContact O-CA 3.38Å; V2064-V2131 PolarHBondContact N-O 3.07Å; V2064-V2131 PolarHBondContact O-N 2.84Å; V2064-V2131 VanDerWaalsContact O-O 3.14Å |
| 2065 | Q | 89.8 | Confident | 78.2 | Confident | 41 Ų | 41 | 29.9 Ų | 29.9 | 19% | 0.192 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 135.6 | -179.1 | 172.4 | 173.7 | -27.3 | 0 | 0 | 109.8 | D2067 M2097 T2098 S2129 R2130 | Q2065-D2067 PolarHBondContact NE2-OD1 2.85Å; Q2065-M2097 CarbonylContact O-C 3.56Å; Q2065-M2097 WeakPolarHBondContact O-CA 3.35Å; Q2065-M2097 VanDerWaalsContact O-SD 3.33Å; Q2065-T2098 PolarHBondContact N-O 2.98Å; Q2065-T2098 PolarHBondContact O-N 2.85Å; Q2065-S2129 CarbonylContact C-O 3.58Å; Q2065-S2129 WeakPolarHBondContact CA-O 3.37Å; Q2065-R2130 HydrophobicContact CB-CB 4.29Å; Q2065-R2130 HydrophobicContact CB-CG 4.2Å; Q2065-R2130 HydrophobicContact CG-CB 4.4Å |
| 2066 | L | 90.7 | Very high | 78.5 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 115.2 | -179.4 | -178.1 | 58.6 | 0 | 0 | 0 | 109.3 | A2072 L2074 Y2087 Y2095 F2096 M2097 I2113 Y2128 S2129 | L2066-A2072 HydrophobicContact CD2-CB 3.72Å; L2066-L2074 HydrophobicContact CB-CD2 4.25Å; L2066-Y2087 HydrophobicContact CD2-CD1 4.16Å; L2066-Y2087 HydrophobicContact CD2-CD2 3.35Å; L2066-Y2087 HydrophobicContact CD2-CE2 3.96Å; L2066-Y2087 HydrophobicContact CD2-CG 3.49Å; L2066-Y2087 VanDerWaalsContact CD2-CG 3.49Å; L2066-Y2095 HydrophobicContact CD1-CD1 4.15Å; L2066-Y2095 HydrophobicContact CD1-CG 4.45Å; L2066-Y2095 HydrophobicContact CG-CD1 4.18Å; L2066-F2096 WeakPolarHBondContact CA-O 3.39Å; L2066-M2097 HydrophobicContact CB-CE 3.83Å; L2066-M2097 HydrophobicContact CB-SD 3.98Å; L2066-M2097 HydrophobicContact CD1-CB 4.17Å; L2066-M2097 HydrophobicContact CD1-CE 3.86Å; L2066-M2097 HydrophobicContact CD1-SD 4.3Å; L2066-M2097 HydrophobicContact CD2-CE 3.93Å; L2066-M2097 HydrophobicContact CG-CE 4.09Å; L2066-I2113 HydrophobicContact CD1-CD1 4.4Å; L2066-Y2128 VanDerWaalsContact O-CA 3.29Å; L2066-Y2128 WeakPolarHBondContact O-CA 3.31Å; L2066-S2129 PolarHBondContact N-O 2.61Å; L2066-S2129 PolarHBondContact O-N 3.08Å |
| 2067 | D | 86.8 | Confident | 79 | Confident | 29 Ų | 29 | 27.7 Ų | 27.7 | 16% | 0.155 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 138.3 | 178.7 | -47.3 | -70.9 | 0 | 0 | 0 | 109.2 | Q2065 Y2095 F2096 E2127 Y2128 | Q2065-D2067 PolarHBondContact NE2-OD1 2.85Å; D2067-Y2095 CarbonylContact O-C 3.58Å; D2067-Y2095 VanDerWaalsContact O-CA 3.24Å; D2067-Y2095 WeakPolarHBondContact O-CA 3.26Å; D2067-F2096 PolarHBondContact N-O 3.16Å; D2067-F2096 PolarHBondContact O-N 3.34Å; D2067-E2127 CarbonylContact C-O 3.59Å; D2067-E2127 WeakPolarHBondContact CA-O 3.45Å; D2067-Y2128 WeakPolarHBondContact OD1-CB 3.27Å |
| 2068 | G | 85.3 | Confident | 79.3 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.9 | -173.7 | 174 | 0 | 0 | 0 | 0 | 0 | 115.8 | S2070 N2126 E2127 | G2068-S2070 PolarHBondContact O-N 3.33Å; G2068-N2126 WeakPolarHBondContact CA-OD1 3.34Å; G2068-N2126 PolarHBondContact N-OD1 3.19Å; G2068-N2126 PolarHBondContact O-OD1 3.27Å; G2068-E2127 PolarHBondContact N-O 2.79Å; G2068-E2127 PolarHBondContact O-N 2.87Å; G2068-E2127 VanDerWaalsContact O-O 3.1Å |
| 2069 | P | 76.8 | Confident | 79.8 | Confident | 32 Ų | 32 | 33 Ų | 33 | 21% | 0.208 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -63.4 | -3.4 | -171 | -26.2 | 35.4 | 0 | 0 | 0 | 117.8 | A2091 D2094 G2124 | P2069-A2091 HydrophobicContact CB-CB 3.99Å; P2069-D2094 WeakPolarHBondContact CD-O 3.46Å; P2069-G2124 PolarHBondContact O-N 2.93Å |
| 2070 | S | 74.5 | Confident | 80 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -152.2 | 150 | 169 | 68.3 | 0 | 0 | 0 | 0 | 110.7 | G2068 A2072 L2090 A2091 Y2095 G2121 | G2068-S2070 PolarHBondContact O-N 3.33Å; S2070-A2072 PolarHBondContact O-N 3.12Å; S2070-L2090 PolarHBondContact OG-N 3.46Å; S2070-A2091 PolarHBondContact OG-N 3.17Å; S2070-Y2095 PolarHBondContact N-OH 3.32Å; S2070-Y2095 WeakPolarHBondContact O-CE1 3.32Å; S2070-Y2095 PolarHBondContact OG-OH 2.83Å; S2070-G2121 WeakPolarHBondContact CB-O 3.49Å |
| 2071 | K | 74.5 | Confident | 80.3 | Confident | 130 Ų | 130 | 39.1 Ų | 39.1 | 57% | 0.565 | 20% | 0.204 | S | C | * | . | trans | -66.7 | 95.8 | 171.1 | -169.1 | 173.4 | -172.7 | 175.7 | 0 | 110.6 | E2127 S2129 | K2071-E2127 HydrophobicContact CB-CB 4.11Å; K2071-E2127 WeakPolarHBondContact CB-OE2 3.15Å; K2071-E2127 PolarHBondContact N-OE2 2.81Å; K2071-S2129 WeakPolarHBondContact CE-OG 3.45Å; K2071-S2129 VanDerWaalsContact CG-OG 3.28Å; K2071-S2129 WeakPolarHBondContact CG-OG 3.26Å | ||
| 2072 | A | 75.2 | Confident | 80.7 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 3% | 0.033 | 20% | 0.201 | C | C | . | . | trans | -65.3 | 149.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L2066 S2070 Y2087 T2088 S2129 | L2066-A2072 HydrophobicContact CD2-CB 3.72Å; S2070-A2072 PolarHBondContact O-N 3.12Å; A2072-Y2087 HydrophobicContact CB-CD2 4.37Å; A2072-T2088 WeakPolarHBondContact CA-O 3.44Å; A2072-T2088 WeakPolarHBondContact CB-O 3.46Å; A2072-S2129 WeakPolarHBondContact O-CB 3.46Å; A2072-S2129 PolarHBondContact O-OG 3.25Å | ||
| 2073 | T | 74.7 | Confident | 80.8 | Confident | 37 Ų | 37 | 38.8 Ų | 38.8 | 23% | 0.227 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 143.6 | 160.5 | 65.1 | 0 | 0 | 0 | 0 | 108 | P1593 Y2087 T2088 | P1593-T2073 VanDerWaalsContact CD-CG2 3.48Å; P1593-T2073 HydrophobicContact CG-CG2 3.97Å; T2073-Y2087 CarbonylContact O-C 3.49Å; T2073-Y2087 WeakPolarHBondContact O-CA 2.95Å; T2073-Y2087 WeakPolarHBondContact O-CB 3.33Å; T2073-T2088 PolarHBondContact N-O 3.4Å; T2073-T2088 PolarHBondContact O-N 2.84Å; T2073-T2088 WeakPolarHBondContact OG1-CB 3.37Å; T2073-T2088 PolarHBondContact OG1-N 3.26Å; T2073-T2088 VanDerWaalsContact OG1-N 3.17Å |
| 2074 | L | 82.6 | Confident | 81 | Confident | 16 Ų | 16 | 40.7 Ų | 40.7 | 8% | 0.084 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 115.5 | -179.1 | -179.7 | 67.5 | 0 | 0 | 0 | 109.7 | V2064 L2066 V2085 M2097 S2129 V2131 | V2064-L2074 HydrophobicContact CG1-CD1 4.33Å; V2064-L2074 HydrophobicContact CG1-CD2 4.37Å; L2066-L2074 HydrophobicContact CB-CD2 4.25Å; L2074-V2085 HydrophobicContact CD1-CG1 3.67Å; L2074-M2097 HydrophobicContact CD1-CE 3.9Å; L2074-S2129 WeakPolarHBondContact CD2-O 3.4Å; L2074-V2131 HydrophobicContact CB-CG2 4.45Å; L2074-V2131 HydrophobicContact CD2-CG2 4.14Å; L2074-V2131 HydrophobicContact CG-CG2 3.89Å; L2074-V2131 WeakPolarHBondContact O-CG2 3.48Å |
| 2075 | N | 75.1 | Confident | 80.9 | Confident | 59 Ų | 59 | 40.5 Ų | 40.5 | 32% | 0.316 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 151.8 | 177.7 | -67.9 | 50 | 0 | 0 | 0 | 109.1 | Y2077 R2086 | N2075-Y2077 HydrophobicContact CB-CE2 3.71Å; N2075-Y2077 WeakPolarHBondContact CB-OH 3.34Å; N2075-Y2077 PolarHBondContact ND2-OH 3.37Å; N2075-R2086 PolarHBondContact N-O 2.78Å; N2075-R2086 PolarHBondContact O-N 3Å; N2075-R2086 VanDerWaalsContact O-O 3.09Å |
| 2076 | A | 79.1 | Confident | 80.7 | Confident | 21 Ų | 21 | 42.2 Ų | 42.2 | 17% | 0.174 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 145.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111 | K2084 V2085 V2131 I2133 | A2076-K2084 CarbonylContact C-O 3.54Å; A2076-K2084 VanDerWaalsContact CA-O 3.29Å; A2076-K2084 WeakPolarHBondContact CA-O 3.45Å; A2076-V2085 HydrophobicContact CB-CG2 4.13Å; A2076-V2131 HydrophobicContact CB-CG1 4.32Å; A2076-I2133 HydrophobicContact CB-CD1 3.55Å |
| 2077 | Y | 76.1 | Confident | 80.5 | Confident | 93 Ų | 93 | 42 Ų | 42 | 37% | 0.365 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 145.6 | -171.8 | -54.3 | -88.2 | 0 | 0 | 0 | 110.3 | N2075 Y2083 K2084 R2086 | N2075-Y2077 HydrophobicContact CB-CE2 3.71Å; N2075-Y2077 WeakPolarHBondContact CB-OH 3.34Å; N2075-Y2077 PolarHBondContact ND2-OH 3.37Å; Y2077-Y2083 CarbonylContact O-C 3.45Å; Y2077-Y2083 VanDerWaalsContact O-CA 3.31Å; Y2077-Y2083 WeakPolarHBondContact O-CA 3.33Å; Y2077-K2084 PolarHBondContact N-O 2.84Å; Y2077-K2084 PolarHBondContact O-N 2.89Å; Y2077-R2086 HydrophobicContact CE2-CB 4.31Å |
| 2078 | D | 74.7 | Confident | 80.4 | Confident | 100 Ų | 100 | 41.5 Ų | 41.5 | 54% | 0.535 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 135.9 | 176.7 | -156.9 | -75.3 | 0 | 0 | 0 | 111.8 | Y2083 K2138 | D2078-Y2083 HydrophobicContact CB-CE1 4.16Å; D2078-Y2083 WeakPolarHBondContact OD2-CE1 3.44Å; D2078-Y2083 PolarHBondContact OD2-OH 2.78Å; D2078-K2138 IonicContact OD1-NZ 3.45Å; D2078-K2138 PolarHBondContact OD1-NZ 3.14Å; D2078-K2138 IonicContact OD2-NZ 3.55Å; D2078-K2138 PolarHBondContact OD2-NZ 2.96Å |
| 2079 | V | 78.5 | Confident | 80.3 | Confident | 39 Ų | 39 | 41.4 Ų | 41.4 | 24% | 0.236 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 159.7 | 170.2 | -64.8 | 0 | 0 | 0 | 0 | 110 | I2051 V2081 G2082 K2084 K2138 | I2051-V2079 HydrophobicContact CG2-CG2 4.2Å; V2079-V2081 HydrophobicContact CG2-CG2 4.07Å; V2079-V2081 PolarHBondContact O-N 2.85Å; V2079-G2082 WeakPolarHBondContact CG2-O 3.5Å; V2079-G2082 PolarHBondContact N-O 2.78Å; V2079-G2082 CarbonylContact O-C 3.57Å; V2079-G2082 PolarHBondContact O-N 3.32Å; V2079-K2084 HydrophobicContact CG1-CB 3.85Å; V2079-K2084 HydrophobicContact CG2-CB 4.45Å; V2079-K2138 PolarHBondContact O-NZ 2.88Å |
| 2080 | D | 75.4 | Confident | 80.5 | Confident | 145 Ų | 145 | 40.8 Ų | 40.8 | 78% | 0.775 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -35 | -173.3 | -49.8 | -31 | 0 | 0 | 0 | 114.4 | ||
| 2081 | V | 76.9 | Confident | 80.6 | Confident | 31 Ų | 31 | 40.8 Ų | 40.8 | 19% | 0.188 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -8.4 | -179.3 | -62.7 | 0 | 0 | 0 | 0 | 114.6 | I2051 N2053 T2054 C2055 V2079 A2140 F2143 | I2051-V2081 HydrophobicContact CG2-CG2 3.7Å; N2053-V2081 WeakPolarHBondContact CA-O 3.25Å; N2053-V2081 PolarHBondContact OD1-O 3.18Å; T2054-V2081 PolarHBondContact N-O 3.39Å; C2055-V2081 PolarHBondContact N-O 3.45Å; C2055-V2081 PolarHBondContact SG-O 3.25Å; V2079-V2081 HydrophobicContact CG2-CG2 4.07Å; V2079-V2081 PolarHBondContact O-N 2.85Å; V2081-A2140 HydrophobicContact CG1-CB 4.31Å; V2081-F2143 HydrophobicContact CG1-CD2 4.19Å; V2081-F2143 HydrophobicContact CG1-CE2 4.08Å |
| 2082 | G | 85.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 151.6 | -122.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V2052 T2054 V2079 K2138 | V2052-G2082 CarbonylContact O-C 3.57Å; V2052-G2082 WeakPolarHBondContact O-CA 3.38Å; T2054-G2082 WeakPolarHBondContact OG1-CA 3.5Å; V2079-G2082 WeakPolarHBondContact CG2-O 3.5Å; V2079-G2082 PolarHBondContact N-O 2.78Å; V2079-G2082 CarbonylContact O-C 3.57Å; V2079-G2082 PolarHBondContact O-N 3.32Å; G2082-K2138 PolarHBondContact O-NZ 2.92Å |
| 2083 | Y | 88.1 | Confident | 81.2 | Confident | 7 Ų | 7 | 38 Ų | 38 | 3% | 0.027 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 119.6 | -172.2 | -64.5 | -83.4 | 0 | 0 | 0 | 111.7 | V2052 T2054 L2062 Y2077 D2078 V2085 I2133 T2135 V2136 K2138 | V2052-Y2083 PolarHBondContact N-O 2.83Å; V2052-Y2083 PolarHBondContact O-N 2.76Å; T2054-Y2083 HydrophobicContact CG2-CD2 4.12Å; T2054-Y2083 HydrophobicContact CG2-CE2 4.48Å; L2062-Y2083 HydrophobicContact CD2-CD2 4.04Å; L2062-Y2083 HydrophobicContact CD2-CG 4.15Å; Y2077-Y2083 CarbonylContact O-C 3.45Å; Y2077-Y2083 VanDerWaalsContact O-CA 3.31Å; Y2077-Y2083 WeakPolarHBondContact O-CA 3.33Å; D2078-Y2083 HydrophobicContact CB-CE1 4.16Å; D2078-Y2083 WeakPolarHBondContact OD2-CE1 3.44Å; D2078-Y2083 PolarHBondContact OD2-OH 2.78Å; Y2083-V2085 PolarHBondContact O-N 2.96Å; Y2083-I2133 HydrophobicContact CD1-CD1 4.09Å; Y2083-I2133 HydrophobicContact CD1-CG2 4.21Å; Y2083-I2133 HydrophobicContact CE1-CG2 3.9Å; Y2083-T2135 HydrophobicContact CD2-CG2 3.73Å; Y2083-T2135 HydrophobicContact CE2-CG2 3.27Å; Y2083-V2136 PolarHBondContact OH-N 3.19Å; Y2083-K2138 WeakPolarHBondContact OH-CE 3.29Å; Y2083-K2138 PolarHBondContact OH-NZ 2.87Å |
| 2084 | K | 88.5 | Confident | 81.8 | Confident | 60 Ų | 60 | 39.7 Ų | 39.7 | 26% | 0.261 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 113.2 | 172.1 | 170 | 168 | -83.2 | -155 | 0 | 109.4 | E2049 F2050 I2051 A2076 Y2077 V2079 | E2049-K2084 WeakPolarHBondContact OE2-CD 3.2Å; E2049-K2084 WeakPolarHBondContact OE2-CE 3.39Å; E2049-K2084 IonicContact OE2-NZ 3.71Å; E2049-K2084 PolarHBondContact OE2-NZ 2.86Å; F2050-K2084 CarbonylContact O-C 3.52Å; F2050-K2084 WeakPolarHBondContact O-CA 3.36Å; I2051-K2084 HydrophobicContact CG1-CB 4.25Å; A2076-K2084 CarbonylContact C-O 3.54Å; A2076-K2084 VanDerWaalsContact CA-O 3.29Å; A2076-K2084 WeakPolarHBondContact CA-O 3.45Å; Y2077-K2084 PolarHBondContact N-O 2.84Å; Y2077-K2084 PolarHBondContact O-N 2.89Å; V2079-K2084 HydrophobicContact CG1-CB 3.85Å; V2079-K2084 HydrophobicContact CG2-CB 4.45Å |
| 2085 | V | 89.2 | Confident | 82.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 136.4 | 169.7 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | E2049 F2050 V2052 V2064 L2074 A2076 Y2083 M2097 | E2049-V2085 WeakPolarHBondContact CA-O 3.42Å; F2050-V2085 HydrophobicContact CD1-CB 4.24Å; F2050-V2085 HydrophobicContact CD1-CG1 4.47Å; F2050-V2085 HydrophobicContact CD2-CB 4.07Å; F2050-V2085 HydrophobicContact CD2-CG2 4.22Å; F2050-V2085 HydrophobicContact CE1-CB 3.86Å; F2050-V2085 HydrophobicContact CE1-CG1 3.73Å; F2050-V2085 HydrophobicContact CE2-CB 3.65Å; F2050-V2085 HydrophobicContact CE2-CG1 4.21Å; F2050-V2085 HydrophobicContact CE2-CG2 3.56Å; F2050-V2085 HydrophobicContact CG-CB 4.34Å; F2050-V2085 HydrophobicContact CZ-CB 3.54Å; F2050-V2085 HydrophobicContact CZ-CG1 3.57Å; F2050-V2085 HydrophobicContact CZ-CG2 3.76Å; F2050-V2085 PolarHBondContact N-O 2.83Å; F2050-V2085 PolarHBondContact O-N 3.5Å; F2050-V2085 VanDerWaalsContact O-O 3.13Å; V2052-V2085 HydrophobicContact CG2-CG2 3.91Å; V2064-V2085 HydrophobicContact CG1-CG1 4.14Å; V2064-V2085 HydrophobicContact CG1-CG2 4.25Å; V2064-V2085 HydrophobicContact CG2-CG2 4.23Å; L2074-V2085 HydrophobicContact CD1-CG1 3.67Å; A2076-V2085 HydrophobicContact CB-CG2 4.13Å; Y2083-V2085 PolarHBondContact O-N 2.96Å; V2085-M2097 HydrophobicContact CG1-CE 4.32Å |
