| 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 | 36.5 | Very low | 34 | Very low | 242 Ų | 242 | 162.3 Ų | 162.3 | 100% | 1.192 | 85% | 0.853 | S | S | * | * | 0 | 148.1 | 0 | -60.2 | 176.8 | -172.2 | 0 | 0 | 109.1 | V3 | M1-V3 PolarHBondContact O-N 3.15Š| |||
| 2 | S | 33.2 | Very low | 34.8 | Very low | 114 Ų | 114 | 155.8 Ų | 155.8 | 80% | 0.797 | 84% | 0.84 | S | S | * | * | trans | -83.2 | 110.7 | -171.4 | -173.1 | 0 | 0 | 0 | 0 | 113.1 | R4 | S2-R4 PolarHBondContact O-N 3.04Å; S2-R4 VanDerWaalsContact O-N 3.12Å | ||
| 3 | V | 35.4 | Very low | 36.4 | Very low | 134 Ų | 134 | 147.2 Ų | 147.2 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -80.2 | 91.5 | 177 | -175.8 | 0 | 0 | 0 | 0 | 109.7 | M1 R5 | M1-V3 PolarHBondContact O-N 3.15Å; V3-R5 PolarHBondContact O-N 3.46Å | ||
| 4 | R | 36.1 | Very low | 38.2 | Very low | 228 Ų | 228 | 142 Ų | 142 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -62.5 | 97.2 | 173 | -74.8 | -175.9 | 172.9 | 178.8 | -1.3 | 110.5 | S2 C6 | S2-R4 PolarHBondContact O-N 3.04Å; S2-R4 VanDerWaalsContact O-N 3.12Å; R4-C6 PolarHBondContact O-N 3.31Å | ||
| 5 | R | 31.6 | Very low | 40.3 | Very low | 240 Ų | 240 | 135 Ų | 135 | 91% | 0.906 | 74% | 0.739 | S | S | * | * | trans | -56.1 | 110.3 | 169.2 | -78.7 | -178.5 | 170.6 | 170.4 | -1.8 | 109.5 | V3 K7 | V3-R5 PolarHBondContact O-N 3.46Å; R5-K7 PolarHBondContact O-N 3.49Å | ||
| 6 | C | 33.7 | Very low | 42.7 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 85% | 0.845 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 127.7 | 170.2 | -68.2 | 0 | 0 | 0 | 0 | 109.3 | R4 A8 | R4-C6 PolarHBondContact O-N 3.31Å; C6-A8 PolarHBondContact O-N 3.13Å |
| 7 | K | 32.5 | Very low | 44.8 | Very low | 203 Ų | 203 | 123.6 Ų | 123.6 | 88% | 0.883 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 128.5 | 172.6 | -71.9 | -177.8 | 177.1 | 179.2 | 0 | 108.6 | R5 V9 | R5-K7 PolarHBondContact O-N 3.49Å; K7-V9 PolarHBondContact O-N 3.5Å |
| 8 | A | 32.6 | Very low | 47.1 | Very low | 101 Ų | 101 | 123.9 Ų | 123.9 | 84% | 0.835 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 121.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | C6 | C6-A8 PolarHBondContact O-N 3.13Š|
| 9 | V | 34 | Very low | 49.3 | Very low | 137 Ų | 137 | 120.9 Ų | 120.9 | 83% | 0.83 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 132.8 | 171.4 | -178.4 | 0 | 0 | 0 | 0 | 108 | K7 A11 | K7-V9 PolarHBondContact O-N 3.5Å; V9-A11 PolarHBondContact O-N 3.48Å; V9-A11 VanDerWaalsContact O-N 3.16Å |
| 10 | K | 30.9 | Very low | 51.4 | Low | 188 Ų | 188 | 115.4 Ų | 115.4 | 82% | 0.817 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 118.8 | 169.5 | -76.9 | -172.5 | 175.7 | -175 | 0 | 107.8 | A12 | K10-A12 PolarHBondContact O-N 2.98Š|
| 11 | A | 38 | Very low | 53.3 | Low | 73 Ų | 73 | 115.6 Ų | 115.6 | 60% | 0.603 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 118.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | V9 S590 | V9-A11 PolarHBondContact O-N 3.48Å; V9-A11 VanDerWaalsContact O-N 3.16Å; A11-S590 VanDerWaalsContact CB-OG 3.29Å; A11-S590 WeakPolarHBondContact CB-OG 3.33Å |
| 12 | A | 43.3 | Very low | 56 | Low | 85 Ų | 85 | 108.5 Ų | 108.5 | 70% | 0.702 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 166.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | K10 | K10-A12 PolarHBondContact O-N 2.98Š|
| 13 | G | 54.8 | Low | 59 | Low | 43 Ų | 43 | 105.7 Ų | 105.7 | 44% | 0.443 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -61.1 | 161.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | S15 | G13-S15 PolarHBondContact O-N 3.5Š|