| 2086 | R | 85.8 | Confident | 82.8 | Confident | 76 Ų | 76 | 38.8 Ų | 38.8 | 29% | 0.287 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 137.4 | 167.3 | -179.4 | -174.2 | -70.1 | 130.8 | 3 | 109.4 | K2047 C2048 E2049 N2075 Y2077 | K2047-R2086 HydrophobicContact CB-CG 4.16Å; C2048-R2086 VanDerWaalsContact O-CA 3.3Å; C2048-R2086 WeakPolarHBondContact O-CA 3.3Å; E2049-R2086 HydrophobicContact CG-CB 4.09Å; E2049-R2086 HydrophobicContact CG-CG 3.96Å; E2049-R2086 IonicContact OE1-CZ 3.56Å; E2049-R2086 IonicContact OE1-NE 3.72Å; E2049-R2086 PolarHBondContact OE1-NE 2.9Å; E2049-R2086 IonicContact OE1-NH2 3.72Å; E2049-R2086 PolarHBondContact OE1-NH2 2.92Å; E2049-R2086 IonicContact OE2-NH2 2.67Å; N2075-R2086 PolarHBondContact N-O 2.78Å; N2075-R2086 PolarHBondContact O-N 3Å; N2075-R2086 VanDerWaalsContact O-O 3.09Å; Y2077-R2086 HydrophobicContact CE2-CB 4.31Å |
| 2087 | Y | 87.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 159.9 | 167.9 | 70.4 | -86.7 | 0 | 0 | 0 | 111.6 | G2038 C2048 F2050 L2066 A2072 T2073 P2089 M2097 I2113 | G2038-Y2087 VanDerWaalsContact O-CE1 3.29Å; G2038-Y2087 WeakPolarHBondContact O-CE1 3.48Å; G2038-Y2087 PolarHBondContact O-OH 3.4Å; C2048-Y2087 HydrophobicContact CB-CD1 3.95Å; C2048-Y2087 HydrophobicContact CB-CD2 4.16Å; C2048-Y2087 HydrophobicContact CB-CE1 3.39Å; C2048-Y2087 HydrophobicContact CB-CE2 3.64Å; C2048-Y2087 HydrophobicContact CB-CG 4.28Å; C2048-Y2087 VanDerWaalsContact CB-OH 3.3Å; C2048-Y2087 WeakPolarHBondContact CB-OH 3.5Å; C2048-Y2087 PolarHBondContact N-O 2.96Å; C2048-Y2087 PolarHBondContact O-N 2.93Å; F2050-Y2087 HydrophobicContact CD1-CE1 4.45Å; F2050-Y2087 HydrophobicContact CE1-CD1 4.33Å; F2050-Y2087 HydrophobicContact CE1-CE1 4.22Å; L2066-Y2087 HydrophobicContact CD2-CD1 4.16Å; L2066-Y2087 HydrophobicContact CD2-CD2 3.35Å; L2066-Y2087 HydrophobicContact CD2-CE2 3.96Å; L2066-Y2087 HydrophobicContact CD2-CG 3.49Å; L2066-Y2087 VanDerWaalsContact CD2-CG 3.49Å; A2072-Y2087 HydrophobicContact CB-CD2 4.37Å; T2073-Y2087 CarbonylContact O-C 3.49Å; T2073-Y2087 WeakPolarHBondContact O-CA 2.95Å; T2073-Y2087 WeakPolarHBondContact O-CB 3.33Å; Y2087-P2089 HydrophobicContact CD2-CG 4.41Å; Y2087-P2089 HydrophobicContact CE2-CG 4.08Å; Y2087-M2097 HydrophobicContact CD1-CE 3.87Å; Y2087-M2097 HydrophobicContact CE1-CE 4.24Å; Y2087-M2097 HydrophobicContact CG-CE 4.48Å; Y2087-I2113 HydrophobicContact CE1-CD1 4.36Å; Y2087-I2113 WeakPolarHBondContact OH-CG2 3.49Å |
| 2088 | T | 84.5 | Confident | 84.2 | Confident | 18 Ų | 18 | 34 Ų | 34 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 110.8 | 171.2 | -58.5 | 0 | 0 | 0 | 0 | 109.1 | A2072 T2073 | A2072-T2088 WeakPolarHBondContact CA-O 3.44Å; A2072-T2088 WeakPolarHBondContact CB-O 3.46Å; T2073-T2088 PolarHBondContact N-O 3.4Å; T2073-T2088 PolarHBondContact O-N 2.84Å; T2073-T2088 WeakPolarHBondContact OG1-CB 3.37Å; T2073-T2088 PolarHBondContact OG1-N 3.26Å; T2073-T2088 VanDerWaalsContact OG1-N 3.17Å |
| 2089 | P | 83.3 | Confident | 85 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -81.6 | 151.9 | 175.5 | 34.6 | -32.9 | 0 | 0 | 0 | 111 | T2044 G2045 Y2087 Y2095 V2115 | T2044-P2089 CarbonylContact C-O 3.44Å; T2044-P2089 WeakPolarHBondContact CA-O 3.39Å; G2045-P2089 PolarHBondContact N-O 3Å; Y2087-P2089 HydrophobicContact CD2-CG 4.41Å; Y2087-P2089 HydrophobicContact CE2-CG 4.08Å; P2089-Y2095 HydrophobicContact CB-CE1 4.03Å; P2089-Y2095 HydrophobicContact CB-CE2 4.05Å; P2089-V2115 HydrophobicContact CB-CG1 3.92Å; P2089-V2115 HydrophobicContact CB-CG2 4.13Å; P2089-V2115 HydrophobicContact CG-CB 4.36Å; P2089-V2115 HydrophobicContact CG-CG1 3.53Å; P2089-V2115 HydrophobicContact CG-CG2 3.85Å | ||
| 2090 | L | 80.8 | Confident | 85.5 | Confident | 19 Ų | 19 | 28.2 Ų | 28.2 | 10% | 0.099 | 15% | 0.15 | C | C | . | . | trans | -115.5 | -24 | -177.3 | -61.7 | 178.9 | 0 | 0 | 0 | 114 | S2070 L2120 G2121 | S2070-L2090 PolarHBondContact OG-N 3.46Å; L2090-L2120 HydrophobicContact CD2-CB 4.45Å; L2090-L2120 PolarHBondContact O-N 2.88Å; L2090-G2121 CarbonylContact C-O 3.57Å; L2090-G2121 VanDerWaalsContact C-O 3.29Å; L2090-G2121 WeakPolarHBondContact CB-O 3.47Å; L2090-G2121 PolarHBondContact O-N 2.78Å | ||
| 2091 | A | 76.6 | Confident | 85.8 | Confident | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.008 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -108.4 | 145 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T2044 P2069 S2070 Y2095 H2119 G2121 | T2044-A2091 VanDerWaalsContact CG2-C 3.4Å; P2069-A2091 HydrophobicContact CB-CB 3.99Å; S2070-A2091 PolarHBondContact OG-N 3.17Å; A2091-Y2095 WeakPolarHBondContact O-CE2 3.39Å; A2091-Y2095 PolarHBondContact O-OH 2.89Å; A2091-H2119 VanDerWaalsContact CB-CE1 3.4Å; A2091-H2119 WeakPolarHBondContact CB-CE1 3.44Å; A2091-H2119 WeakPolarHBondContact CB-ND1 3.4Å; A2091-G2121 PolarHBondContact N-O 3.21Å |
| 2092 | P | 80.8 | Confident | 85.7 | Confident | 47 Ų | 47 | 20 Ų | 20 | 31% | 0.305 | 11% | 0.105 | S | C | . | . | trans | -75.1 | 157.8 | 171.3 | 33.6 | -34.3 | 0 | 0 | 0 | 111.1 | T2044 V2115 | T2044-P2092 HydrophobicContact CG2-CB 4.17Å; P2092-V2115 CarbonylContact C-O 3.58Å; P2092-V2115 WeakPolarHBondContact CA-O 3.36Å | ||
| 2093 | G | 82.1 | Confident | 85.1 | Confident | 29 Ų | 29 | 21.4 Ų | 21.4 | 30% | 0.299 | 12% | 0.119 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.7 | -170.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y2095 V2115 | G2093-Y2095 WeakPolarHBondContact O-CD2 3.27Å; G2093-V2115 PolarHBondContact N-O 3.36Å; G2093-V2115 PolarHBondContact O-N 3.03Å |
| 2094 | D | 85.9 | Confident | 84.7 | Confident | 72 Ų | 72 | 21.9 Ų | 21.9 | 39% | 0.385 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 124.9 | 179.9 | -70.3 | -28.5 | 0 | 0 | 0 | 111.1 | P2069 F2096 K2112 | P2069-D2094 WeakPolarHBondContact CD-O 3.46Å; D2094-F2096 HydrophobicContact CB-CE2 4.31Å; D2094-F2096 HydrophobicContact CB-CZ 4.32Å; D2094-K2112 WeakPolarHBondContact OD1-CE 3.43Å; D2094-K2112 IonicContact OD1-NZ 2.83Å; D2094-K2112 PolarHBondContact OD1-NZ 2.84Å; D2094-K2112 WeakPolarHBondContact OD2-CE 3.49Å; D2094-K2112 IonicContact OD2-NZ 2.61Å; D2094-K2112 PolarHBondContact OD2-NZ 2.82Å |
| 2095 | Y | 88.5 | Confident | 84.6 | Confident | 1 Ų | 1 | 20.2 Ų | 20.2 | 0% | 0.004 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 155.4 | 171.4 | -70.4 | -108 | 0 | 0 | 0 | 110.3 | L2066 D2067 S2070 P2089 A2091 G2093 K2112 I2113 V2115 | L2066-Y2095 HydrophobicContact CD1-CD1 4.15Å; L2066-Y2095 HydrophobicContact CD1-CG 4.45Å; L2066-Y2095 HydrophobicContact CG-CD1 4.18Å; D2067-Y2095 CarbonylContact O-C 3.58Å; D2067-Y2095 VanDerWaalsContact O-CA 3.24Å; D2067-Y2095 WeakPolarHBondContact O-CA 3.26Å; S2070-Y2095 PolarHBondContact N-OH 3.32Å; S2070-Y2095 WeakPolarHBondContact O-CE1 3.32Å; S2070-Y2095 PolarHBondContact OG-OH 2.83Å; P2089-Y2095 HydrophobicContact CB-CE1 4.03Å; P2089-Y2095 HydrophobicContact CB-CE2 4.05Å; A2091-Y2095 WeakPolarHBondContact O-CE2 3.39Å; A2091-Y2095 PolarHBondContact O-OH 2.89Å; G2093-Y2095 WeakPolarHBondContact O-CD2 3.27Å; Y2095-K2112 CarbonylContact O-C 3.54Å; Y2095-K2112 WeakPolarHBondContact O-CA 3.26Å; Y2095-I2113 PolarHBondContact N-O 2.84Å; Y2095-I2113 PolarHBondContact O-N 3.31Å; Y2095-V2115 HydrophobicContact CD2-CB 3.78Å; Y2095-V2115 HydrophobicContact CD2-CG2 3.36Å; Y2095-V2115 HydrophobicContact CE2-CB 3.66Å; Y2095-V2115 HydrophobicContact CE2-CG1 4.19Å; Y2095-V2115 HydrophobicContact CE2-CG2 3.62Å; Y2095-V2115 HydrophobicContact CG-CG2 4.19Å |
| 2096 | F | 90.4 | Very high | 84.5 | Confident | 56 Ų | 56 | 20.3 Ų | 20.3 | 25% | 0.246 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 118.4 | 178.4 | -60.6 | -82.1 | 0 | 0 | 0 | 109.9 | H1838 L2066 D2067 D2094 F2111 K2112 | H1838-F2096 HydrophobicContact CB-CD1 3.64Å; H1838-F2096 HydrophobicContact CB-CE1 3.58Å; H1838-F2096 AromaticContact CG-CD1 3.94Å; H1838-F2096 AromaticContact CG-CE1 3.62Å; H1838-F2096 AromaticContact ND1-CE1 3.84Å; L2066-F2096 WeakPolarHBondContact CA-O 3.39Å; D2067-F2096 PolarHBondContact N-O 3.16Å; D2067-F2096 PolarHBondContact O-N 3.34Å; D2094-F2096 HydrophobicContact CB-CE2 4.31Å; D2094-F2096 HydrophobicContact CB-CZ 4.32Å; F2096-F2111 WeakPolarHBondContact CA-O 3.29Å; F2096-K2112 HydrophobicContact CD1-CB 4.07Å; F2096-K2112 HydrophobicContact CD1-CG 4.31Å; F2096-K2112 HydrophobicContact CE1-CB 3.83Å; F2096-K2112 HydrophobicContact CE1-CD 4.12Å; F2096-K2112 HydrophobicContact CE1-CG 3.74Å; F2096-K2112 HydrophobicContact CZ-CD 4.47Å; F2096-K2112 HydrophobicContact CZ-CG 4.3Å |
| 2097 | M | 92.7 | Very high | 84.3 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 98.6 | 179.4 | -176.9 | 63.1 | 85.3 | 0 | 0 | 109.9 | L2039 F2050 V2064 Q2065 L2066 L2074 V2085 Y2087 I2099 P2110 F2111 I2113 | L2039-M2097 HydrophobicContact CD2-CB 4.21Å; L2039-M2097 HydrophobicContact CD2-CG 4.05Å; F2050-M2097 HydrophobicContact CE1-CE 3.64Å; F2050-M2097 HydrophobicContact CE1-CG 4.21Å; F2050-M2097 HydrophobicContact CZ-CE 3.79Å; F2050-M2097 HydrophobicContact CZ-CG 3.8Å; F2050-M2097 HydrophobicContact CZ-SD 4.12Å; V2064-M2097 HydrophobicContact CG1-CE 4.27Å; V2064-M2097 HydrophobicContact CG1-SD 3.45Å; V2064-M2097 WeakPolarHBondContact CG1-SD 3.46Å; Q2065-M2097 CarbonylContact O-C 3.56Å; Q2065-M2097 WeakPolarHBondContact O-CA 3.35Å; Q2065-M2097 VanDerWaalsContact O-SD 3.33Å; L2066-M2097 HydrophobicContact CB-CE 3.83Å; L2066-M2097 HydrophobicContact CB-SD 3.98Å; L2066-M2097 HydrophobicContact CD1-CB 4.17Å; L2066-M2097 HydrophobicContact CD1-CE 3.86Å; L2066-M2097 HydrophobicContact CD1-SD 4.3Å; L2066-M2097 HydrophobicContact CD2-CE 3.93Å; L2066-M2097 HydrophobicContact CG-CE 4.09Å; L2074-M2097 HydrophobicContact CD1-CE 3.9Å; V2085-M2097 HydrophobicContact CG1-CE 4.32Å; Y2087-M2097 HydrophobicContact CD1-CE 3.87Å; Y2087-M2097 HydrophobicContact CE1-CE 4.24Å; Y2087-M2097 HydrophobicContact CG-CE 4.48Å; M2097-I2099 HydrophobicContact CG-CD1 4.07Å; M2097-I2099 HydrophobicContact CG-CG1 3.98Å; M2097-P2110 WeakPolarHBondContact O-CA 3.47Å; M2097-F2111 HydrophobicContact CB-CB 4.41Å; M2097-F2111 PolarHBondContact N-O 2.94Å; M2097-F2111 WeakPolarHBondContact O-CD2 3.44Å; M2097-F2111 PolarHBondContact O-N 3.43Å; M2097-I2113 HydrophobicContact CB-CD1 3.72Å |
| 2098 | T | 91.9 | Very high | 84.1 | Confident | 12 Ų | 12 | 18.2 Ų | 18.2 | 7% | 0.074 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 124.2 | 172.9 | -59.2 | 0 | 0 | 0 | 0 | 109.9 | V2064 Q2065 K2100 | V2064-T2098 WeakPolarHBondContact CA-O 3.17Å; Q2065-T2098 PolarHBondContact N-O 2.98Å; Q2065-T2098 PolarHBondContact O-N 2.85Å; T2098-K2100 HydrophobicContact CG2-CD 4.48Å; T2098-K2100 HydrophobicContact CG2-CG 4.08Å |
| 2099 | I | 92 | Very high | 84.3 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 124.1 | 176.3 | -54.3 | 175 | 0 | 0 | 0 | 109.3 | V2034 F2050 V2052 L2062 Q2063 V2064 M2097 I2106 S2109 F2111 | V2034-I2099 HydrophobicContact CG1-CD1 4.02Å; F2050-I2099 HydrophobicContact CE2-CD1 3.66Å; F2050-I2099 HydrophobicContact CZ-CD1 3.96Å; V2052-I2099 HydrophobicContact CG2-CD1 4.36Å; L2062-I2099 HydrophobicContact CD1-CG2 3.91Å; Q2063-I2099 WeakPolarHBondContact O-CA 3.42Å; V2064-I2099 HydrophobicContact CG1-CG1 4.45Å; V2064-I2099 HydrophobicContact CG2-CG2 4.43Å; M2097-I2099 HydrophobicContact CG-CD1 4.07Å; M2097-I2099 HydrophobicContact CG-CG1 3.98Å; I2099-I2106 HydrophobicContact CB-CD1 3.82Å; I2099-I2106 HydrophobicContact CB-CG1 3.91Å; I2099-I2106 HydrophobicContact CD1-CD1 4.28Å; I2099-I2106 HydrophobicContact CG2-CD1 3.57Å; I2099-I2106 HydrophobicContact CG2-CG1 3.93Å; I2099-I2106 HydrophobicContact CG2-CG2 4.3Å; I2099-I2106 PolarHBondContact O-N 3.34Å; I2099-S2109 PolarHBondContact N-OG 2.75Å; I2099-S2109 WeakPolarHBondContact O-CB 3.35Å; I2099-S2109 PolarHBondContact O-OG 3.22Å; I2099-F2111 HydrophobicContact CD1-CD2 4.17Å; I2099-F2111 HydrophobicContact CD1-CE2 4.02Å; I2099-F2111 HydrophobicContact CG1-CE2 4.5Å |
| 2100 | K | 88.5 | Confident | 84.6 | Confident | 19 Ų | 19 | 17.7 Ų | 17.7 | 8% | 0.083 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 150.4 | 178.8 | -46 | -166 | -164.6 | -154.6 | 0 | 110.9 | D1917 Q2063 T2098 I2104 H2105 | D1917-K2100 IonicContact OD1-NZ 2.73Å; D1917-K2100 PolarHBondContact OD1-NZ 3.28Å; D1917-K2100 IonicContact OD2-NZ 3.6Å; D1917-K2100 PolarHBondContact OD2-NZ 2.91Å; Q2063-K2100 HydrophobicContact CB-CB 4.33Å; Q2063-K2100 PolarHBondContact N-O 3.32Å; Q2063-K2100 PolarHBondContact O-N 3.17Å; T2098-K2100 HydrophobicContact CG2-CD 4.48Å; T2098-K2100 HydrophobicContact CG2-CG 4.08Å; K2100-I2104 CarbonylContact C-O 3.38Å; K2100-I2104 WeakPolarHBondContact CA-O 3.48Å; K2100-I2104 WeakPolarHBondContact CB-O 3.38Å; K2100-H2105 WeakPolarHBondContact CE-NE2 3.43Å; K2100-H2105 PolarHBondContact NZ-NE2 2.92Å |
| 2101 | Y | 83 | Confident | 85 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 124.7 | 174.3 | -162.6 | -111.6 | 0 | 0 | 0 | 110.4 | V2027 I2032 V2057 G2058 G2060 N2061 L2062 G2103 I2104 T2135 | V2027-Y2101 HydrophobicContact CG1-CD1 3.92Å; V2027-Y2101 HydrophobicContact CG1-CE1 3.45Å; V2027-Y2101 VanDerWaalsContact CG1-CE1 3.45Å; I2032-Y2101 HydrophobicContact CD1-CD1 3.5Å; I2032-Y2101 VanDerWaalsContact CD1-CD1 3.5Å; I2032-Y2101 HydrophobicContact CD1-CD2 3.49Å; I2032-Y2101 VanDerWaalsContact CD1-CD2 3.49Å; I2032-Y2101 HydrophobicContact CD1-CE1 4.03Å; I2032-Y2101 HydrophobicContact CD1-CE2 4.05Å; I2032-Y2101 HydrophobicContact CD1-CG 3.18Å; V2057-Y2101 HydrophobicContact CG1-CD1 4.18Å; V2057-Y2101 HydrophobicContact CG1-CE1 3.7Å; G2058-Y2101 PolarHBondContact O-OH 3.16Å; G2058-Y2101 VanDerWaalsContact O-OH 3.07Å; G2060-Y2101 WeakPolarHBondContact CA-OH 3.34Å; G2060-Y2101 PolarHBondContact N-OH 2.88Å; G2060-Y2101 VanDerWaalsContact N-OH 3.09Å; N2061-Y2101 CarbonylContact O-C 3.21Å; N2061-Y2101 WeakPolarHBondContact O-CA 3.34Å; L2062-Y2101 HydrophobicContact CB-CD2 3.92Å; L2062-Y2101 HydrophobicContact CB-CE2 4.11Å; L2062-Y2101 HydrophobicContact CD1-CD2 4.16Å; Y2101-G2103 PolarHBondContact O-N 3.29Å; Y2101-G2103 VanDerWaalsContact O-N 3.13Å; Y2101-I2104 PolarHBondContact N-O 3.36Å; Y2101-I2104 PolarHBondContact O-N 3.3Å; Y2101-T2135 HydrophobicContact CE2-CG2 4.07Å; Y2101-T2135 WeakPolarHBondContact CE2-OG1 3.37Å; Y2101-T2135 PolarHBondContact OH-OG1 2.94Å |
| 2102 | N | 73.1 | Confident | 85.6 | Confident | 4 Ų | 4 | 20.8 Ų | 20.8 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 33.5 | -166.4 | -60 | -62.3 | 0 | 0 | 0 | 113.1 | N2000 R2020 V2027 N2061 | N2000-N2102 PolarHBondContact ND2-O 2.81Å; R2020-N2102 PolarHBondContact NH2-ND2 2.95Å; R2020-N2102 VanDerWaalsContact NH2-ND2 3.15Å; V2027-N2102 WeakPolarHBondContact CG1-ND2 3.42Å; N2061-N2102 PolarHBondContact N-OD1 2.94Å; N2061-N2102 PolarHBondContact O-N 2.9Å |
| 2103 | G | 73.5 | Confident | 86 | Confident | 28 Ų | 28 | 18.5 Ų | 18.5 | 29% | 0.289 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | -6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y2101 | Y2101-G2103 PolarHBondContact O-N 3.29Å; Y2101-G2103 VanDerWaalsContact O-N 3.13Å |
| 2104 | I | 79.3 | Confident | 86.1 | Confident | 18 Ų | 18 | 19.5 Ų | 19.5 | 9% | 0.092 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 138.8 | 177.5 | -57.5 | 162.2 | 0 | 0 | 0 | 109.2 | H1819 S1823 P2029 K2100 Y2101 | H1819-I2104 HydrophobicContact CB-CD1 4.17Å; S1823-I2104 WeakPolarHBondContact O-CG2 3.19Å; P2029-I2104 HydrophobicContact CB-CB 4.49Å; P2029-I2104 HydrophobicContact CB-CG2 4.31Å; P2029-I2104 HydrophobicContact CG-CB 3.79Å; P2029-I2104 HydrophobicContact CG-CD1 3.89Å; P2029-I2104 HydrophobicContact CG-CG1 4.46Å; P2029-I2104 HydrophobicContact CG-CG2 3.81Å; K2100-I2104 CarbonylContact C-O 3.38Å; K2100-I2104 WeakPolarHBondContact CA-O 3.48Å; K2100-I2104 WeakPolarHBondContact CB-O 3.38Å; Y2101-I2104 PolarHBondContact N-O 3.36Å; Y2101-I2104 PolarHBondContact O-N 3.3Å |
| 2105 | H | 86.2 | Confident | 86.1 | Confident | 24 Ų | 24 | 16.3 Ų | 16.3 | 11% | 0.111 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 139.4 | 175.6 | -81.2 | -129.1 | 0 | 0 | 0 | 111.2 | P1824 D1917 K2100 S2109 | P1824-H2105 VanDerWaalsContact CD-O 3.29Å; P1824-H2105 WeakPolarHBondContact CD-O 3.22Å; P1824-H2105 WeakPolarHBondContact CG-O 3.46Å; D1917-H2105 IonicContact OD2-NE2 2.73Å; K2100-H2105 WeakPolarHBondContact CE-NE2 3.43Å; K2100-H2105 PolarHBondContact NZ-NE2 2.92Å; H2105-S2109 PolarHBondContact ND1-O 2.91Å; H2105-S2109 PolarHBondContact ND1-OG 3.35Å |
| 2106 | I | 88.4 | Confident | 85.9 | Confident | 3 Ų | 3 | 20.4 Ų | 20.4 | 2% | 0.015 | 12% | 0.121 | C | C | . | . | P | Polyproline II helix | trans | -78.6 | 158.1 | 166.5 | 72.1 | 165.5 | 0 | 0 | 0 | 109.8 | I2032 V2034 I2099 G2108 S2109 F2111 | I2032-I2106 HydrophobicContact CB-CB 4.39Å; I2032-I2106 HydrophobicContact CB-CG2 3.89Å; I2032-I2106 HydrophobicContact CD1-CG2 4.14Å; I2032-I2106 HydrophobicContact CG2-CB 4.34Å; I2032-I2106 HydrophobicContact CG2-CD1 3.92Å; I2032-I2106 HydrophobicContact CG2-CG2 3.84Å; V2034-I2106 HydrophobicContact CG1-CD1 3.49Å; V2034-I2106 VanDerWaalsContact CG1-CD1 3.49Å; V2034-I2106 HydrophobicContact CG2-CD1 4.41Å; I2099-I2106 HydrophobicContact CB-CD1 3.82Å; I2099-I2106 HydrophobicContact CB-CG1 3.91Å; I2099-I2106 HydrophobicContact CD1-CD1 4.28Å; I2099-I2106 HydrophobicContact CG2-CD1 3.57Å; I2099-I2106 HydrophobicContact CG2-CG1 3.93Å; I2099-I2106 HydrophobicContact CG2-CG2 4.3Å; I2099-I2106 PolarHBondContact O-N 3.34Å; I2106-G2108 PolarHBondContact O-N 2.93Å; I2106-G2108 VanDerWaalsContact O-N 3.14Å; I2106-S2109 WeakPolarHBondContact O-CB 3.34Å; I2106-S2109 PolarHBondContact O-N 3Å; I2106-F2111 HydrophobicContact CD1-CE2 4.16Å; I2106-F2111 HydrophobicContact CD1-CZ 4.37Å; I2106-F2111 HydrophobicContact CG1-CE2 4.3Å |
| 2107 | P | 81.6 | Confident | 85.3 | Confident | 27 Ų | 27 | 19.8 Ų | 19.8 | 18% | 0.175 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 120.8 | -180 | -24.6 | 34.8 | 0 | 0 | 0 | 112.2 | T1810 I2030 F2111 | T1810-P2107 HydrophobicContact CG2-CB 4.09Å; T1810-P2107 HydrophobicContact CG2-CG 3.96Å; I2030-P2107 HydrophobicContact CB-CG 4.39Å; I2030-P2107 HydrophobicContact CG2-CG 4.08Å; P2107-F2111 WeakPolarHBondContact O-CZ 3.35Å |
| 2108 | G | 81.8 | Confident | 84.2 | Confident | 5 Ų | 5 | 29.4 Ų | 29.4 | 5% | 0.052 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.7 | -8.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q1826 I2106 P2110 F2111 | Q1826-G2108 VanDerWaalsContact CD-CA 3.46Å; Q1826-G2108 VanDerWaalsContact NE2-CA 3.27Å; I2106-G2108 PolarHBondContact O-N 2.93Å; I2106-G2108 VanDerWaalsContact O-N 3.14Å; G2108-P2110 CarbonylContact O-C 3.58Å; G2108-F2111 VanDerWaalsContact C-CZ 3.43Å |
| 2109 | S | 89.7 | Confident | 83.2 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -74.3 | 131 | 173.4 | 170.5 | 0 | 0 | 0 | 0 | 111.9 | H1841 I2099 H2105 I2106 | H1841-S2109 PolarHBondContact NE2-O 2.86Å; I2099-S2109 PolarHBondContact N-OG 2.75Å; I2099-S2109 WeakPolarHBondContact O-CB 3.35Å; I2099-S2109 PolarHBondContact O-OG 3.22Å; H2105-S2109 PolarHBondContact ND1-O 2.91Å; H2105-S2109 PolarHBondContact ND1-OG 3.35Å; I2106-S2109 WeakPolarHBondContact O-CB 3.34Å; I2106-S2109 PolarHBondContact O-N 3Å |
| 2110 | P | 90 | Very high | 81.8 | Confident | 5 Ų | 5 | 37.8 Ų | 37.8 | 3% | 0.032 | 21% | 0.207 | C | C | . | . | S | Bend | cis | -84 | 142.1 | 1.4 | 32 | -34.5 | 0 | 0 | 0 | 113.7 | H1838 P1916 M2097 G2108 | H1838-P2110 HydrophobicContact CB-CG 4.19Å; P1916-P2110 HydrophobicContact CB-CG 4.21Å; P1916-P2110 HydrophobicContact CG-CG 3.59Å; M2097-P2110 WeakPolarHBondContact O-CA 3.47Å; G2108-P2110 CarbonylContact O-C 3.58Å |
| 2111 | F | 89 | Confident | 80.3 | Confident | 37 Ų | 37 | 37.8 Ų | 37.8 | 16% | 0.162 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 122.8 | 176.6 | -57.9 | -89.3 | 0 | 0 | 0 | 110 | V2034 L2039 F2096 M2097 I2099 I2106 P2107 G2108 | V2034-F2111 HydrophobicContact CG2-CE1 3.8Å; V2034-F2111 HydrophobicContact CG2-CE2 3.93Å; V2034-F2111 HydrophobicContact CG2-CZ 3.39Å; L2039-F2111 HydrophobicContact CD2-CB 4.06Å; L2039-F2111 HydrophobicContact CD2-CD2 4.35Å; L2039-F2111 HydrophobicContact CD2-CG 4.21Å; F2096-F2111 WeakPolarHBondContact CA-O 3.29Å; M2097-F2111 HydrophobicContact CB-CB 4.41Å; M2097-F2111 PolarHBondContact N-O 2.94Å; M2097-F2111 WeakPolarHBondContact O-CD2 3.44Å; M2097-F2111 PolarHBondContact O-N 3.43Å; I2099-F2111 HydrophobicContact CD1-CD2 4.17Å; I2099-F2111 HydrophobicContact CD1-CE2 4.02Å; I2099-F2111 HydrophobicContact CG1-CE2 4.5Å; I2106-F2111 HydrophobicContact CD1-CE2 4.16Å; I2106-F2111 HydrophobicContact CD1-CZ 4.37Å; I2106-F2111 HydrophobicContact CG1-CE2 4.3Å; P2107-F2111 WeakPolarHBondContact O-CZ 3.35Å; G2108-F2111 VanDerWaalsContact C-CZ 3.43Å |
| 2112 | K | 88.6 | Confident | 78.5 | Confident | 48 Ų | 48 | 39.4 Ų | 39.4 | 21% | 0.209 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 135 | 169.8 | -177.6 | 180 | 175.5 | 176 | 0 | 110.1 | E1834 D2094 Y2095 F2096 | E1834-K2112 IonicContact OE1-NZ 2.69Å; E1834-K2112 PolarHBondContact OE1-NZ 2.78Å; E1834-K2112 IonicContact OE2-NZ 2.75Å; D2094-K2112 WeakPolarHBondContact OD1-CE 3.43Å; D2094-K2112 IonicContact OD1-NZ 2.83Å; D2094-K2112 PolarHBondContact OD1-NZ 2.84Å; D2094-K2112 WeakPolarHBondContact OD2-CE 3.49Å; D2094-K2112 IonicContact OD2-NZ 2.61Å; D2094-K2112 PolarHBondContact OD2-NZ 2.82Å; Y2095-K2112 CarbonylContact O-C 3.54Å; Y2095-K2112 WeakPolarHBondContact O-CA 3.26Å; F2096-K2112 HydrophobicContact CD1-CB 4.07Å; F2096-K2112 HydrophobicContact CD1-CG 4.31Å; F2096-K2112 HydrophobicContact CE1-CB 3.83Å; F2096-K2112 HydrophobicContact CE1-CD 4.12Å; F2096-K2112 HydrophobicContact CE1-CG 3.74Å; F2096-K2112 HydrophobicContact CZ-CD 4.47Å; F2096-K2112 HydrophobicContact CZ-CG 4.3Å |
| 2113 | I | 89.7 | Confident | 77.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 116.6 | -179.8 | -48.4 | 166.8 | 0 | 0 | 0 | 109.6 | G2038 L2039 L2066 Y2087 Y2095 M2097 | G2038-I2113 WeakPolarHBondContact O-CD1 3.36Å; L2039-I2113 HydrophobicContact CD2-CD1 4.13Å; L2066-I2113 HydrophobicContact CD1-CD1 4.4Å; Y2087-I2113 HydrophobicContact CE1-CD1 4.36Å; Y2087-I2113 WeakPolarHBondContact OH-CG2 3.49Å; Y2095-I2113 PolarHBondContact N-O 2.84Å; Y2095-I2113 PolarHBondContact O-N 3.31Å; M2097-I2113 HydrophobicContact CB-CD1 3.72Å |
| 2114 | A | 85.2 | Confident | 76.6 | Confident | 50 Ų | 50 | 43.2 Ų | 43.2 | 41% | 0.413 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 118.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | G2041 G2042 | G2041-A2114 CarbonylContact C-O 3.53Å; G2041-A2114 WeakPolarHBondContact CA-O 3.34Å; G2042-A2114 PolarHBondContact N-O 3.26Å |
| 2115 | V | 85.7 | Confident | 75.3 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.03 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 130.2 | 175.2 | 177.1 | 0 | 0 | 0 | 0 | 110.1 | G2042 T2044 P2089 P2092 G2093 Y2095 | G2042-V2115 WeakPolarHBondContact O-CA 3.24Å; T2044-V2115 HydrophobicContact CG2-CG1 4.02Å; P2089-V2115 HydrophobicContact CB-CG1 3.92Å; P2089-V2115 HydrophobicContact CB-CG2 4.13Å; P2089-V2115 HydrophobicContact CG-CB 4.36Å; P2089-V2115 HydrophobicContact CG-CG1 3.53Å; P2089-V2115 HydrophobicContact CG-CG2 3.85Å; P2092-V2115 CarbonylContact C-O 3.58Å; P2092-V2115 WeakPolarHBondContact CA-O 3.36Å; G2093-V2115 PolarHBondContact N-O 3.36Å; G2093-V2115 PolarHBondContact O-N 3.03Å; Y2095-V2115 HydrophobicContact CD2-CB 3.78Å; Y2095-V2115 HydrophobicContact CD2-CG2 3.36Å; Y2095-V2115 HydrophobicContact CE2-CB 3.66Å; Y2095-V2115 HydrophobicContact CE2-CG1 4.19Å; Y2095-V2115 HydrophobicContact CE2-CG2 3.62Å; Y2095-V2115 HydrophobicContact CG-CG2 4.19Å |
| 2116 | T | 83.6 | Confident | 74.3 | Confident | 86 Ų | 86 | 50.8 Ų | 50.8 | 53% | 0.528 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 176 | -178 | 62.9 | 0 | 0 | 0 | 0 | 111.6 | G2042 E2043 T2044 | G2042-T2116 PolarHBondContact O-N 3.45Å; G2042-T2116 PolarHBondContact O-OG1 2.58Å; E2043-T2116 CarbonylContact C-O 3.59Å; E2043-T2116 VanDerWaalsContact CA-O 3.29Å; E2043-T2116 WeakPolarHBondContact CA-O 3.26Å; T2044-T2116 WeakPolarHBondContact CG2-O 3.32Å; T2044-T2116 PolarHBondContact N-O 3.45Å; T2044-T2116 PolarHBondContact OG1-O 3.27Å |
| 2117 | G | 76.8 | Confident | 73.4 | Confident | 44 Ų | 44 | 52.7 Ų | 52.7 | 45% | 0.454 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 111.6 | -146.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | T2044 | T2044-G2117 WeakPolarHBondContact OG1-CA 3.48Š|
| 2118 | R | 70.5 | Confident | 73.2 | Confident | 201 Ų | 201 | 58.3 Ų | 58.3 | 76% | 0.758 | 33% | 0.329 | S | S | * | . | trans | -109 | 143.7 | -174.1 | -63 | -176.9 | -178.5 | -173.1 | 0.9 | 110.4 | T2044 L2120 | T2044-R2118 WeakPolarHBondContact CB-O 3.23Å; T2044-R2118 VanDerWaalsContact CG2-O 3.28Å; T2044-R2118 WeakPolarHBondContact CG2-O 3.07Å; T2044-R2118 PolarHBondContact OG1-N 2.9Å; T2044-R2118 PolarHBondContact OG1-O 3.08Å; R2118-L2120 HydrophobicContact CB-CD2 4.31Å; R2118-L2120 WeakPolarHBondContact O-CG 3.24Å; R2118-L2120 PolarHBondContact O-N 3.03Å | ||
| 2119 | H | 70.1 | Confident | 73.1 | Confident | 109 Ų | 109 | 58.7 Ų | 58.7 | 51% | 0.505 | 33% | 0.331 | S | S | . | . | trans | -65.8 | 105.6 | 171.5 | -159 | 97.3 | 0 | 0 | 0 | 110.2 | A2091 G2121 G2122 | A2091-H2119 VanDerWaalsContact CB-CE1 3.4Å; A2091-H2119 WeakPolarHBondContact CB-CE1 3.44Å; A2091-H2119 WeakPolarHBondContact CB-ND1 3.4Å; H2119-G2121 PolarHBondContact NE2-O 2.82Å; H2119-G2122 PolarHBondContact NE2-O 2.74Å | ||
| 2120 | L | 64.4 | Low | 72.7 | Confident | 80 Ų | 80 | 63.9 Ų | 63.9 | 42% | 0.419 | 35% | 0.35 | S | S | . | . | trans | -96.4 | -23.3 | 177.5 | -57.4 | -176.8 | 0 | 0 | 0 | 112.2 | L2090 R2118 | L2090-L2120 HydrophobicContact CD2-CB 4.45Å; L2090-L2120 PolarHBondContact O-N 2.88Å; R2118-L2120 HydrophobicContact CB-CD2 4.31Å; R2118-L2120 WeakPolarHBondContact O-CG 3.24Å; R2118-L2120 PolarHBondContact O-N 3.03Å | ||
| 2121 | G | 56.3 | Low | 72.2 | Confident | 18 Ų | 18 | 65.1 Ų | 65.1 | 19% | 0.186 | 36% | 0.357 | C | S | . | . | S | Bend | trans | 176.7 | 172 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S2070 L2090 A2091 H2119 | S2070-G2121 WeakPolarHBondContact CB-O 3.49Å; L2090-G2121 CarbonylContact C-O 3.57Å; L2090-G2121 VanDerWaalsContact C-O 3.29Å; L2090-G2121 WeakPolarHBondContact CB-O 3.47Å; L2090-G2121 PolarHBondContact O-N 2.78Å; A2091-G2121 PolarHBondContact N-O 3.21Å; H2119-G2121 PolarHBondContact NE2-O 2.82Å |
| 2122 | G | 45.9 | Very low | 71.7 | Confident | 34 Ų | 34 | 66.3 Ų | 66.3 | 35% | 0.351 | 37% | 0.37 | S | S | . | . | trans | 98.2 | 153.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | H2119 | H2119-G2122 PolarHBondContact NE2-O 2.74Š| ||
| 2123 | S | 53.4 | Low | 71.1 | Confident | 58 Ų | 58 | 65.9 Ų | 65.9 | 41% | 0.406 | 37% | 0.37 | S | S | . | . | trans | -81.9 | -10.3 | -172.2 | 67 | 0 | 0 | 0 | 0 | 115.3 | I2125 E2127 | S2123-I2125 PolarHBondContact O-N 2.88Å; S2123-I2125 WeakPolarHBondContact OG-CB 3.31Å; S2123-I2125 PolarHBondContact OG-N 3.28Å; S2123-E2127 WeakPolarHBondContact CB-OE1 3.14Å; S2123-E2127 PolarHBondContact N-OE1 2.79Å; S2123-E2127 VanDerWaalsContact N-OE1 3.14Å; S2123-E2127 PolarHBondContact OG-OE1 2.87Å | ||
| 2124 | G | 51.7 | Low | 70.2 | Confident | 55 Ų | 55 | 69.9 Ų | 69.9 | 57% | 0.567 | 39% | 0.391 | S | S | * | . | S | Bend | trans | 78.9 | -4.2 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P2069 | P2069-G2124 PolarHBondContact O-N 2.93Š|
| 2125 | I | 51.7 | Low | 69.7 | Low | 87 Ų | 87 | 67.8 Ų | 67.8 | 45% | 0.446 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -85.1 | 153.2 | 166.6 | -52.3 | 174.3 | 0 | 0 | 0 | 107.9 | S2123 E2127 | S2123-I2125 PolarHBondContact O-N 2.88Å; S2123-I2125 WeakPolarHBondContact OG-CB 3.31Å; S2123-I2125 PolarHBondContact OG-N 3.28Å; I2125-E2127 PolarHBondContact O-N 2.78Å |
| 2126 | N | 65.5 | Low | 68.9 | Low | 114 Ų | 114 | 71.5 Ų | 71.5 | 61% | 0.61 | 40% | 0.396 | S | S | * | . | trans | -64.9 | 117.3 | 173.8 | -162.5 | 29 | 0 | 0 | 0 | 110.5 | G2068 | G2068-N2126 WeakPolarHBondContact CA-OD1 3.34Å; G2068-N2126 PolarHBondContact N-OD1 3.19Å; G2068-N2126 PolarHBondContact O-OD1 3.27Å | ||
| 2127 | E | 71 | Confident | 68 | Low | 42 Ų | 42 | 70.5 Ų | 70.5 | 20% | 0.196 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 158.4 | -178.4 | -73 | 169.2 | -162.9 | 0 | 0 | 109.2 | D2067 G2068 K2071 S2123 I2125 | D2067-E2127 CarbonylContact C-O 3.59Å; D2067-E2127 WeakPolarHBondContact CA-O 3.45Å; G2068-E2127 PolarHBondContact N-O 2.79Å; G2068-E2127 PolarHBondContact O-N 2.87Å; G2068-E2127 VanDerWaalsContact O-O 3.1Å; K2071-E2127 HydrophobicContact CB-CB 4.11Å; K2071-E2127 WeakPolarHBondContact CB-OE2 3.15Å; K2071-E2127 PolarHBondContact N-OE2 2.81Å; S2123-E2127 WeakPolarHBondContact CB-OE1 3.14Å; S2123-E2127 PolarHBondContact N-OE1 2.79Å; S2123-E2127 VanDerWaalsContact N-OE1 3.14Å; S2123-E2127 PolarHBondContact OG-OE1 2.87Å; I2125-E2127 PolarHBondContact O-N 2.78Å |
| 2128 | Y | 77.6 | Confident | 67.5 | Low | 146 Ų | 146 | 69.4 Ų | 69.4 | 57% | 0.573 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 154.7 | -179 | 74.4 | -90.3 | 0 | 0 | 0 | 114.3 | L2066 D2067 | L2066-Y2128 VanDerWaalsContact O-CA 3.29Å; L2066-Y2128 WeakPolarHBondContact O-CA 3.31Å; D2067-Y2128 WeakPolarHBondContact OD1-CB 3.27Å |
| 2129 | S | 78 | Confident | 66.8 | Low | 13 Ų | 13 | 64 Ų | 64 | 9% | 0.091 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 145.5 | 170.7 | -80.5 | 0 | 0 | 0 | 0 | 110 | Q2065 L2066 K2071 A2072 L2074 | Q2065-S2129 CarbonylContact C-O 3.58Å; Q2065-S2129 WeakPolarHBondContact CA-O 3.37Å; L2066-S2129 PolarHBondContact N-O 2.61Å; L2066-S2129 PolarHBondContact O-N 3.08Å; K2071-S2129 WeakPolarHBondContact CE-OG 3.45Å; K2071-S2129 VanDerWaalsContact CG-OG 3.28Å; K2071-S2129 WeakPolarHBondContact CG-OG 3.26Å; A2072-S2129 WeakPolarHBondContact O-CB 3.46Å; A2072-S2129 PolarHBondContact O-OG 3.25Å; L2074-S2129 WeakPolarHBondContact CD2-O 3.4Å |
| 2130 | R | 81.8 | Confident | 65.8 | Low | 110 Ų | 110 | 59.4 Ų | 59.4 | 42% | 0.415 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 143.6 | -174 | -179.2 | 175.6 | 170.4 | 104.4 | 0.5 | 111.5 | V2064 Q2065 | V2064-R2130 CarbonylContact O-C 3.45Å; V2064-R2130 WeakPolarHBondContact O-CA 3.38Å; Q2065-R2130 HydrophobicContact CB-CB 4.29Å; Q2065-R2130 HydrophobicContact CB-CG 4.2Å; Q2065-R2130 HydrophobicContact CG-CB 4.4Å |
| 2131 | V | 79 | Confident | 64.6 | Low | 31 Ų | 31 | 64.9 Ų | 64.9 | 19% | 0.188 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 144.6 | 174.7 | 170.2 | 0 | 0 | 0 | 0 | 108.4 | V2064 L2074 A2076 I2133 | V2064-V2131 PolarHBondContact N-O 3.07Å; V2064-V2131 PolarHBondContact O-N 2.84Å; V2064-V2131 VanDerWaalsContact O-O 3.14Å; L2074-V2131 HydrophobicContact CB-CG2 4.45Å; L2074-V2131 HydrophobicContact CD2-CG2 4.14Å; L2074-V2131 HydrophobicContact CG-CG2 3.89Å; L2074-V2131 WeakPolarHBondContact O-CG2 3.48Å; A2076-V2131 HydrophobicContact CB-CG1 4.32Å; V2131-I2133 HydrophobicContact CG1-CD1 4.22Å; V2131-I2133 HydrophobicContact CG1-CG1 4Å |
| 2132 | S | 79.6 | Confident | 63.9 | Low | 62 Ų | 62 | 66.7 Ų | 66.7 | 43% | 0.434 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 143.1 | 167.3 | -170.7 | 0 | 0 | 0 | 0 | 110 | N2061 L2062 | N2061-S2132 PolarHBondContact ND2-OG 3.48Å; N2061-S2132 PolarHBondContact OD1-OG 2.97Å; L2062-S2132 CarbonylContact O-C 3.54Å; L2062-S2132 WeakPolarHBondContact O-CA 3.32Å; L2062-S2132 PolarHBondContact O-OG 2.81Å |
| 2133 | I | 75.3 | Confident | 63.4 | Low | 38 Ų | 38 | 73 Ų | 73 | 20% | 0.195 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 125.8 | -176.2 | -64 | 179.9 | 0 | 0 | 0 | 108.4 | L2062 A2076 Y2083 V2131 T2135 | L2062-I2133 PolarHBondContact N-O 3.15Å; L2062-I2133 PolarHBondContact O-N 3.38Å; A2076-I2133 HydrophobicContact CB-CD1 3.55Å; Y2083-I2133 HydrophobicContact CD1-CD1 4.09Å; Y2083-I2133 HydrophobicContact CD1-CG2 4.21Å; Y2083-I2133 HydrophobicContact CE1-CG2 3.9Å; V2131-I2133 HydrophobicContact CG1-CD1 4.22Å; V2131-I2133 HydrophobicContact CG1-CG1 4Å; I2133-T2135 HydrophobicContact CG2-CG2 4.17Å; I2133-T2135 PolarHBondContact O-N 2.75Å |
| 2134 | D | 70.5 | Confident | 62.3 | Low | 84 Ų | 84 | 78 Ų | 78 | 45% | 0.449 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 110.5 | 165.6 | -71.3 | -16.9 | 0 | 0 | 0 | 108.9 | V1998 N2061 | V1998-D2134 WeakPolarHBondContact CB-OD1 3.33Å; V1998-D2134 HydrophobicContact CG2-CB 4.32Å; V1998-D2134 WeakPolarHBondContact CG2-OD2 3.31Å; N2061-D2134 WeakPolarHBondContact CB-OD1 3.46Å; N2061-D2134 PolarHBondContact ND2-OD1 2.92Å |
| 2135 | T | 74.5 | Confident | 61.6 | Low | 7 Ų | 7 | 82.7 Ų | 82.7 | 4% | 0.043 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 144.7 | -170.6 | 63.7 | 0 | 0 | 0 | 0 | 111.9 | P2059 G2060 L2062 Y2083 Y2101 I2133 | P2059-T2135 VanDerWaalsContact CA-O 3.24Å; P2059-T2135 WeakPolarHBondContact CA-O 3.36Å; P2059-T2135 VanDerWaalsContact CB-O 3.26Å; P2059-T2135 WeakPolarHBondContact CB-O 3.36Å; G2060-T2135 PolarHBondContact N-O 2.84Å; G2060-T2135 PolarHBondContact N-OG1 2.86Å; G2060-T2135 WeakPolarHBondContact O-CB 3.34Å; G2060-T2135 PolarHBondContact O-N 3.26Å; G2060-T2135 PolarHBondContact O-OG1 2.84Å; L2062-T2135 HydrophobicContact CB-CG2 3.61Å; L2062-T2135 HydrophobicContact CD2-CG2 4.28Å; Y2083-T2135 HydrophobicContact CD2-CG2 3.73Å; Y2083-T2135 HydrophobicContact CE2-CG2 3.27Å; Y2101-T2135 HydrophobicContact CE2-CG2 4.07Å; Y2101-T2135 WeakPolarHBondContact CE2-OG1 3.37Å; Y2101-T2135 PolarHBondContact OH-OG1 2.94Å; I2133-T2135 HydrophobicContact CG2-CG2 4.17Å; I2133-T2135 PolarHBondContact O-N 2.75Å |
| 2136 | V | 69 | Low | 60.9 | Low | 83 Ų | 83 | 85.1 Ų | 85.1 | 50% | 0.503 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -86.8 | 152.6 | 170 | -62.8 | 0 | 0 | 0 | 0 | 110.5 | Y2083 K2138 | Y2083-V2136 PolarHBondContact OH-N 3.19Å; V2136-K2138 HydrophobicContact CG2-CG 4.27Å; V2136-K2138 PolarHBondContact O-N 3.22Å |
| 2137 | A | 66.1 | Low | 59.6 | Low | 64 Ų | 64 | 83.6 Ų | 83.6 | 53% | 0.529 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 134.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | P2059 | P2059-A2137 HydrophobicContact CG-CB 3.97Š|
| 2138 | K | 66.2 | Low | 58.3 | Low | 21 Ų | 21 | 85.4 Ų | 85.4 | 9% | 0.091 | 47% | 0.474 | C | S | . | . | B | Isolated β-bridge | trans | -126.7 | 150.2 | -180 | -59.5 | -168.9 | -173.7 | -171.7 | 0 | 112.5 | C2055 H2056 D2078 V2079 G2082 Y2083 V2136 | C2055-K2138 WeakPolarHBondContact CA-O 3.48Å; H2056-K2138 PolarHBondContact N-O 2.91Å; D2078-K2138 IonicContact OD1-NZ 3.45Å; D2078-K2138 PolarHBondContact OD1-NZ 3.14Å; D2078-K2138 IonicContact OD2-NZ 3.55Å; D2078-K2138 PolarHBondContact OD2-NZ 2.96Å; V2079-K2138 PolarHBondContact O-NZ 2.88Å; G2082-K2138 PolarHBondContact O-NZ 2.92Å; Y2083-K2138 WeakPolarHBondContact OH-CE 3.29Å; Y2083-K2138 PolarHBondContact OH-NZ 2.87Å; V2136-K2138 HydrophobicContact CG2-CG 4.27Å; V2136-K2138 PolarHBondContact O-N 3.22Å |
| 2139 | S | 55.5 | Low | 56.8 | Low | 88 Ų | 88 | 85.1 Ų | 85.1 | 62% | 0.615 | 48% | 0.476 | S | S | * | . | trans | -137.1 | 121.7 | 173.9 | 51.1 | 0 | 0 | 0 | 0 | 108.9 | M2141 | S2139-M2141 PolarHBondContact O-N 2.78Å; S2139-M2141 VanDerWaalsContact O-N 3.11Å | ||
| 2140 | A | 48.4 | Very low | 55.8 | Low | 13 Ų | 13 | 90 Ų | 90 | 11% | 0.107 | 49% | 0.493 | C | S | . | . | trans | -78.5 | 99.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112 | V2081 G2142 F2143 | V2081-A2140 HydrophobicContact CG1-CB 4.31Å; A2140-G2142 PolarHBondContact O-N 2.9Å; A2140-F2143 HydrophobicContact CB-CB 4.1Å; A2140-F2143 HydrophobicContact CB-CD2 4.15Å; A2140-F2143 PolarHBondContact O-N 2.73Å | ||
| 2141 | M | 40.1 | Very low | 55 | Low | 195 Ų | 195 | 89.7 Ų | 89.7 | 96% | 0.961 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 78.1 | 164.6 | -71.4 | -154.8 | -63.5 | 0 | 0 | 110.8 | S2139 | S2139-M2141 PolarHBondContact O-N 2.78Å; S2139-M2141 VanDerWaalsContact O-N 3.11Å |
| 2142 | G | 41.9 | Very low | 54.8 | Low | 56 Ų | 56 | 88.7 Ų | 88.7 | 58% | 0.577 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 161.5 | -20.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | A2140 | A2140-G2142 PolarHBondContact O-N 2.9Š|
| 2143 | F | 35 | Very low | 55 | Low | 166 Ų | 166 | 88.5 Ų | 88.5 | 73% | 0.728 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -5.4 | -179.3 | -84.4 | -81.9 | 0 | 0 | 0 | 114.9 | V2081 A2140 N2145 | V2081-F2143 HydrophobicContact CG1-CD2 4.19Å; V2081-F2143 HydrophobicContact CG1-CE2 4.08Å; A2140-F2143 HydrophobicContact CB-CB 4.1Å; A2140-F2143 HydrophobicContact CB-CD2 4.15Å; A2140-F2143 PolarHBondContact O-N 2.73Å; F2143-N2145 PolarHBondContact O-N 2.9Å |
| 2144 | M | 29.3 | Very low | 55.6 | Low | 164 Ų | 164 | 86.8 Ų | 86.8 | 81% | 0.808 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | 68.2 | 165.8 | -72.8 | -168.4 | -70.8 | 0 | 0 | 111.5 | ||
| 2145 | N | 38.1 | Very low | 56.2 | Low | 153 Ų | 153 | 86.1 Ų | 86.1 | 82% | 0.818 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | -25.2 | 165.8 | -92.5 | -20.5 | 0 | 0 | 0 | 112.7 | F2143 | F2143-N2145 PolarHBondContact O-N 2.9Š|
| 2146 | E | 35.8 | Very low | 56.7 | Low | 138 Ų | 138 | 91 Ų | 91 | 65% | 0.645 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -133.4 | 133.2 | 163.3 | -64.5 | -153.2 | 128.4 | 0 | 0 | 109.7 | K2149 | E2146-K2149 WeakPolarHBondContact OE1-CE 3.44Å; E2146-K2149 IonicContact OE1-NZ 3.95Å; E2146-K2149 PolarHBondContact OE1-NZ 3.49Å; E2146-K2149 IonicContact OE2-NZ 3.94Å; E2146-K2149 PolarHBondContact OE2-NZ 2.81Å |
| 2147 | A | 39.8 | Very low | 57.8 | Low | 81 Ų | 81 | 87.1 Ų | 87.1 | 67% | 0.669 | 49% | 0.493 | S | S | * | . | trans | -78.5 | 151.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | K2149 | A2147-K2149 PolarHBondContact O-N 2.84Š| ||
| 2148 | P | 43.9 | Very low | 58.9 | Low | 80 Ų | 80 | 87 Ų | 87 | 52% | 0.519 | 49% | 0.486 | S | S | . | . | trans | -54.9 | 127.4 | 176.2 | 21.3 | -32.7 | 0 | 0 | 0 | 111.3 | Y2150 | P2148-Y2150 VanDerWaalsContact C-N 3.33Å; P2148-Y2150 HydrophobicContact CB-CE1 4.19Å; P2148-Y2150 HydrophobicContact CB-CE2 4.11Å; P2148-Y2150 HydrophobicContact CG-CE1 4.48Å; P2148-Y2150 HydrophobicContact CG-CE2 3.68Å; P2148-Y2150 WeakPolarHBondContact CG-OH 3.31Å; P2148-Y2150 PolarHBondContact O-N 3.03Å | ||
| 2149 | K | 46.3 | Very low | 60.1 | Low | 141 Ų | 141 | 87.1 Ų | 87.1 | 61% | 0.613 | 49% | 0.489 | S | S | * | . | trans | -83.5 | 75.2 | -174.7 | -73.8 | 168 | -179.4 | 148.2 | 0 | 110.8 | E2146 A2147 | E2146-K2149 WeakPolarHBondContact OE1-CE 3.44Å; E2146-K2149 IonicContact OE1-NZ 3.95Å; E2146-K2149 PolarHBondContact OE1-NZ 3.49Å; E2146-K2149 IonicContact OE2-NZ 3.94Å; E2146-K2149 PolarHBondContact OE2-NZ 2.81Å; A2147-K2149 PolarHBondContact O-N 2.84Å | ||
| 2150 | Y | 56.4 | Low | 61.4 | Low | 114 Ų | 114 | 89 Ų | 89 | 45% | 0.447 | 49% | 0.488 | S | S | . | . | trans | -62.7 | 156.2 | 168.5 | -52.2 | -62 | 0 | 0 | 0 | 111.3 | P2148 L2184 | P2148-Y2150 VanDerWaalsContact C-N 3.33Å; P2148-Y2150 HydrophobicContact CB-CE1 4.19Å; P2148-Y2150 HydrophobicContact CB-CE2 4.11Å; P2148-Y2150 HydrophobicContact CG-CE1 4.48Å; P2148-Y2150 HydrophobicContact CG-CE2 3.68Å; P2148-Y2150 WeakPolarHBondContact CG-OH 3.31Å; P2148-Y2150 PolarHBondContact O-N 3.03Å; Y2150-L2184 HydrophobicContact CD1-CB 4.18Å; Y2150-L2184 HydrophobicContact CD1-CD2 4.18Å; Y2150-L2184 HydrophobicContact CE1-CD2 4.08Å | ||
| 2151 | S | 64.5 | Low | 63.1 | Low | 104 Ų | 104 | 90.2 Ų | 90.2 | 73% | 0.727 | 50% | 0.502 | S | S | * | . | trans | -160.2 | 90 | -172.1 | 164.8 | 0 | 0 | 0 | 0 | 110.6 | L2184 | S2151-L2184 CarbonylContact C-O 3.57Å; S2151-L2184 VanDerWaalsContact C-O 3.23Å; S2151-L2184 PolarHBondContact N-O 2.64Å | ||
| 2152 | G | 74.1 | Confident | 64.9 | Low | 10 Ų | 10 | 83.5 Ų | 83.5 | 10% | 0.103 | 48% | 0.482 | C | S | . | . | trans | -110.4 | 153.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A2154 A2182 L2184 D2185 | G2152-A2154 PolarHBondContact O-N 3.49Å; G2152-A2182 CarbonylContact C-O 3.55Å; G2152-A2182 VanDerWaalsContact CA-O 3.25Å; G2152-A2182 WeakPolarHBondContact CA-O 3.36Å; G2152-L2184 PolarHBondContact N-O 3.06Å; G2152-D2185 PolarHBondContact N-OD2 3.17Å | ||
| 2153 | D | 83.9 | Confident | 67 | Low | 58 Ų | 58 | 81 Ų | 81 | 31% | 0.31 | 46% | 0.456 | S | S | . | . | trans | -89.1 | 89.5 | 172.1 | -173.2 | 3.4 | 0 | 0 | 0 | 110.2 | A2155 K2156 A2182 | D2153-A2155 PolarHBondContact O-N 2.71Å; D2153-A2155 WeakPolarHBondContact OD1-CB 3.35Å; D2153-A2155 PolarHBondContact OD1-N 2.79Å; D2153-K2156 HydrophobicContact CB-CD 4.12Å; D2153-K2156 HydrophobicContact CB-CG 4.33Å; D2153-K2156 PolarHBondContact O-N 2.87Å; D2153-K2156 WeakPolarHBondContact OD2-CD 3.23Å; D2153-K2156 WeakPolarHBondContact OD2-CE 3.23Å; D2153-K2156 IonicContact OD2-NZ 2.83Å; D2153-K2156 PolarHBondContact OD2-NZ 3.21Å; D2153-A2182 PolarHBondContact N-O 2.65Å; D2153-A2182 WeakPolarHBondContact O-CB 3.45Å | ||
| 2154 | A | 88.1 | Confident | 69.4 | Low | 2 Ų | 2 | 73.8 Ų | 73.8 | 2% | 0.017 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -51 | -26.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G2152 K2156 V2157 K2232 V2234 P2235 | G2152-A2154 PolarHBondContact O-N 3.49Å; A2154-K2156 PolarHBondContact O-N 3.3Å; A2154-V2157 PolarHBondContact O-N 3.22Å; A2154-K2232 HydrophobicContact CB-CB 3.63Å; A2154-K2232 HydrophobicContact CB-CD 4.46Å; A2154-V2234 HydrophobicContact CB-CG1 4.34Å; A2154-P2235 WeakPolarHBondContact O-CD 3.22Å |
| 2155 | A | 83.7 | Confident | 71.9 | Confident | 71 Ų | 71 | 74.6 Ų | 74.6 | 59% | 0.587 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -68.7 | -14.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D2153 P2235 | D2153-A2155 PolarHBondContact O-N 2.71Å; D2153-A2155 WeakPolarHBondContact OD1-CB 3.35Å; D2153-A2155 PolarHBondContact OD1-N 2.79Å; A2155-P2235 WeakPolarHBondContact O-CG 3.28Å |
| 2156 | K | 84.8 | Confident | 73.7 | Confident | 110 Ų | 110 | 73.3 Ų | 73.3 | 48% | 0.478 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -98.5 | -7.8 | 176.8 | -64.3 | 177.4 | -173.4 | 134.9 | 0 | 113.9 | D2153 A2154 K2181 A2182 | D2153-K2156 HydrophobicContact CB-CD 4.12Å; D2153-K2156 HydrophobicContact CB-CG 4.33Å; D2153-K2156 PolarHBondContact O-N 2.87Å; D2153-K2156 WeakPolarHBondContact OD2-CD 3.23Å; D2153-K2156 WeakPolarHBondContact OD2-CE 3.23Å; D2153-K2156 IonicContact OD2-NZ 2.83Å; D2153-K2156 PolarHBondContact OD2-NZ 3.21Å; A2154-K2156 PolarHBondContact O-N 3.3Å; K2156-K2181 HydrophobicContact CB-CB 4.32Å; K2156-K2181 WeakPolarHBondContact CB-O 2.97Å; K2156-K2181 WeakPolarHBondContact CD-O 3.31Å; K2156-A2182 HydrophobicContact CB-CB 4.42Å |
| 2157 | V | 91.2 | Very high | 75.8 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.006 | 38% | 0.381 | C | S | . | . | trans | -71.2 | 130.1 | 171.5 | -179.7 | 0 | 0 | 0 | 0 | 108.7 | A2154 V2177 D2178 C2179 A2182 Y2229 V2234 | A2154-V2157 PolarHBondContact O-N 3.22Å; V2157-V2177 HydrophobicContact CG1-CG1 3.36Å; V2157-D2178 WeakPolarHBondContact CA-O 3.48Å; V2157-C2179 HydrophobicContact CG2-CB 4.27Å; V2157-A2182 HydrophobicContact CG2-CB 3.54Å; V2157-Y2229 HydrophobicContact CG2-CD1 3.76Å; V2157-Y2229 HydrophobicContact CG2-CD2 4.17Å; V2157-Y2229 HydrophobicContact CG2-CE1 4.39Å; V2157-Y2229 HydrophobicContact CG2-CG 3.65Å; V2157-V2234 HydrophobicContact CB-CB 4.03Å; V2157-V2234 HydrophobicContact CB-CG1 3.67Å; V2157-V2234 HydrophobicContact CG1-CB 4.23Å; V2157-V2234 HydrophobicContact CG1-CG1 3.83Å; V2157-V2234 HydrophobicContact CG2-CG1 4.02Å | ||
| 2158 | T | 89.1 | Confident | 77.8 | Confident | 61 Ų | 61 | 67.6 Ų | 67.6 | 37% | 0.374 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 139 | 176 | 79.3 | 0 | 0 | 0 | 0 | 111.1 | D2178 | T2158-D2178 PolarHBondContact N-O 3.29Å; T2158-D2178 PolarHBondContact O-N 2.92Å |
| 2159 | C | 91.3 | Very high | 79.6 | Confident | 23 Ų | 23 | 64.8 Ų | 64.8 | 16% | 0.155 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125.6 | -176 | -57.4 | 0 | 0 | 0 | 0 | 109.2 | L2164 S2176 I2227 F2239 | C2159-L2164 HydrophobicContact CB-CD1 3.52Å; C2159-S2176 WeakPolarHBondContact CA-O 3.47Å; C2159-I2227 HydrophobicContact CB-CD1 4.16Å; C2159-F2239 HydrophobicContact CB-CE2 4.21Å; C2159-F2239 HydrophobicContact CB-CZ 3.8Å |
| 2160 | Q | 84.2 | Confident | 81 | Confident | 129 Ų | 129 | 61 Ų | 61 | 60% | 0.603 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 145.8 | -173.8 | -58.1 | -168.7 | 36.1 | 0 | 0 | 111.9 | F2175 S2176 | Q2160-F2175 CarbonylContact O-C 3.53Å; Q2160-F2175 WeakPolarHBondContact O-CA 3.35Å; Q2160-F2175 WeakPolarHBondContact O-CB 3.4Å; Q2160-S2176 PolarHBondContact N-O 2.79Å; Q2160-S2176 PolarHBondContact O-N 2.85Å; Q2160-S2176 PolarHBondContact O-OG 3.27Å |
| 2161 | G | 83.4 | Confident | 82.2 | Confident | 38 Ų | 38 | 63.4 Ų | 63.4 | 39% | 0.392 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 135.7 | 166.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G2163 L2164 | G2161-G2163 PolarHBondContact O-N 2.86Å; G2161-L2164 PolarHBondContact O-N 2.84Å |
| 2162 | G | 79 | Confident | 83.1 | Confident | 53 Ų | 53 | 63.6 Ų | 63.6 | 55% | 0.546 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -63 | -40.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L2164 K2165 K2166 | G2162-L2164 PolarHBondContact O-N 3.47Å; G2162-K2165 PolarHBondContact O-N 3.06Å; G2162-K2166 PolarHBondContact O-N 3.37Å; G2162-K2166 VanDerWaalsContact O-N 3.07Å |
| 2163 | G | 85.7 | Confident | 83.9 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -63.4 | -11.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | G2161 T2174 Y2215 I2241 | G2161-G2163 PolarHBondContact O-N 2.86Å; G2163-T2174 PolarHBondContact N-O 2.69Å; G2163-T2174 VanDerWaalsContact N-O 3.1Å; G2163-Y2215 PolarHBondContact O-OH 2.87Å; G2163-I2241 WeakPolarHBondContact O-CD1 3.48Å |
| 2164 | L | 85.8 | Confident | 84.3 | Confident | 16 Ų | 16 | 63.8 Ų | 63.8 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -90.8 | -8.3 | 174 | -64.8 | 167.4 | 0 | 0 | 0 | 113.6 | C2159 G2161 G2162 F2175 I2227 F2239 I2241 | C2159-L2164 HydrophobicContact CB-CD1 3.52Å; G2161-L2164 PolarHBondContact O-N 2.84Å; G2162-L2164 PolarHBondContact O-N 3.47Å; L2164-F2175 HydrophobicContact CD1-CB 3.79Å; L2164-F2175 HydrophobicContact CD1-CD2 3.89Å; L2164-F2175 HydrophobicContact CD1-CG 3.94Å; L2164-F2175 HydrophobicContact CD2-CB 4.39Å; L2164-F2175 HydrophobicContact CD2-CD1 3.9Å; L2164-F2175 HydrophobicContact CD2-CD2 3.79Å; L2164-F2175 HydrophobicContact CD2-CE1 4.01Å; L2164-F2175 HydrophobicContact CD2-CE2 3.91Å; L2164-F2175 HydrophobicContact CD2-CG 3.77Å; L2164-F2175 HydrophobicContact CD2-CZ 4.01Å; L2164-F2175 HydrophobicContact CG-CB 3.64Å; L2164-F2175 HydrophobicContact CG-CD1 3.98Å; L2164-F2175 HydrophobicContact CG-CD2 3.89Å; L2164-F2175 HydrophobicContact CG-CG 3.58Å; L2164-I2227 HydrophobicContact CD2-CD1 4.03Å; L2164-F2239 HydrophobicContact CB-CD1 4.14Å; L2164-F2239 HydrophobicContact CB-CE1 4.44Å; L2164-F2239 HydrophobicContact CD2-CB 4.35Å; L2164-F2239 HydrophobicContact CD2-CD1 4.04Å; L2164-F2239 HydrophobicContact CD2-CD2 3.86Å; L2164-F2239 HydrophobicContact CD2-CE1 4.3Å; L2164-F2239 HydrophobicContact CD2-CE2 4.15Å; L2164-F2239 HydrophobicContact CD2-CG 3.81Å; L2164-F2239 HydrophobicContact CD2-CZ 4.36Å; L2164-I2241 WeakPolarHBondContact O-CG1 3.45Å |
| 2165 | K | 80.8 | Confident | 84.5 | Confident | 180 Ų | 180 | 63.9 Ų | 63.9 | 78% | 0.783 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | -39.5 | -178.4 | -62.3 | -176.9 | -179.3 | -180 | 0 | 112.3 | G2162 | G2162-K2165 PolarHBondContact O-N 3.06Š|
| 2166 | K | 77 | Confident | 84.9 | Confident | 126 Ų | 126 | 62.7 Ų | 62.7 | 55% | 0.548 | 33% | 0.325 | S | S | . | . | trans | -148 | 130.2 | 179.8 | -170.1 | 170.6 | -175.5 | 174.7 | 0 | 109.6 | G2162 F2168 | G2162-K2166 PolarHBondContact O-N 3.37Å; G2162-K2166 VanDerWaalsContact O-N 3.07Å; K2166-F2168 HydrophobicContact CD-CZ 4.27Å | ||
| 2167 | A | 79.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | -97.1 | 161.8 | 172 | 0 | 0 | 0 | 0 | 0 | 109.7 | N2173 Y2215 I2241 Q2242 I2243 | A2167-N2173 WeakPolarHBondContact CA-OD1 3.3Å; A2167-Y2215 HydrophobicContact CB-CE2 4.31Å; A2167-Y2215 WeakPolarHBondContact CB-OH 3.31Å; A2167-I2241 HydrophobicContact CB-CG2 3.69Å; A2167-I2241 VanDerWaalsContact N-CG2 3.27Å; A2167-Q2242 PolarHBondContact N-O 2.98Å; A2167-I2243 HydrophobicContact CB-CB 4.04Å; A2167-I2243 HydrophobicContact CB-CG1 3.73Å; A2167-I2243 HydrophobicContact CB-CG2 3.89Å | ||
| 2168 | F | 81.2 | Confident | 85.2 | Confident | 99 Ų | 99 | 58.8 Ų | 58.8 | 43% | 0.434 | 31% | 0.31 | S | S | . | . | trans | -127 | 125.8 | 165.8 | -63.6 | -85.2 | 0 | 0 | 0 | 108.7 | K2166 N2170 R2171 N2173 | K2166-F2168 HydrophobicContact CD-CZ 4.27Å; F2168-N2170 PolarHBondContact O-N 3.42Å; F2168-R2171 HydrophobicContact CB-CB 4.26Å; F2168-R2171 HydrophobicContact CB-CG 4.27Å; F2168-R2171 PolarHBondContact O-N 2.95Å; F2168-N2173 PolarHBondContact N-OD1 3.1Å; F2168-N2173 PolarHBondContact O-ND2 2.97Å | ||
| 2169 | A | 81 | Confident | 85.2 | Confident | 22 Ų | 22 | 56 Ų | 56 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 135.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | R2171 V2217 R2220 I2243 | A2169-R2171 VanDerWaalsContact C-N 3.3Å; A2169-R2171 PolarHBondContact O-N 3.02Å; A2169-V2217 CarbonylContact C-O 3.59Å; A2169-V2217 VanDerWaalsContact CA-O 3.24Å; A2169-V2217 WeakPolarHBondContact CA-O 3.21Å; A2169-R2220 HydrophobicContact CB-CG 4.3Å; A2169-I2243 HydrophobicContact CB-CG2 3.68Å |
| 2170 | N | 76.6 | Confident | 84.6 | Confident | 60 Ų | 60 | 57.7 Ų | 57.7 | 32% | 0.321 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 29.2 | 179.5 | -43.7 | -88.2 | 0 | 0 | 0 | 114.5 | K908 F2168 V2217 R2218 | K908-N2170 WeakPolarHBondContact CE-OD1 3.32Å; K908-N2170 PolarHBondContact NZ-ND2 3.04Å; K908-N2170 PolarHBondContact NZ-OD1 3.25Å; F2168-N2170 PolarHBondContact O-N 3.42Å; N2170-V2217 PolarHBondContact N-O 2.86Å; N2170-R2218 PolarHBondContact ND2-O 3.2Å; N2170-R2218 VanDerWaalsContact OD1-CA 3.32Å; N2170-R2218 WeakPolarHBondContact OD1-CA 3.4Å; N2170-R2218 WeakPolarHBondContact OD1-CG 3.2Å; N2170-R2218 PolarHBondContact OD1-O 3Å |
| 2171 | R | 81.6 | Confident | 84.4 | Confident | 165 Ų | 165 | 58.9 Ų | 58.9 | 62% | 0.623 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -126.1 | 154.7 | 168.4 | -62.7 | -172.1 | 176.5 | -173 | -3.6 | 109.8 | F2168 A2169 N2173 | F2168-R2171 HydrophobicContact CB-CB 4.26Å; F2168-R2171 HydrophobicContact CB-CG 4.27Å; F2168-R2171 PolarHBondContact O-N 2.95Å; A2169-R2171 VanDerWaalsContact C-N 3.3Å; A2169-R2171 PolarHBondContact O-N 3.02Å; R2171-N2173 PolarHBondContact O-N 2.88Å; R2171-N2173 PolarHBondContact O-ND2 2.92Å |
| 2172 | H | 83.6 | Confident | 84.3 | Confident | 108 Ų | 108 | 57.4 Ų | 57.4 | 50% | 0.5 | 29% | 0.292 | S | S | . | . | trans | -66.7 | 117.9 | 162.1 | -64.3 | 147.1 | 0 | 0 | 0 | 108.6 | E2200 M2216 | H2172-E2200 IonicContact NE2-OE2 2.69Å; H2172-M2216 WeakPolarHBondContact NE2-CE 3.32Å | ||
| 2173 | N | 90 | Very high | 83.9 | Confident | 7 Ų | 7 | 56.8 Ų | 56.8 | 4% | 0.037 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 118.5 | 175 | -65 | -77.8 | 0 | 0 | 0 | 107.5 | A2167 F2168 R2171 N2214 Y2215 | A2167-N2173 WeakPolarHBondContact CA-OD1 3.3Å; F2168-N2173 PolarHBondContact N-OD1 3.1Å; F2168-N2173 PolarHBondContact O-ND2 2.97Å; R2171-N2173 PolarHBondContact O-N 2.88Å; R2171-N2173 PolarHBondContact O-ND2 2.92Å; N2173-N2214 WeakPolarHBondContact O-CA 3.48Å; N2173-Y2215 HydrophobicContact CB-CD1 3.89Å; N2173-Y2215 HydrophobicContact CB-CD2 4.2Å; N2173-Y2215 HydrophobicContact CB-CE1 3.4Å; N2173-Y2215 HydrophobicContact CB-CE2 3.73Å; N2173-Y2215 HydrophobicContact CB-CG 4.27Å; N2173-Y2215 PolarHBondContact N-O 3.21Å; N2173-Y2215 WeakPolarHBondContact O-CD1 3.39Å; N2173-Y2215 WeakPolarHBondContact O-CE1 3.39Å; N2173-Y2215 PolarHBondContact O-N 2.96Å |
| 2174 | T | 92.2 | Very high | 83 | Confident | 66 Ų | 66 | 60.3 Ų | 60.3 | 41% | 0.405 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 140.9 | -169.9 | -44.9 | 0 | 0 | 0 | 0 | 112.1 | G2163 I2212 V2213 N2214 | G2163-T2174 PolarHBondContact N-O 2.69Å; G2163-T2174 VanDerWaalsContact N-O 3.1Å; T2174-I2212 HydrophobicContact CG2-CG2 3.64Å; T2174-V2213 WeakPolarHBondContact CA-O 3.15Å; T2174-N2214 WeakPolarHBondContact CB-OD1 3.45Å; T2174-N2214 VanDerWaalsContact CG2-OD1 3.31Å; T2174-N2214 WeakPolarHBondContact CG2-OD1 3.45Å; T2174-N2214 PolarHBondContact OG1-OD1 3.28Å |
| 2175 | F | 93 | Very high | 82.7 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 160.5 | 165.3 | 63.7 | -93.5 | 0 | 0 | 0 | 110.8 | Q2160 L2164 V2177 V2189 V2213 Y2215 I2225 I2227 | Q2160-F2175 CarbonylContact O-C 3.53Å; Q2160-F2175 WeakPolarHBondContact O-CA 3.35Å; Q2160-F2175 WeakPolarHBondContact O-CB 3.4Å; L2164-F2175 HydrophobicContact CD1-CB 3.79Å; L2164-F2175 HydrophobicContact CD1-CD2 3.89Å; L2164-F2175 HydrophobicContact CD1-CG 3.94Å; L2164-F2175 HydrophobicContact CD2-CB 4.39Å; L2164-F2175 HydrophobicContact CD2-CD1 3.9Å; L2164-F2175 HydrophobicContact CD2-CD2 3.79Å; L2164-F2175 HydrophobicContact CD2-CE1 4.01Å; L2164-F2175 HydrophobicContact CD2-CE2 3.91Å; L2164-F2175 HydrophobicContact CD2-CG 3.77Å; L2164-F2175 HydrophobicContact CD2-CZ 4.01Å; L2164-F2175 HydrophobicContact CG-CB 3.64Å; L2164-F2175 HydrophobicContact CG-CD1 3.98Å; L2164-F2175 HydrophobicContact CG-CD2 3.89Å; L2164-F2175 HydrophobicContact CG-CG 3.58Å; F2175-V2177 HydrophobicContact CD2-CG2 3.89Å; F2175-V2177 HydrophobicContact CE2-CG2 3.54Å; F2175-V2189 HydrophobicContact CZ-CG1 4.31Å; F2175-V2213 HydrophobicContact CD1-CB 4.19Å; F2175-V2213 HydrophobicContact CD1-CG1 4.42Å; F2175-V2213 HydrophobicContact CD2-CB 4Å; F2175-V2213 HydrophobicContact CD2-CG2 4.17Å; F2175-V2213 HydrophobicContact CE1-CB 3.8Å; F2175-V2213 HydrophobicContact CE1-CG1 3.66Å; F2175-V2213 HydrophobicContact CE2-CB 3.58Å; F2175-V2213 HydrophobicContact CE2-CG1 4.12Å; F2175-V2213 HydrophobicContact CE2-CG2 3.52Å; F2175-V2213 HydrophobicContact CG-CB 4.3Å; F2175-V2213 HydrophobicContact CZ-CB 3.49Å; F2175-V2213 VanDerWaalsContact CZ-CB 3.49Å; F2175-V2213 HydrophobicContact CZ-CG1 3.49Å; F2175-V2213 VanDerWaalsContact CZ-CG1 3.49Å; F2175-V2213 HydrophobicContact CZ-CG2 3.76Å; F2175-V2213 PolarHBondContact N-O 3.18Å; F2175-V2213 PolarHBondContact O-N 2.89Å; F2175-Y2215 HydrophobicContact CD1-CD1 4.13Å; F2175-Y2215 AromaticContact CD1-CE1 3.92Å; F2175-Y2215 HydrophobicContact CD1-CE1 3.92Å; F2175-Y2215 AromaticContact CE1-CD1 3.72Å; F2175-Y2215 HydrophobicContact CE1-CD1 3.72Å; F2175-Y2215 AromaticContact CE1-CE1 3.78Å; F2175-Y2215 HydrophobicContact CE1-CE1 3.78Å; F2175-I2225 HydrophobicContact CE1-CD1 3.91Å; F2175-I2225 HydrophobicContact CE1-CG2 4.1Å; F2175-I2225 HydrophobicContact CZ-CG2 3.81Å; F2175-I2227 HydrophobicContact CD2-CD1 4.32Å; F2175-I2227 HydrophobicContact CE2-CD1 3.4Å; F2175-I2227 HydrophobicContact CE2-CG1 4.29Å; F2175-I2227 HydrophobicContact CZ-CD1 3.81Å; F2175-I2227 HydrophobicContact CZ-CG1 4.33Å |
| 2176 | S | 91.3 | Very high | 82.7 | Confident | 45 Ų | 45 | 58 Ų | 58 | 32% | 0.315 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 150 | 171.3 | 59 | 0 | 0 | 0 | 0 | 111.9 | C2159 Q2160 F2211 | C2159-S2176 WeakPolarHBondContact CA-O 3.47Å; Q2160-S2176 PolarHBondContact N-O 2.79Å; Q2160-S2176 PolarHBondContact O-N 2.85Å; Q2160-S2176 PolarHBondContact O-OG 3.27Å; S2176-F2211 CarbonylContact C-O 3.51Å; S2176-F2211 WeakPolarHBondContact CA-O 3.35Å |
| 2177 | V | 94 | Very high | 83.3 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 113.6 | 170.6 | -175.2 | 0 | 0 | 0 | 0 | 107.4 | V2157 F2175 L2187 N2210 F2211 V2213 I2227 | V2157-V2177 HydrophobicContact CG1-CG1 3.36Å; F2175-V2177 HydrophobicContact CD2-CG2 3.89Å; F2175-V2177 HydrophobicContact CE2-CG2 3.54Å; V2177-L2187 HydrophobicContact CB-CD2 4.42Å; V2177-L2187 HydrophobicContact CG1-CD1 4.02Å; V2177-L2187 HydrophobicContact CG1-CD2 4.28Å; V2177-N2210 WeakPolarHBondContact O-CA 3.44Å; V2177-F2211 HydrophobicContact CB-CB 4.45Å; V2177-F2211 PolarHBondContact N-O 2.91Å; V2177-F2211 PolarHBondContact O-N 3.31Å; V2177-V2213 HydrophobicContact CG2-CG2 3.97Å; V2177-I2227 HydrophobicContact CG1-CG2 4.38Å; V2177-I2227 HydrophobicContact CG2-CD1 4.08Å; V2177-I2227 HydrophobicContact CG2-CG2 4.44Å |
| 2178 | D | 90 | Very high | 83.8 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 16% | 0.155 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 101.7 | 175.4 | 179.1 | 19.2 | 0 | 0 | 0 | 109.4 | V2157 T2158 S2180 N2210 | V2157-D2178 WeakPolarHBondContact CA-O 3.48Å; T2158-D2178 PolarHBondContact N-O 3.29Å; T2158-D2178 PolarHBondContact O-N 2.92Å; D2178-S2180 WeakPolarHBondContact OD1-CB 3.24Å; D2178-S2180 PolarHBondContact OD1-N 3.31Å; D2178-S2180 PolarHBondContact OD1-OG 3.25Å; D2178-S2180 PolarHBondContact OD2-OG 2.84Å; D2178-N2210 WeakPolarHBondContact CB-OD1 3.29Å; D2178-N2210 PolarHBondContact OD1-ND2 3.23Å |
| 2179 | C | 88.7 | Confident | 84.4 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.014 | 28% | 0.284 | C | S | . | . | trans | -92.7 | 2.7 | 172.7 | -59 | 0 | 0 | 0 | 0 | 113 | V2157 K2181 A2182 G2209 F2211 Y2229 | V2157-C2179 HydrophobicContact CG2-CB 4.27Å; C2179-K2181 PolarHBondContact O-N 3.32Å; C2179-A2182 WeakPolarHBondContact O-CB 3.22Å; C2179-A2182 PolarHBondContact O-N 3.36Å; C2179-G2209 WeakPolarHBondContact CA-O 3.5Å; C2179-G2209 WeakPolarHBondContact CB-O 3.45Å; C2179-G2209 PolarHBondContact N-O 2.77Å; C2179-F2211 HydrophobicContact CB-CE2 4.29Å; C2179-Y2229 HydrophobicContact CB-CE1 4.47Å; C2179-Y2229 HydrophobicContact CB-CE2 3.89Å; C2179-Y2229 WeakPolarHBondContact SG-CE2 3.43Å | ||
| 2180 | S | 78.3 | Confident | 84.9 | Confident | 60 Ų | 60 | 53 Ų | 53 | 42% | 0.42 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -27.9 | -170.8 | 62.4 | 0 | 0 | 0 | 0 | 114.7 | D2178 R2208 | D2178-S2180 WeakPolarHBondContact OD1-CB 3.24Å; D2178-S2180 PolarHBondContact OD1-N 3.31Å; D2178-S2180 PolarHBondContact OD1-OG 3.25Å; D2178-S2180 PolarHBondContact OD2-OG 2.84Å; S2180-R2208 WeakPolarHBondContact CB-O 3.26Å |
| 2181 | K | 79.8 | Confident | 85.6 | Confident | 153 Ų | 153 | 50.4 Ų | 50.4 | 67% | 0.665 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 0.2 | -177.8 | -66.1 | 169.8 | -172.9 | 169 | 0 | 113.9 | K2156 C2179 | K2156-K2181 HydrophobicContact CB-CB 4.32Å; K2156-K2181 WeakPolarHBondContact CB-O 2.97Å; K2156-K2181 WeakPolarHBondContact CD-O 3.31Å; C2179-K2181 PolarHBondContact O-N 3.32Å |
| 2182 | A | 80.8 | Confident | 85.7 | Confident | 7 Ų | 7 | 47 Ų | 47 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -17.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | G2152 D2153 K2156 V2157 C2179 Y2229 | G2152-A2182 CarbonylContact C-O 3.55Å; G2152-A2182 VanDerWaalsContact CA-O 3.25Å; G2152-A2182 WeakPolarHBondContact CA-O 3.36Å; D2153-A2182 PolarHBondContact N-O 2.65Å; D2153-A2182 WeakPolarHBondContact O-CB 3.45Å; K2156-A2182 HydrophobicContact CB-CB 4.42Å; V2157-A2182 HydrophobicContact CG2-CB 3.54Å; C2179-A2182 WeakPolarHBondContact O-CB 3.22Å; C2179-A2182 PolarHBondContact O-N 3.36Å; A2182-Y2229 HydrophobicContact CB-CD1 3.78Å; A2182-Y2229 HydrophobicContact CB-CE1 3.55Å |
| 2183 | G | 72.4 | Confident | 85.6 | Confident | 41 Ų | 41 | 42.8 Ų | 42.8 | 42% | 0.423 | 25% | 0.251 | S | S | . | . | trans | 81.4 | -174.1 | -161.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y2229 | G2183-Y2229 WeakPolarHBondContact O-CE1 3.37Å; G2183-Y2229 PolarHBondContact O-OH 3.36Å | ||
| 2184 | L | 65.4 | Low | 84.9 | Confident | 76 Ų | 76 | 47.6 Ų | 47.6 | 40% | 0.398 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -85.8 | 125.8 | 175.6 | -96.7 | 77.2 | 0 | 0 | 0 | 111.7 | I1784 Y2150 S2151 G2152 | I1784-L2184 WeakPolarHBondContact O-CD1 3.36Å; I1784-L2184 VanDerWaalsContact O-CD2 3.31Å; I1784-L2184 WeakPolarHBondContact O-CD2 3.27Å; Y2150-L2184 HydrophobicContact CD1-CB 4.18Å; Y2150-L2184 HydrophobicContact CD1-CD2 4.18Å; Y2150-L2184 HydrophobicContact CE1-CD2 4.08Å; S2151-L2184 CarbonylContact C-O 3.57Å; S2151-L2184 VanDerWaalsContact C-O 3.23Å; S2151-L2184 PolarHBondContact N-O 2.64Å; G2152-L2184 PolarHBondContact N-O 3.06Å |
| 2185 | D | 79.5 | Confident | 83.9 | Confident | 40 Ų | 40 | 51.3 Ų | 51.3 | 21% | 0.214 | 28% | 0.283 | C | S | . | . | trans | -151.8 | 171.1 | 162.5 | -139.1 | -38.8 | 0 | 0 | 0 | 111.6 | G2152 L2187 Y2229 G2230 | G2152-D2185 PolarHBondContact N-OD2 3.17Å; D2185-L2187 PolarHBondContact O-N 2.89Å; D2185-Y2229 HydrophobicContact CB-CD1 3.51Å; D2185-Y2229 HydrophobicContact CB-CD2 4.43Å; D2185-Y2229 HydrophobicContact CB-CE1 3.44Å; D2185-Y2229 VanDerWaalsContact CB-CE1 3.44Å; D2185-Y2229 HydrophobicContact CB-CE2 4.35Å; D2185-Y2229 HydrophobicContact CB-CG 4.01Å; D2185-Y2229 VanDerWaalsContact N-CZ 3.28Å; D2185-Y2229 PolarHBondContact N-OH 2.98Å; D2185-Y2229 WeakPolarHBondContact O-CE2 3.01Å; D2185-Y2229 VanDerWaalsContact O-CZ 3.23Å; D2185-Y2229 PolarHBondContact O-OH 2.72Å; D2185-G2230 VanDerWaalsContact CG-N 3.35Å; D2185-G2230 WeakPolarHBondContact OD1-CA 3.4Å; D2185-G2230 PolarHBondContact OD1-N 3.09Å | ||
| 2186 | L | 81.3 | Confident | 83.2 | Confident | 108 Ų | 108 | 52.1 Ų | 52.1 | 57% | 0.565 | 29% | 0.293 | S | S | * | . | trans | -71.4 | 106.7 | 178.9 | -175.1 | 71.3 | 0 | 0 | 0 | 111 | T2188 G2230 | L2186-T2188 PolarHBondContact O-N 2.64Å; L2186-G2230 PolarHBondContact O-N 3.2Å | ||
| 2187 | L | 88.4 | Confident | 82.6 | Confident | 30 Ų | 30 | 55.2 Ų | 55.2 | 16% | 0.157 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 107.1 | 168.5 | 179.2 | 59.4 | 0 | 0 | 0 | 110 | V2177 D2185 V2189 V2203 F2211 I2227 Y2229 | V2177-L2187 HydrophobicContact CB-CD2 4.42Å; V2177-L2187 HydrophobicContact CG1-CD1 4.02Å; V2177-L2187 HydrophobicContact CG1-CD2 4.28Å; D2185-L2187 PolarHBondContact O-N 2.89Å; L2187-V2189 HydrophobicContact CD1-CG2 4.11Å; L2187-V2189 HydrophobicContact CG-CG2 4.12Å; L2187-V2203 HydrophobicContact CD2-CG1 4.19Å; L2187-F2211 HydrophobicContact CD2-CB 3.91Å; L2187-F2211 HydrophobicContact CD2-CD1 3.88Å; L2187-F2211 HydrophobicContact CD2-CD2 3.42Å; L2187-F2211 VanDerWaalsContact CD2-CD2 3.42Å; L2187-F2211 HydrophobicContact CD2-CE1 4.23Å; L2187-F2211 HydrophobicContact CD2-CE2 3.81Å; L2187-F2211 HydrophobicContact CD2-CG 3.46Å; L2187-F2211 VanDerWaalsContact CD2-CG 3.46Å; L2187-F2211 HydrophobicContact CD2-CZ 4.2Å; L2187-I2227 HydrophobicContact CD1-CG2 3.77Å; L2187-Y2229 HydrophobicContact CB-CD2 3.95Å; L2187-Y2229 HydrophobicContact CB-CE2 3.9Å; L2187-Y2229 HydrophobicContact CD1-CD2 4.19Å |
| 2188 | T | 91.7 | Very high | 81.6 | Confident | 58 Ų | 58 | 56 Ų | 56 | 36% | 0.356 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 126.3 | 173.6 | -55.9 | 0 | 0 | 0 | 0 | 109.3 | L2186 I2227 L2228 | L2186-T2188 PolarHBondContact O-N 2.64Å; T2188-I2227 WeakPolarHBondContact O-CA 3.3Å; T2188-L2228 PolarHBondContact N-O 2.94Å; T2188-L2228 PolarHBondContact O-N 3.33Å |
| 2189 | V | 93.4 | Very high | 81 | Confident | 23 Ų | 23 | 58 Ų | 58 | 14% | 0.139 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 110.7 | 175.1 | -173.6 | 0 | 0 | 0 | 0 | 109.6 | F2175 L2187 V2201 V2203 V2213 I2225 H2226 I2227 | F2175-V2189 HydrophobicContact CZ-CG1 4.31Å; L2187-V2189 HydrophobicContact CD1-CG2 4.11Å; L2187-V2189 HydrophobicContact CG-CG2 4.12Å; V2189-V2201 HydrophobicContact CB-CG1 4.32Å; V2189-V2201 HydrophobicContact CG1-CG1 3.96Å; V2189-V2203 HydrophobicContact CB-CG2 3.88Å; V2189-V2203 HydrophobicContact CG2-CG2 3.87Å; V2189-V2213 HydrophobicContact CG1-CG1 4.03Å; V2189-V2213 HydrophobicContact CG1-CG2 4.44Å; V2189-V2213 HydrophobicContact CG2-CG2 4.15Å; V2189-I2225 HydrophobicContact CG1-CG2 4.33Å; V2189-H2226 WeakPolarHBondContact CA-O 3.19Å; V2189-I2227 HydrophobicContact CG1-CG1 4.46Å; V2189-I2227 HydrophobicContact CG2-CG2 4.47Å |
| 2190 | G | 91.1 | Very high | 80.9 | Confident | 30 Ų | 30 | 61.3 Ų | 61.3 | 31% | 0.309 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 134.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | I2225 H2226 | G2190-I2225 CarbonylContact O-C 3.59Å; G2190-H2226 PolarHBondContact N-O 2.96Å; G2190-H2226 PolarHBondContact O-N 3.05Å |
| 2191 | V | 91.4 | Very high | 81.4 | Confident | 6 Ų | 6 | 60.9 Ų | 60.9 | 4% | 0.036 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 128.9 | 171.9 | 178.3 | 0 | 0 | 0 | 0 | 107.8 | P2197 G2198 V2201 Y2215 V2217 C2223 I2225 | V2191-P2197 CarbonylContact O-C 3.33Å; V2191-P2197 WeakPolarHBondContact O-CA 3.4Å; V2191-G2198 PolarHBondContact O-N 2.81Å; V2191-V2201 HydrophobicContact CB-CG2 3.74Å; V2191-V2201 HydrophobicContact CG2-CG1 4.35Å; V2191-V2201 HydrophobicContact CG2-CG2 3.56Å; V2191-Y2215 HydrophobicContact CG1-CD2 3.89Å; V2191-Y2215 HydrophobicContact CG1-CE2 4.39Å; V2191-Y2215 HydrophobicContact CG1-CG 4.47Å; V2191-Y2215 HydrophobicContact CG2-CD2 4.19Å; V2191-Y2215 HydrophobicContact CG2-CG 3.94Å; V2191-V2217 HydrophobicContact CG1-CG1 3.7Å; V2191-C2223 VanDerWaalsContact CG1-SG 3.57Å; V2191-I2225 HydrophobicContact CG1-CG1 4.5Å; V2191-I2225 HydrophobicContact CG2-CG1 4.22Å; V2191-I2225 HydrophobicContact CG2-CG2 4.23Å |
| 2192 | M | 83.6 | Confident | 81.8 | Confident | 95 Ų | 95 | 58.1 Ų | 58.1 | 47% | 0.468 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 118.8 | -175.6 | -163.4 | 179.6 | -59.7 | 0 | 0 | 110.8 | C2223 F2224 | M2192-C2223 CarbonylContact O-C 3.58Å; M2192-F2224 PolarHBondContact N-O 3.36Å; M2192-F2224 PolarHBondContact O-N 3.21Å |
| 2193 | T | 82.4 | Confident | 82.2 | Confident | 18 Ų | 18 | 60.8 Ų | 60.8 | 11% | 0.11 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 167.4 | 170.4 | 72.7 | 0 | 0 | 0 | 0 | 110.5 | K2195 G2196 V2217 I2243 | T2193-K2195 PolarHBondContact O-N 2.92Å; T2193-K2195 PolarHBondContact OG1-N 2.78Å; T2193-G2196 PolarHBondContact N-O 3.06Å; T2193-G2196 PolarHBondContact O-N 2.72Å; T2193-G2196 PolarHBondContact OG1-N 3Å; T2193-G2196 PolarHBondContact OG1-O 3.06Å; T2193-V2217 HydrophobicContact CG2-CB 4.16Å; T2193-V2217 HydrophobicContact CG2-CG1 3.67Å; T2193-I2243 HydrophobicContact CG2-CD1 4.2Å |
| 2194 | H | 73.4 | Confident | 82.7 | Confident | 109 Ų | 109 | 65.2 Ų | 65.2 | 51% | 0.505 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -7.5 | 170 | 70.2 | -81.9 | 0 | 0 | 0 | 115.5 | R2220 T2222 | H2194-R2220 PolarHBondContact CE1-O 2.95Å; H2194-T2222 PolarHBondContact N-O 2.94Å |
| 2195 | K | 73 | Confident | 83.3 | Confident | 144 Ų | 144 | 65.8 Ų | 65.8 | 63% | 0.626 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -9.2 | 172.3 | -66.5 | -163.5 | -169.9 | 163.6 | 0 | 115 | T2193 E2219 | T2193-K2195 PolarHBondContact O-N 2.92Å; T2193-K2195 PolarHBondContact OG1-N 2.78Å; K2195-E2219 WeakPolarHBondContact CD-OE2 3.34Å; K2195-E2219 WeakPolarHBondContact CE-OE2 3.49Å; K2195-E2219 IonicContact NZ-OE1 2.96Å; K2195-E2219 PolarHBondContact NZ-OE1 2.9Å; K2195-E2219 IonicContact NZ-OE2 2.72Å; K2195-E2219 PolarHBondContact NZ-OE2 2.81Å |
| 2196 | G | 76.8 | Confident | 83.1 | Confident | 21 Ų | 21 | 68.5 Ų | 68.5 | 22% | 0.216 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 140.3 | -173.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T2193 | T2193-G2196 PolarHBondContact N-O 3.06Å; T2193-G2196 PolarHBondContact O-N 2.72Å; T2193-G2196 PolarHBondContact OG1-N 3Å; T2193-G2196 PolarHBondContact OG1-O 3.06Å |
| 2197 | P | 78.9 | Confident | 82.2 | Confident | 110 Ų | 110 | 64.7 Ų | 64.7 | 71% | 0.714 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 151 | -179.4 | 25.3 | -34.6 | 0 | 0 | 0 | 112.6 | V2191 | V2191-P2197 CarbonylContact O-C 3.33Å; V2191-P2197 WeakPolarHBondContact O-CA 3.4Å |
| 2198 | G | 72.5 | Confident | 81.2 | Confident | 15 Ų | 15 | 71.4 Ų | 71.4 | 16% | 0.155 | 38% | 0.38 | C | S | . | . | trans | -67 | 153.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V2191 E2200 | V2191-G2198 PolarHBondContact O-N 2.81Å; G2198-E2200 VanDerWaalsContact C-N 3.31Å; G2198-E2200 PolarHBondContact O-N 2.87Å | ||
| 2199 | D | 79 | Confident | 80.3 | Confident | 72 Ų | 72 | 69.4 Ų | 69.4 | 39% | 0.385 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -67.1 | -30.2 | -171.7 | -55.7 | -97.3 | 0 | 0 | 0 | 113.6 | M2216 V2217 R2218 | D2199-M2216 PolarHBondContact N-O 2.88Å; D2199-M2216 VanDerWaalsContact N-O 3.1Å; D2199-V2217 WeakPolarHBondContact OD2-CA 3.48Å; D2199-R2218 HydrophobicContact CB-CG 4.36Å; D2199-R2218 VanDerWaalsContact CG-CG 3.45Å; D2199-R2218 WeakPolarHBondContact OD1-CD 3.42Å; D2199-R2218 WeakPolarHBondContact OD1-CG 3.29Å; D2199-R2218 IonicContact OD1-CZ 3.16Å; D2199-R2218 VanDerWaalsContact OD1-CZ 3.24Å; D2199-R2218 IonicContact OD1-NE 2.7Å; D2199-R2218 PolarHBondContact OD1-NE 2.91Å; D2199-R2218 IonicContact OD1-NH1 3.23Å; D2199-R2218 PolarHBondContact OD1-NH1 2.91Å; D2199-R2218 WeakPolarHBondContact OD2-CB 3.32Å; D2199-R2218 WeakPolarHBondContact OD2-CG 3.35Å; D2199-R2218 PolarHBondContact OD2-N 2.99Å |
| 2200 | E | 85.1 | Confident | 79.8 | Confident | 71 Ų | 71 | 70.7 Ų | 70.7 | 33% | 0.332 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 137.7 | -179.2 | -173.4 | 173.5 | -176.5 | 0 | 0 | 111.3 | H2172 G2198 L2202 Y2215 M2216 | H2172-E2200 IonicContact NE2-OE2 2.69Å; G2198-E2200 VanDerWaalsContact C-N 3.31Å; G2198-E2200 PolarHBondContact O-N 2.87Å; E2200-L2202 HydrophobicContact CG-CG 4.39Å; E2200-L2202 VanDerWaalsContact OE1-CD1 3.26Å; E2200-L2202 WeakPolarHBondContact OE1-CD1 3.12Å; E2200-Y2215 CarbonylContact O-C 3.6Å; E2200-Y2215 VanDerWaalsContact O-CA 3.22Å; E2200-Y2215 WeakPolarHBondContact O-CA 3.47Å; E2200-Y2215 WeakPolarHBondContact O-CB 3.33Å; E2200-M2216 HydrophobicContact CB-CB 4.03Å; E2200-M2216 PolarHBondContact N-O 3.4Å; E2200-M2216 PolarHBondContact O-N 2.82Å |
| 2201 | V | 90.3 | Very high | 79.8 | Confident | 52 Ų | 52 | 71.2 Ų | 71.2 | 32% | 0.315 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 108 | 171.6 | -172.5 | 0 | 0 | 0 | 0 | 109 | V2189 V2191 V2203 V2213 | V2189-V2201 HydrophobicContact CB-CG1 4.32Å; V2189-V2201 HydrophobicContact CG1-CG1 3.96Å; V2191-V2201 HydrophobicContact CB-CG2 3.74Å; V2191-V2201 HydrophobicContact CG2-CG1 4.35Å; V2191-V2201 HydrophobicContact CG2-CG2 3.56Å; V2201-V2203 HydrophobicContact CG1-CG2 4.33Å; V2201-V2213 HydrophobicContact CG1-CG1 4.27Å |
| 2202 | L | 87.2 | Confident | 79.8 | Confident | 94 Ų | 94 | 73.5 Ų | 73.5 | 49% | 0.492 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 113.7 | 175.9 | -79.1 | 171.3 | 0 | 0 | 0 | 109.8 | E2200 V2213 N2214 | E2200-L2202 HydrophobicContact CG-CG 4.39Å; E2200-L2202 VanDerWaalsContact OE1-CD1 3.26Å; E2200-L2202 WeakPolarHBondContact OE1-CD1 3.12Å; L2202-V2213 CarbonylContact O-C 3.57Å; L2202-V2213 WeakPolarHBondContact O-CA 3.22Å; L2202-N2214 HydrophobicContact CB-CB 4.37Å; L2202-N2214 PolarHBondContact N-O 2.77Å; L2202-N2214 PolarHBondContact O-N 3.33Å |
| 2203 | V | 88.9 | Confident | 80.3 | Confident | 64 Ų | 64 | 69 Ų | 69 | 39% | 0.388 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 110.2 | 172.5 | -173.7 | 0 | 0 | 0 | 0 | 108.7 | L2187 V2189 V2201 F2211 V2213 | L2187-V2203 HydrophobicContact CD2-CG1 4.19Å; V2189-V2203 HydrophobicContact CB-CG2 3.88Å; V2189-V2203 HydrophobicContact CG2-CG2 3.87Å; V2201-V2203 HydrophobicContact CG1-CG2 4.33Å; V2203-F2211 HydrophobicContact CG1-CB 4.14Å; V2203-F2211 HydrophobicContact CG1-CD1 3.94Å; V2203-F2211 HydrophobicContact CG1-CG 4.37Å; V2203-V2213 HydrophobicContact CG1-CG2 4.37Å; V2203-V2213 HydrophobicContact CG2-CG2 4.25Å |
| 2204 | K | 83.9 | Confident | 80.7 | Confident | 133 Ų | 133 | 70 Ų | 70 | 58% | 0.578 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 120.6 | 177.4 | -178 | -178.6 | 178 | -173.6 | 0 | 110 | F2211 I2212 | K2204-F2211 CarbonylContact O-C 3.49Å; K2204-F2211 VanDerWaalsContact O-CA 3.29Å; K2204-F2211 WeakPolarHBondContact O-CA 3.38Å; K2204-I2212 PolarHBondContact N-O 2.85Å; K2204-I2212 PolarHBondContact O-N 3.22Å |
| 2205 | H | 78 | Confident | 81.5 | Confident | 88 Ų | 88 | 64.9 Ų | 64.9 | 41% | 0.407 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 138.7 | 168 | -172.1 | -126.4 | 0 | 0 | 0 | 110.4 | G2209 N2210 F2211 | H2205-G2209 WeakPolarHBondContact NE2-CA 3.32Å; H2205-G2209 PolarHBondContact NE2-N 3.47Å; H2205-N2210 PolarHBondContact CD2-O 3.44Å; H2205-F2211 HydrophobicContact CB-CD1 3.85Å; H2205-F2211 HydrophobicContact CB-CE1 3.8Å; H2205-F2211 AromaticContact CD2-CD1 3.76Å; H2205-F2211 AromaticContact CD2-CE1 3.42Å; H2205-F2211 VanDerWaalsContact CD2-CE1 3.42Å; H2205-F2211 WeakPolarHBondContact CD2-CE1 3.49Å; H2205-F2211 AromaticContact CD2-CE2 3.96Å; H2205-F2211 AromaticContact CD2-CZ 3.53Å; H2205-F2211 AromaticContact CG-CE1 3.91Å |
| 2206 | N | 75.4 | Confident | 82.2 | Confident | 98 Ų | 98 | 59.9 Ų | 59.9 | 52% | 0.524 | 32% | 0.32 | S | S | . | . | trans | -125.7 | 23.2 | -175.9 | -154.4 | 80.4 | 0 | 0 | 0 | 111.5 | N2210 I2212 | N2206-N2210 PolarHBondContact N-O 2.77Å; N2206-I2212 HydrophobicContact CB-CD1 4.37Å; N2206-I2212 HydrophobicContact CB-CG1 4.31Å | ||
| 2207 | G | 61.1 | Low | 82.5 | Confident | 27 Ų | 27 | 58.9 Ų | 58.9 | 28% | 0.278 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 85.1 | 159.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G2209 N2210 | G2207-G2209 PolarHBondContact O-N 2.77Å; G2207-N2210 WeakPolarHBondContact O-CB 3.46Å; G2207-N2210 PolarHBondContact O-N 3.27Å |
| 2208 | R | 69.1 | Low | 82.3 | Confident | 172 Ų | 172 | 60.2 Ų | 60.2 | 65% | 0.649 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 48.5 | 171 | -46.1 | -179.2 | -159.1 | -141.7 | -1 | 113.8 | S2180 N2210 | S2180-R2208 WeakPolarHBondContact CB-O 3.26Å; R2208-N2210 PolarHBondContact O-N 2.81Å; R2208-N2210 PolarHBondContact O-ND2 3.32Å |
| 2209 | G | 72.8 | Confident | 82.2 | Confident | 15 Ų | 15 | 63.3 Ų | 63.3 | 16% | 0.155 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 8.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | C2179 H2205 G2207 F2211 | C2179-G2209 WeakPolarHBondContact CA-O 3.5Å; C2179-G2209 WeakPolarHBondContact CB-O 3.45Å; C2179-G2209 PolarHBondContact N-O 2.77Å; H2205-G2209 WeakPolarHBondContact NE2-CA 3.32Å; H2205-G2209 PolarHBondContact NE2-N 3.47Å; G2207-G2209 PolarHBondContact O-N 2.77Å; G2209-F2211 VanDerWaalsContact O-CD2 3.31Å; G2209-F2211 WeakPolarHBondContact O-CD2 3.17Å; G2209-F2211 VanDerWaalsContact O-CE2 3.31Å; G2209-F2211 WeakPolarHBondContact O-CE2 3.17Å |
| 2210 | N | 82.8 | Confident | 81.9 | Confident | 50 Ų | 50 | 68.1 Ų | 68.1 | 27% | 0.267 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 137.8 | 175.9 | -85.5 | -99.7 | 0 | 0 | 0 | 111.2 | V2177 D2178 H2205 N2206 G2207 R2208 | V2177-N2210 WeakPolarHBondContact O-CA 3.44Å; D2178-N2210 WeakPolarHBondContact CB-OD1 3.29Å; D2178-N2210 PolarHBondContact OD1-ND2 3.23Å; H2205-N2210 PolarHBondContact CD2-O 3.44Å; N2206-N2210 PolarHBondContact N-O 2.77Å; G2207-N2210 WeakPolarHBondContact O-CB 3.46Å; G2207-N2210 PolarHBondContact O-N 3.27Å; R2208-N2210 PolarHBondContact O-N 2.81Å; R2208-N2210 PolarHBondContact O-ND2 3.32Å |
| 2211 | F | 90.2 | Very high | 81.6 | Confident | 41 Ų | 41 | 65.8 Ų | 65.8 | 18% | 0.18 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 140.2 | 179.8 | -58.4 | -98.9 | 0 | 0 | 0 | 109.9 | S2176 V2177 C2179 L2187 V2203 K2204 H2205 G2209 | S2176-F2211 CarbonylContact C-O 3.51Å; S2176-F2211 WeakPolarHBondContact CA-O 3.35Å; V2177-F2211 HydrophobicContact CB-CB 4.45Å; V2177-F2211 PolarHBondContact N-O 2.91Å; V2177-F2211 PolarHBondContact O-N 3.31Å; C2179-F2211 HydrophobicContact CB-CE2 4.29Å; L2187-F2211 HydrophobicContact CD2-CB 3.91Å; L2187-F2211 HydrophobicContact CD2-CD1 3.88Å; L2187-F2211 HydrophobicContact CD2-CD2 3.42Å; L2187-F2211 VanDerWaalsContact CD2-CD2 3.42Å; L2187-F2211 HydrophobicContact CD2-CE1 4.23Å; L2187-F2211 HydrophobicContact CD2-CE2 3.81Å; L2187-F2211 HydrophobicContact CD2-CG 3.46Å; L2187-F2211 VanDerWaalsContact CD2-CG 3.46Å; L2187-F2211 HydrophobicContact CD2-CZ 4.2Å; V2203-F2211 HydrophobicContact CG1-CB 4.14Å; V2203-F2211 HydrophobicContact CG1-CD1 3.94Å; V2203-F2211 HydrophobicContact CG1-CG 4.37Å; K2204-F2211 CarbonylContact O-C 3.49Å; K2204-F2211 VanDerWaalsContact O-CA 3.29Å; K2204-F2211 WeakPolarHBondContact O-CA 3.38Å; H2205-F2211 HydrophobicContact CB-CD1 3.85Å; H2205-F2211 HydrophobicContact CB-CE1 3.8Å; H2205-F2211 AromaticContact CD2-CD1 3.76Å; H2205-F2211 AromaticContact CD2-CE1 3.42Å; H2205-F2211 VanDerWaalsContact CD2-CE1 3.42Å; H2205-F2211 WeakPolarHBondContact CD2-CE1 3.49Å; H2205-F2211 AromaticContact CD2-CE2 3.96Å; H2205-F2211 AromaticContact CD2-CZ 3.53Å; H2205-F2211 AromaticContact CG-CE1 3.91Å; G2209-F2211 VanDerWaalsContact O-CD2 3.31Å; G2209-F2211 WeakPolarHBondContact O-CD2 3.17Å; G2209-F2211 VanDerWaalsContact O-CE2 3.31Å; G2209-F2211 WeakPolarHBondContact O-CE2 3.17Å |
| 2212 | I | 91.8 | Very high | 81.1 | Confident | 55 Ų | 55 | 65.2 Ų | 65.2 | 28% | 0.282 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 118.2 | 168.4 | -60.4 | 175.6 | 0 | 0 | 0 | 107.1 | T2174 K2204 N2206 | T2174-I2212 HydrophobicContact CG2-CG2 3.64Å; K2204-I2212 PolarHBondContact N-O 2.85Å; K2204-I2212 PolarHBondContact O-N 3.22Å; N2206-I2212 HydrophobicContact CB-CD1 4.37Å; N2206-I2212 HydrophobicContact CB-CG1 4.31Å |
| 2213 | V | 93.4 | Very high | 81 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 128.1 | 171.5 | -176 | 0 | 0 | 0 | 0 | 108.7 | T2174 F2175 V2177 V2189 V2201 L2202 V2203 | T2174-V2213 WeakPolarHBondContact CA-O 3.15Å; F2175-V2213 HydrophobicContact CD1-CB 4.19Å; F2175-V2213 HydrophobicContact CD1-CG1 4.42Å; F2175-V2213 HydrophobicContact CD2-CB 4Å; F2175-V2213 HydrophobicContact CD2-CG2 4.17Å; F2175-V2213 HydrophobicContact CE1-CB 3.8Å; F2175-V2213 HydrophobicContact CE1-CG1 3.66Å; F2175-V2213 HydrophobicContact CE2-CB 3.58Å; F2175-V2213 HydrophobicContact CE2-CG1 4.12Å; F2175-V2213 HydrophobicContact CE2-CG2 3.52Å; F2175-V2213 HydrophobicContact CG-CB 4.3Å; F2175-V2213 HydrophobicContact CZ-CB 3.49Å; F2175-V2213 VanDerWaalsContact CZ-CB 3.49Å; F2175-V2213 HydrophobicContact CZ-CG1 3.49Å; F2175-V2213 VanDerWaalsContact CZ-CG1 3.49Å; F2175-V2213 HydrophobicContact CZ-CG2 3.76Å; F2175-V2213 PolarHBondContact N-O 3.18Å; F2175-V2213 PolarHBondContact O-N 2.89Å; V2177-V2213 HydrophobicContact CG2-CG2 3.97Å; V2189-V2213 HydrophobicContact CG1-CG1 4.03Å; V2189-V2213 HydrophobicContact CG1-CG2 4.44Å; V2189-V2213 HydrophobicContact CG2-CG2 4.15Å; V2201-V2213 HydrophobicContact CG1-CG1 4.27Å; L2202-V2213 CarbonylContact O-C 3.57Å; L2202-V2213 WeakPolarHBondContact O-CA 3.22Å; V2203-V2213 HydrophobicContact CG1-CG2 4.37Å; V2203-V2213 HydrophobicContact CG2-CG2 4.25Å |
| 2214 | N | 90.9 | Very high | 81 | Confident | 40 Ų | 40 | 60.8 Ų | 60.8 | 21% | 0.214 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 136.5 | 162.9 | -64.1 | -77.8 | 0 | 0 | 0 | 108.1 | N2173 T2174 L2202 | N2173-N2214 WeakPolarHBondContact O-CA 3.48Å; T2174-N2214 WeakPolarHBondContact CB-OD1 3.45Å; T2174-N2214 VanDerWaalsContact CG2-OD1 3.31Å; T2174-N2214 WeakPolarHBondContact CG2-OD1 3.45Å; T2174-N2214 PolarHBondContact OG1-OD1 3.28Å; L2202-N2214 HydrophobicContact CB-CB 4.37Å; L2202-N2214 PolarHBondContact N-O 2.77Å; L2202-N2214 PolarHBondContact O-N 3.33Å |
| 2215 | Y | 91.6 | Very high | 81.4 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 151.9 | 173.9 | 71.4 | -87.1 | 0 | 0 | 0 | 112.3 | G2163 A2167 N2173 F2175 V2191 E2200 V2217 I2225 | G2163-Y2215 PolarHBondContact O-OH 2.87Å; A2167-Y2215 HydrophobicContact CB-CE2 4.31Å; A2167-Y2215 WeakPolarHBondContact CB-OH 3.31Å; N2173-Y2215 HydrophobicContact CB-CD1 3.89Å; N2173-Y2215 HydrophobicContact CB-CD2 4.2Å; N2173-Y2215 HydrophobicContact CB-CE1 3.4Å; N2173-Y2215 HydrophobicContact CB-CE2 3.73Å; N2173-Y2215 HydrophobicContact CB-CG 4.27Å; N2173-Y2215 PolarHBondContact N-O 3.21Å; N2173-Y2215 WeakPolarHBondContact O-CD1 3.39Å; N2173-Y2215 WeakPolarHBondContact O-CE1 3.39Å; N2173-Y2215 PolarHBondContact O-N 2.96Å; F2175-Y2215 HydrophobicContact CD1-CD1 4.13Å; F2175-Y2215 AromaticContact CD1-CE1 3.92Å; F2175-Y2215 HydrophobicContact CD1-CE1 3.92Å; F2175-Y2215 AromaticContact CE1-CD1 3.72Å; F2175-Y2215 HydrophobicContact CE1-CD1 3.72Å; F2175-Y2215 AromaticContact CE1-CE1 3.78Å; F2175-Y2215 HydrophobicContact CE1-CE1 3.78Å; V2191-Y2215 HydrophobicContact CG1-CD2 3.89Å; V2191-Y2215 HydrophobicContact CG1-CE2 4.39Å; V2191-Y2215 HydrophobicContact CG1-CG 4.47Å; V2191-Y2215 HydrophobicContact CG2-CD2 4.19Å; V2191-Y2215 HydrophobicContact CG2-CG 3.94Å; E2200-Y2215 CarbonylContact O-C 3.6Å; E2200-Y2215 VanDerWaalsContact O-CA 3.22Å; E2200-Y2215 WeakPolarHBondContact O-CA 3.47Å; E2200-Y2215 WeakPolarHBondContact O-CB 3.33Å; Y2215-V2217 HydrophobicContact CD2-CG1 4.35Å; Y2215-V2217 HydrophobicContact CD2-CG2 4.29Å; Y2215-V2217 HydrophobicContact CE2-CG2 4Å; Y2215-I2225 HydrophobicContact CD1-CD1 3.99Å; Y2215-I2225 HydrophobicContact CE1-CD1 3.33Å; Y2215-I2225 HydrophobicContact CE2-CD1 4.11Å; Y2215-I2225 VanDerWaalsContact CZ-CD1 3.41Å |
| 2216 | M | 87.6 | Confident | 82.1 | Confident | 40 Ų | 40 | 52.6 Ų | 52.6 | 20% | 0.197 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 139.5 | 172.8 | -157.5 | -175.4 | -52.6 | 0 | 0 | 110.7 | H2172 D2199 E2200 | H2172-M2216 WeakPolarHBondContact NE2-CE 3.32Å; D2199-M2216 PolarHBondContact N-O 2.88Å; D2199-M2216 VanDerWaalsContact N-O 3.1Å; E2200-M2216 HydrophobicContact CB-CB 4.03Å; E2200-M2216 PolarHBondContact N-O 3.4Å; E2200-M2216 PolarHBondContact O-N 2.82Å |
| 2217 | V | 83.2 | Confident | 83 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -135.8 | 126.1 | 175.1 | -80.8 | 0 | 0 | 0 | 0 | 107.8 | A2169 N2170 V2191 T2193 D2199 Y2215 I2243 | A2169-V2217 CarbonylContact C-O 3.59Å; A2169-V2217 VanDerWaalsContact CA-O 3.24Å; A2169-V2217 WeakPolarHBondContact CA-O 3.21Å; N2170-V2217 PolarHBondContact N-O 2.86Å; V2191-V2217 HydrophobicContact CG1-CG1 3.7Å; T2193-V2217 HydrophobicContact CG2-CB 4.16Å; T2193-V2217 HydrophobicContact CG2-CG1 3.67Å; D2199-V2217 WeakPolarHBondContact OD2-CA 3.48Å; Y2215-V2217 HydrophobicContact CD2-CG1 4.35Å; Y2215-V2217 HydrophobicContact CD2-CG2 4.29Å; Y2215-V2217 HydrophobicContact CE2-CG2 4Å; V2217-I2243 HydrophobicContact CB-CD1 3.91Å; V2217-I2243 HydrophobicContact CG1-CD1 4.44Å; V2217-I2243 HydrophobicContact CG2-CD1 3.61Å; V2217-I2243 HydrophobicContact CG2-CG1 3.99Å; V2217-I2243 HydrophobicContact CG2-CG2 3.97Å | ||
| 2218 | R | 73.8 | Confident | 84.5 | Confident | 138 Ų | 138 | 48.4 Ų | 48.4 | 52% | 0.521 | 22% | 0.222 | S | C | . | . | trans | -79.2 | -15.8 | -169.6 | -80 | -178.8 | -175.3 | 131.4 | -5.8 | 115.7 | K908 N2170 D2199 | K908-R2218 PolarHBondContact NZ-O 2.84Å; N2170-R2218 PolarHBondContact ND2-O 3.2Å; N2170-R2218 VanDerWaalsContact OD1-CA 3.32Å; N2170-R2218 WeakPolarHBondContact OD1-CA 3.4Å; N2170-R2218 WeakPolarHBondContact OD1-CG 3.2Å; N2170-R2218 PolarHBondContact OD1-O 3Å; D2199-R2218 HydrophobicContact CB-CG 4.36Å; D2199-R2218 VanDerWaalsContact CG-CG 3.45Å; D2199-R2218 WeakPolarHBondContact OD1-CD 3.42Å; D2199-R2218 WeakPolarHBondContact OD1-CG 3.29Å; D2199-R2218 IonicContact OD1-CZ 3.16Å; D2199-R2218 VanDerWaalsContact OD1-CZ 3.24Å; D2199-R2218 IonicContact OD1-NE 2.7Å; D2199-R2218 PolarHBondContact OD1-NE 2.91Å; D2199-R2218 IonicContact OD1-NH1 3.23Å; D2199-R2218 PolarHBondContact OD1-NH1 2.91Å; D2199-R2218 WeakPolarHBondContact OD2-CB 3.32Å; D2199-R2218 WeakPolarHBondContact OD2-CG 3.35Å; D2199-R2218 PolarHBondContact OD2-N 2.99Å | ||
| 2219 | E | 69.9 | Low | 85.4 | Confident | 80 Ų | 80 | 40.9 Ų | 40.9 | 37% | 0.374 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -125.3 | 159.7 | -168.3 | -58.7 | -165.2 | 160 | 0 | 0 | 113.4 | K2195 I2243 | K2195-E2219 WeakPolarHBondContact CD-OE2 3.34Å; K2195-E2219 WeakPolarHBondContact CE-OE2 3.49Å; K2195-E2219 IonicContact NZ-OE1 2.96Å; K2195-E2219 PolarHBondContact NZ-OE1 2.9Å; K2195-E2219 IonicContact NZ-OE2 2.72Å; K2195-E2219 PolarHBondContact NZ-OE2 2.81Å; E2219-I2243 WeakPolarHBondContact O-CD1 3.08Å; E2219-I2243 VanDerWaalsContact O-CG2 3.3Å; E2219-I2243 WeakPolarHBondContact O-CG2 3.38Å |
| 2220 | R | 72.6 | Confident | 86 | Confident | 173 Ų | 173 | 40.4 Ų | 40.4 | 65% | 0.653 | 19% | 0.189 | S | C | * | . | trans | -86.8 | 159.1 | 176.6 | -70 | -167 | -169.5 | 169.5 | 5.3 | 112.6 | A2169 H2194 I2243 | A2169-R2220 HydrophobicContact CB-CG 4.3Å; H2194-R2220 PolarHBondContact CE1-O 2.95Å; R2220-I2243 CarbonylContact C-O 3.53Å; R2220-I2243 WeakPolarHBondContact CA-O 3.27Å; R2220-I2243 VanDerWaalsContact CB-O 3.22Å; R2220-I2243 WeakPolarHBondContact CB-O 3.31Å | ||
| 2221 | G | 78.7 | Confident | 86 | Confident | 21 Ų | 21 | 46 Ų | 46 | 22% | 0.216 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 112.6 | -159.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | C2223 I2243 | G2221-C2223 PolarHBondContact O-N 2.99Å; G2221-I2243 PolarHBondContact N-O 3.46Å; G2221-I2243 WeakPolarHBondContact O-CG1 3.17Å; G2221-I2243 PolarHBondContact O-N 2.76Å |
| 2222 | T | 81.4 | Confident | 85.9 | Confident | 40 Ų | 40 | 50.3 Ų | 50.3 | 25% | 0.245 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 130 | -172.7 | -44.4 | 0 | 0 | 0 | 0 | 112.8 | H2194 F2224 M2240 Q2242 | H2194-T2222 PolarHBondContact N-O 2.94Å; T2222-F2224 HydrophobicContact CG2-CD2 4.41Å; T2222-F2224 HydrophobicContact CG2-CE1 4.4Å; T2222-F2224 HydrophobicContact CG2-CE2 3.71Å; T2222-F2224 HydrophobicContact CG2-CZ 3.7Å; T2222-M2240 HydrophobicContact CG2-CG 3.55Å; T2222-M2240 HydrophobicContact CG2-SD 4.06Å; T2222-Q2242 PolarHBondContact OG1-NE2 2.89Å |
| 2223 | C | 83.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 151.2 | 169.6 | -162.8 | 0 | 0 | 0 | 0 | 110.3 | V2191 M2192 G2221 M2240 I2241 I2243 | V2191-C2223 VanDerWaalsContact CG1-SG 3.57Å; M2192-C2223 CarbonylContact O-C 3.58Å; G2221-C2223 PolarHBondContact O-N 2.99Å; C2223-M2240 WeakPolarHBondContact O-CA 3.17Å; C2223-I2241 HydrophobicContact CB-CB 4.4Å; C2223-I2241 PolarHBondContact N-O 3.14Å; C2223-I2241 PolarHBondContact O-N 3.48Å; C2223-I2243 HydrophobicContact CB-CD1 3.75Å; C2223-I2243 HydrophobicContact CB-CG1 3.75Å |
| 2224 | F | 88.8 | Confident | 85.8 | Confident | 65 Ų | 65 | 51.9 Ų | 51.9 | 29% | 0.285 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 122 | 172.7 | -60 | -90.9 | 0 | 0 | 0 | 108.3 | M2192 T2222 F2239 M2240 | M2192-F2224 PolarHBondContact N-O 3.36Å; M2192-F2224 PolarHBondContact O-N 3.21Å; T2222-F2224 HydrophobicContact CG2-CD2 4.41Å; T2222-F2224 HydrophobicContact CG2-CE1 4.4Å; T2222-F2224 HydrophobicContact CG2-CE2 3.71Å; T2222-F2224 HydrophobicContact CG2-CZ 3.7Å; F2224-F2239 WeakPolarHBondContact CA-O 3.2Å; F2224-M2240 HydrophobicContact CD1-CB 4.24Å; F2224-M2240 HydrophobicContact CD1-CG 4.15Å; F2224-M2240 HydrophobicContact CE1-CB 4.17Å; F2224-M2240 HydrophobicContact CE1-CE 4.06Å; F2224-M2240 HydrophobicContact CE1-CG 3.71Å; F2224-M2240 HydrophobicContact CE1-SD 4.37Å; F2224-M2240 HydrophobicContact CZ-CG 4.2Å |
| 2225 | I | 92.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 104.5 | 174.4 | -54.2 | -178.6 | 0 | 0 | 0 | 108.5 | F2175 V2189 G2190 V2191 Y2215 I2227 P2238 F2239 I2241 | F2175-I2225 HydrophobicContact CE1-CD1 3.91Å; F2175-I2225 HydrophobicContact CE1-CG2 4.1Å; F2175-I2225 HydrophobicContact CZ-CG2 3.81Å; V2189-I2225 HydrophobicContact CG1-CG2 4.33Å; G2190-I2225 CarbonylContact O-C 3.59Å; V2191-I2225 HydrophobicContact CG1-CG1 4.5Å; V2191-I2225 HydrophobicContact CG2-CG1 4.22Å; V2191-I2225 HydrophobicContact CG2-CG2 4.23Å; Y2215-I2225 HydrophobicContact CD1-CD1 3.99Å; Y2215-I2225 HydrophobicContact CE1-CD1 3.33Å; Y2215-I2225 HydrophobicContact CE2-CD1 4.11Å; Y2215-I2225 VanDerWaalsContact CZ-CD1 3.41Å; I2225-I2227 HydrophobicContact CG2-CD1 4.38Å; I2225-I2227 HydrophobicContact CG2-CG1 3.91Å; I2225-I2227 PolarHBondContact O-N 3.22Å; I2225-P2238 CarbonylContact O-C 3.54Å; I2225-P2238 VanDerWaalsContact O-CA 3.29Å; I2225-P2238 WeakPolarHBondContact O-CA 3.4Å; I2225-F2239 HydrophobicContact CB-CB 4.3Å; I2225-F2239 PolarHBondContact N-O 3.16Å; I2225-F2239 PolarHBondContact O-N 2.73Å; I2225-I2241 HydrophobicContact CB-CD1 4.39Å; I2225-I2241 HydrophobicContact CD1-CD1 3.36Å; I2225-I2241 HydrophobicContact CG1-CD1 3.69Å |
| 2226 | H | 92.5 | Very high | 85.5 | Confident | 49 Ų | 49 | 55.8 Ų | 55.8 | 23% | 0.227 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 94.8 | 177.9 | -65.8 | -115.6 | 0 | 0 | 0 | 108.6 | V2189 G2190 L2228 H2233 | V2189-H2226 WeakPolarHBondContact CA-O 3.19Å; G2190-H2226 PolarHBondContact N-O 2.96Å; G2190-H2226 PolarHBondContact O-N 3.05Å; H2226-L2228 HydrophobicContact CB-CD1 4.07Å; H2226-H2233 AromaticContact ND1-CE1 3.57Å |
| 2227 | I | 94 | Very high | 85.6 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 119.3 | 167.5 | -50.5 | 174.6 | 0 | 0 | 0 | 107.7 | C2159 L2164 F2175 V2177 L2187 T2188 V2189 I2225 V2234 S2237 F2239 | C2159-I2227 HydrophobicContact CB-CD1 4.16Å; L2164-I2227 HydrophobicContact CD2-CD1 4.03Å; F2175-I2227 HydrophobicContact CD2-CD1 4.32Å; F2175-I2227 HydrophobicContact CE2-CD1 3.4Å; F2175-I2227 HydrophobicContact CE2-CG1 4.29Å; F2175-I2227 HydrophobicContact CZ-CD1 3.81Å; F2175-I2227 HydrophobicContact CZ-CG1 4.33Å; V2177-I2227 HydrophobicContact CG1-CG2 4.38Å; V2177-I2227 HydrophobicContact CG2-CD1 4.08Å; V2177-I2227 HydrophobicContact CG2-CG2 4.44Å; L2187-I2227 HydrophobicContact CD1-CG2 3.77Å; T2188-I2227 WeakPolarHBondContact O-CA 3.3Å; V2189-I2227 HydrophobicContact CG1-CG1 4.46Å; V2189-I2227 HydrophobicContact CG2-CG2 4.47Å; I2225-I2227 HydrophobicContact CG2-CD1 4.38Å; I2225-I2227 HydrophobicContact CG2-CG1 3.91Å; I2225-I2227 PolarHBondContact O-N 3.22Å; I2227-V2234 HydrophobicContact CB-CG2 3.68Å; I2227-V2234 HydrophobicContact CG2-CG1 4.12Å; I2227-V2234 HydrophobicContact CG2-CG2 3.65Å; I2227-V2234 PolarHBondContact O-N 2.81Å; I2227-S2237 PolarHBondContact N-OG 2.93Å; I2227-S2237 WeakPolarHBondContact O-CB 3.28Å; I2227-S2237 PolarHBondContact O-OG 2.68Å; I2227-F2239 HydrophobicContact CD1-CD2 4.08Å; I2227-F2239 HydrophobicContact CD1-CE2 3.78Å; I2227-F2239 HydrophobicContact CG1-CD2 4.48Å; I2227-F2239 HydrophobicContact CG1-CE2 4.42Å |
| 2228 | L | 92.7 | Very high | 85.8 | Confident | 38 Ų | 38 | 57.2 Ų | 57.2 | 20% | 0.199 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 146.8 | 173.1 | -57.3 | 91.3 | 0 | 0 | 0 | 109.7 | T2188 H2226 K2232 | T2188-L2228 PolarHBondContact N-O 2.94Å; T2188-L2228 PolarHBondContact O-N 3.33Å; H2226-L2228 HydrophobicContact CB-CD1 4.07Å; L2228-K2232 CarbonylContact C-O 3.51Å; L2228-K2232 WeakPolarHBondContact CA-O 3.24Å; L2228-K2232 WeakPolarHBondContact CB-O 3.17Å |
| 2229 | Y | 89 | Confident | 86.5 | Confident | 14 Ų | 14 | 52.2 Ų | 52.2 | 6% | 0.055 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 114.5 | 167.9 | -150.9 | -119.6 | 0 | 0 | 0 | 107.6 | V2157 C2179 A2182 G2183 D2185 L2187 K2232 | V2157-Y2229 HydrophobicContact CG2-CD1 3.76Å; V2157-Y2229 HydrophobicContact CG2-CD2 4.17Å; V2157-Y2229 HydrophobicContact CG2-CE1 4.39Å; V2157-Y2229 HydrophobicContact CG2-CG 3.65Å; C2179-Y2229 HydrophobicContact CB-CE1 4.47Å; C2179-Y2229 HydrophobicContact CB-CE2 3.89Å; C2179-Y2229 WeakPolarHBondContact SG-CE2 3.43Å; A2182-Y2229 HydrophobicContact CB-CD1 3.78Å; A2182-Y2229 HydrophobicContact CB-CE1 3.55Å; G2183-Y2229 WeakPolarHBondContact O-CE1 3.37Å; G2183-Y2229 PolarHBondContact O-OH 3.36Å; D2185-Y2229 HydrophobicContact CB-CD1 3.51Å; D2185-Y2229 HydrophobicContact CB-CD2 4.43Å; D2185-Y2229 HydrophobicContact CB-CE1 3.44Å; D2185-Y2229 VanDerWaalsContact CB-CE1 3.44Å; D2185-Y2229 HydrophobicContact CB-CE2 4.35Å; D2185-Y2229 HydrophobicContact CB-CG 4.01Å; D2185-Y2229 VanDerWaalsContact N-CZ 3.28Å; D2185-Y2229 PolarHBondContact N-OH 2.98Å; D2185-Y2229 WeakPolarHBondContact O-CE2 3.01Å; D2185-Y2229 VanDerWaalsContact O-CZ 3.23Å; D2185-Y2229 PolarHBondContact O-OH 2.72Å; L2187-Y2229 HydrophobicContact CB-CD2 3.95Å; L2187-Y2229 HydrophobicContact CB-CE2 3.9Å; L2187-Y2229 HydrophobicContact CD1-CD2 4.19Å; Y2229-K2232 PolarHBondContact N-O 3.07Å; Y2229-K2232 PolarHBondContact O-N 3.26Å |
| 2230 | G | 85.5 | Confident | 87.3 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | -137.4 | -156.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | D2185 L2186 K2232 | D2185-G2230 VanDerWaalsContact CG-N 3.35Å; D2185-G2230 WeakPolarHBondContact OD1-CA 3.4Å; D2185-G2230 PolarHBondContact OD1-N 3.09Å; L2186-G2230 PolarHBondContact O-N 3.2Å; G2230-K2232 VanDerWaalsContact C-N 3.29Å; G2230-K2232 PolarHBondContact O-N 3.26Å |
| 2231 | N | 83 | Confident | 87.9 | Confident | 166 Ų | 166 | 46.6 Ų | 46.6 | 89% | 0.888 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | 16.4 | 178.7 | -65.5 | -39.5 | 0 | 0 | 0 | 114.1 | ||
| 2232 | K | 87.3 | Confident | 87.9 | Confident | 132 Ų | 132 | 50.8 Ų | 50.8 | 57% | 0.574 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 136.4 | -176.2 | -68.9 | 175.3 | -175.4 | 166.3 | 0 | 111.9 | A2154 L2228 Y2229 G2230 | A2154-K2232 HydrophobicContact CB-CB 3.63Å; A2154-K2232 HydrophobicContact CB-CD 4.46Å; L2228-K2232 CarbonylContact C-O 3.51Å; L2228-K2232 WeakPolarHBondContact CA-O 3.24Å; L2228-K2232 WeakPolarHBondContact CB-O 3.17Å; Y2229-K2232 PolarHBondContact N-O 3.07Å; Y2229-K2232 PolarHBondContact O-N 3.26Å; G2230-K2232 VanDerWaalsContact C-N 3.29Å; G2230-K2232 PolarHBondContact O-N 3.26Å |
| 2233 | H | 90.7 | Very high | 87.3 | Confident | 85 Ų | 85 | 50.2 Ų | 50.2 | 39% | 0.394 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 136.9 | 167.9 | -79.9 | -90.3 | 0 | 0 | 0 | 111.2 | H2226 S2237 | H2226-H2233 AromaticContact ND1-CE1 3.57Å; H2233-S2237 PolarHBondContact ND1-OG 3.16Å |
| 2234 | V | 93.4 | Very high | 87.5 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 161.9 | 172.2 | -52.3 | 0 | 0 | 0 | 0 | 111 | A2154 V2157 I2227 G2236 S2237 F2239 | A2154-V2234 HydrophobicContact CB-CG1 4.34Å; V2157-V2234 HydrophobicContact CB-CB 4.03Å; V2157-V2234 HydrophobicContact CB-CG1 3.67Å; V2157-V2234 HydrophobicContact CG1-CB 4.23Å; V2157-V2234 HydrophobicContact CG1-CG1 3.83Å; V2157-V2234 HydrophobicContact CG2-CG1 4.02Å; I2227-V2234 HydrophobicContact CB-CG2 3.68Å; I2227-V2234 HydrophobicContact CG2-CG1 4.12Å; I2227-V2234 HydrophobicContact CG2-CG2 3.65Å; I2227-V2234 PolarHBondContact O-N 2.81Å; V2234-G2236 PolarHBondContact O-N 2.85Å; V2234-S2237 WeakPolarHBondContact O-CB 3.33Å; V2234-S2237 PolarHBondContact O-N 2.8Å; V2234-F2239 HydrophobicContact CG2-CE2 4.44Å |
| 2235 | P | 88.2 | Confident | 87.4 | Confident | 68 Ų | 68 | 52.1 Ų | 52.1 | 44% | 0.442 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 123.9 | 177.6 | -30 | 35 | 0 | 0 | 0 | 113.5 | A2154 A2155 S2237 F2239 | A2154-P2235 WeakPolarHBondContact O-CD 3.22Å; A2155-P2235 WeakPolarHBondContact O-CG 3.28Å; P2235-S2237 VanDerWaalsContact C-N 3.35Å; P2235-F2239 VanDerWaalsContact O-CZ 3.26Å; P2235-F2239 WeakPolarHBondContact O-CZ 3.35Å |
| 2236 | G | 85.9 | Confident | 87.1 | Confident | 54 Ų | 54 | 55 Ų | 55 | 56% | 0.557 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.6 | -10.5 | -177 | 0 | 0 | 0 | 0 | 0 | 115.4 | V2234 P2238 F2239 | V2234-G2236 PolarHBondContact O-N 2.85Å; G2236-P2238 CarbonylContact O-C 3.48Å; G2236-F2239 WeakPolarHBondContact O-CA 3.32Å; G2236-F2239 WeakPolarHBondContact O-CG 3.12Å; G2236-F2239 PolarHBondContact O-N 3.3Å |
| 2237 | S | 90.9 | Very high | 86.8 | Confident | 17 Ų | 17 | 55.4 Ų | 55.4 | 12% | 0.119 | 30% | 0.301 | C | S | . | . | trans | -84.8 | 140.1 | 178.1 | -175 | 0 | 0 | 0 | 0 | 112 | I2227 H2233 V2234 P2235 | I2227-S2237 PolarHBondContact N-OG 2.93Å; I2227-S2237 WeakPolarHBondContact O-CB 3.28Å; I2227-S2237 PolarHBondContact O-OG 2.68Å; H2233-S2237 PolarHBondContact ND1-OG 3.16Å; V2234-S2237 WeakPolarHBondContact O-CB 3.33Å; V2234-S2237 PolarHBondContact O-N 2.8Å; P2235-S2237 VanDerWaalsContact C-N 3.35Å | ||
| 2238 | P | 86.5 | Confident | 86.4 | Confident | 54 Ų | 54 | 58.8 Ų | 58.8 | 35% | 0.351 | 32% | 0.319 | S | S | . | . | S | Bend | cis | -74.7 | 129.3 | -4.1 | 30.9 | -33.1 | 0 | 0 | 0 | 111.8 | I2225 G2236 M2240 | I2225-P2238 CarbonylContact O-C 3.54Å; I2225-P2238 VanDerWaalsContact O-CA 3.29Å; I2225-P2238 WeakPolarHBondContact O-CA 3.4Å; G2236-P2238 CarbonylContact O-C 3.48Å; P2238-M2240 PolarHBondContact O-N 2.76Å |
| 2239 | F | 89.5 | Confident | 85.9 | Confident | 32 Ų | 32 | 60.2 Ų | 60.2 | 14% | 0.14 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 111.1 | -178.8 | -66.8 | -98.3 | 0 | 0 | 0 | 109.4 | C2159 L2164 F2224 I2225 I2227 V2234 P2235 G2236 I2241 | C2159-F2239 HydrophobicContact CB-CE2 4.21Å; C2159-F2239 HydrophobicContact CB-CZ 3.8Å; L2164-F2239 HydrophobicContact CB-CD1 4.14Å; L2164-F2239 HydrophobicContact CB-CE1 4.44Å; L2164-F2239 HydrophobicContact CD2-CB 4.35Å; L2164-F2239 HydrophobicContact CD2-CD1 4.04Å; L2164-F2239 HydrophobicContact CD2-CD2 3.86Å; L2164-F2239 HydrophobicContact CD2-CE1 4.3Å; L2164-F2239 HydrophobicContact CD2-CE2 4.15Å; L2164-F2239 HydrophobicContact CD2-CG 3.81Å; L2164-F2239 HydrophobicContact CD2-CZ 4.36Å; F2224-F2239 WeakPolarHBondContact CA-O 3.2Å; I2225-F2239 HydrophobicContact CB-CB 4.3Å; I2225-F2239 PolarHBondContact N-O 3.16Å; I2225-F2239 PolarHBondContact O-N 2.73Å; I2227-F2239 HydrophobicContact CD1-CD2 4.08Å; I2227-F2239 HydrophobicContact CD1-CE2 3.78Å; I2227-F2239 HydrophobicContact CG1-CD2 4.48Å; I2227-F2239 HydrophobicContact CG1-CE2 4.42Å; V2234-F2239 HydrophobicContact CG2-CE2 4.44Å; P2235-F2239 VanDerWaalsContact O-CZ 3.26Å; P2235-F2239 WeakPolarHBondContact O-CZ 3.35Å; G2236-F2239 WeakPolarHBondContact O-CA 3.32Å; G2236-F2239 WeakPolarHBondContact O-CG 3.12Å; G2236-F2239 PolarHBondContact O-N 3.3Å; F2239-I2241 HydrophobicContact CB-CD1 3.83Å; F2239-I2241 HydrophobicContact CB-CG1 4.38Å |
| 2240 | M | 87.3 | Confident | 85.7 | Confident | 133 Ų | 133 | 63.5 Ų | 63.5 | 66% | 0.655 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 117.1 | 175.4 | -167.5 | -164.4 | -48.2 | 0 | 0 | 109.9 | T2222 C2223 F2224 P2238 | T2222-M2240 HydrophobicContact CG2-CG 3.55Å; T2222-M2240 HydrophobicContact CG2-SD 4.06Å; C2223-M2240 WeakPolarHBondContact O-CA 3.17Å; F2224-M2240 HydrophobicContact CD1-CB 4.24Å; F2224-M2240 HydrophobicContact CD1-CG 4.15Å; F2224-M2240 HydrophobicContact CE1-CB 4.17Å; F2224-M2240 HydrophobicContact CE1-CE 4.06Å; F2224-M2240 HydrophobicContact CE1-CG 3.71Å; F2224-M2240 HydrophobicContact CE1-SD 4.37Å; F2224-M2240 HydrophobicContact CZ-CG 4.2Å; P2238-M2240 PolarHBondContact O-N 2.76Å |
| 2241 | I | 83.8 | Confident | 85.7 | Confident | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.015 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 140 | -171.1 | -66.9 | 144.2 | 0 | 0 | 0 | 109.2 | G2163 L2164 A2167 C2223 I2225 F2239 | G2163-I2241 WeakPolarHBondContact O-CD1 3.48Å; L2164-I2241 WeakPolarHBondContact O-CG1 3.45Å; A2167-I2241 HydrophobicContact CB-CG2 3.69Å; A2167-I2241 VanDerWaalsContact N-CG2 3.27Å; C2223-I2241 HydrophobicContact CB-CB 4.4Å; C2223-I2241 PolarHBondContact N-O 3.14Å; C2223-I2241 PolarHBondContact O-N 3.48Å; I2225-I2241 HydrophobicContact CB-CD1 4.39Å; I2225-I2241 HydrophobicContact CD1-CD1 3.36Å; I2225-I2241 HydrophobicContact CG1-CD1 3.69Å; F2239-I2241 HydrophobicContact CB-CD1 3.83Å; F2239-I2241 HydrophobicContact CB-CG1 4.38Å |
| 2242 | Q | 78.5 | Confident | 86 | Confident | 109 Ų | 109 | 59.8 Ų | 59.8 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 135.2 | 167.7 | -69 | -63 | -38.2 | 0 | 0 | 110.2 | A2167 T2222 | A2167-Q2242 PolarHBondContact N-O 2.98Å; T2222-Q2242 PolarHBondContact OG1-NE2 2.89Å |
| 2243 | I | 69.7 | Low | 85.8 | Confident | 28 Ų | 28 | 53.3 Ų | 53.3 | 14% | 0.144 | 30% | 0.304 | C | S | . | . | trans | -104.8 | 0 | 174.7 | -39.7 | 159.2 | 0 | 0 | 0 | 110.3 | A2167 A2169 T2193 V2217 E2219 R2220 G2221 C2223 | A2167-I2243 HydrophobicContact CB-CB 4.04Å; A2167-I2243 HydrophobicContact CB-CG1 3.73Å; A2167-I2243 HydrophobicContact CB-CG2 3.89Å; A2169-I2243 HydrophobicContact CB-CG2 3.68Å; T2193-I2243 HydrophobicContact CG2-CD1 4.2Å; V2217-I2243 HydrophobicContact CB-CD1 3.91Å; V2217-I2243 HydrophobicContact CG1-CD1 4.44Å; V2217-I2243 HydrophobicContact CG2-CD1 3.61Å; V2217-I2243 HydrophobicContact CG2-CG1 3.99Å; V2217-I2243 HydrophobicContact CG2-CG2 3.97Å; E2219-I2243 WeakPolarHBondContact O-CD1 3.08Å; E2219-I2243 VanDerWaalsContact O-CG2 3.3Å; E2219-I2243 WeakPolarHBondContact O-CG2 3.38Å; R2220-I2243 CarbonylContact C-O 3.53Å; R2220-I2243 WeakPolarHBondContact CA-O 3.27Å; R2220-I2243 VanDerWaalsContact CB-O 3.22Å; R2220-I2243 WeakPolarHBondContact CB-O 3.31Å; G2221-I2243 PolarHBondContact N-O 3.46Å; G2221-I2243 WeakPolarHBondContact O-CG1 3.17Å; G2221-I2243 PolarHBondContact O-N 2.76Å; C2223-I2243 HydrophobicContact CB-CD1 3.75Å; C2223-I2243 HydrophobicContact CB-CG1 3.75Å |
Retrieved 2,243 of 2,243 residues in 3476.1 ms
(Link to these results)