| 14 | Y | 62.1 | Low | 61.9 | Low | 75 Ų | 75 | 100.7 Ų | 100.7 | 29% | 0.294 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -56.1 | 133.5 | 176.2 | -65.7 | -78.8 | 0 | 0 | 0 | 110.7 | F45 N70 | Y14-F45 HydrophobicContact CD1-CD1 4.34Å; Y14-F45 HydrophobicContact CD1-CE1 4.37Å; Y14-F45 HydrophobicContact CD2-CD1 4.2Å; Y14-F45 AromaticContact CD2-CE1 3.57Å; Y14-F45 HydrophobicContact CD2-CE1 3.57Å; Y14-F45 HydrophobicContact CE2-CE1 4.04Å; Y14-F45 AromaticContact CG-CD1 3.88Å; Y14-F45 HydrophobicContact CG-CD1 3.88Å; Y14-F45 AromaticContact CG-CE1 3.73Å; Y14-F45 HydrophobicContact CG-CE1 3.73Å; Y14-N70 WeakPolarHBondContact CD1-OD1 3.31Å |
| 15 | S | 70.1 | Confident | 64.7 | Low | 37 Ų | 37 | 93.3 Ų | 93.3 | 26% | 0.259 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 139.3 | 174.7 | 44 | 0 | 0 | 0 | 0 | 109.5 | G13 P67 E69 N70 | G13-S15 PolarHBondContact O-N 3.5Å; S15-P67 WeakPolarHBondContact OG-CB 3.19Å; S15-P67 WeakPolarHBondContact OG-CG 3.32Å; S15-E69 PolarHBondContact OG-OE1 3.21Å; S15-N70 PolarHBondContact O-ND2 2.96Å |
| 16 | L | 78.9 | Confident | 67.8 | Low | 73 Ų | 73 | 81.9 Ų | 81.9 | 38% | 0.382 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -84 | 144.2 | 160.2 | -174.5 | 58.1 | 0 | 0 | 0 | 107.8 | Q42 G46 | L16-Q42 HydrophobicContact CD1-CG 4.45Å; L16-Q42 HydrophobicContact CD2-CG 4.37Å; L16-G46 VanDerWaalsContact CD1-N 3.3Å |
| 17 | A | 78.8 | Confident | 70.8 | Confident | 4 Ų | 4 | 80.4 Ų | 80.4 | 3% | 0.033 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 163.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111 | R47 I65 P67 L119 | A17-R47 PolarHBondContact O-NH1 3.45Å; A17-I65 HydrophobicContact CB-CD1 3.71Å; A17-I65 HydrophobicContact CB-CG1 3.9Å; A17-P67 HydrophobicContact CB-CG 4.42Å; A17-L119 HydrophobicContact CB-CD2 4.31Å |
| 18 | Q | 85.3 | Confident | 73.8 | Confident | 129 Ų | 129 | 71 Ų | 71 | 60% | 0.603 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -81 | 159.1 | 160.3 | -69.9 | -60.7 | -22.8 | 0 | 0 | 110.5 | R47 | Q18-R47 PolarHBondContact O-NH1 3.2Š|
| 19 | P | 89.3 | Confident | 76.6 | Confident | 67 Ų | 67 | 69.8 Ų | 69.8 | 44% | 0.435 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 148.9 | 168.2 | -24.2 | 35.4 | 0 | 0 | 0 | 111.4 | Y49 | P19-Y49 WeakPolarHBondContact CA-OH 3.24Š|
| 20 | I | 90 | Very high | 79.4 | Confident | 9 Ų | 9 | 68.7 Ų | 68.7 | 5% | 0.046 | 41% | 0.409 | C | S | . | . | trans | -115.2 | 135.2 | 172.3 | -61.8 | -172.5 | 0 | 0 | 0 | 107.1 | T24 I26 T36 Y49 I65 L114 L119 | I20-T24 VanDerWaalsContact CG2-CB 3.45Å; I20-T24 HydrophobicContact CG2-CG2 3.74Å; I20-T24 VanDerWaalsContact CG2-OG1 3.24Å; I20-T24 WeakPolarHBondContact CG2-OG1 3.37Å; I20-I26 HydrophobicContact CD1-CD1 4.49Å; I20-T36 HydrophobicContact CG2-CG2 4.42Å; I20-Y49 HydrophobicContact CB-CE1 4.06Å; I20-Y49 HydrophobicContact CB-CE2 4.31Å; I20-Y49 HydrophobicContact CG1-CE2 4.47Å; I20-Y49 PolarHBondContact N-OH 3.46Å; I20-Y49 VanDerWaalsContact O-CE1 3.29Å; I20-Y49 WeakPolarHBondContact O-CE1 3.46Å; I20-I65 HydrophobicContact CD1-CD1 3.45Å; I20-I65 VanDerWaalsContact CD1-CD1 3.45Å; I20-I65 HydrophobicContact CD1-CG2 4.2Å; I20-I65 HydrophobicContact CG1-CD1 3.76Å; I20-L114 HydrophobicContact CB-CD2 4.45Å; I20-L114 HydrophobicContact CD1-CD2 3.49Å; I20-L114 VanDerWaalsContact CD1-CD2 3.49Å; I20-L114 HydrophobicContact CG1-CD2 3.66Å; I20-L114 HydrophobicContact CG2-CD2 4.08Å; I20-L119 HydrophobicContact CD1-CD1 4.17Å | ||
| 21 | N | 92.1 | Very high | 82.4 | Confident | 121 Ų | 121 | 67 Ų | 67 | 65% | 0.647 | 40% | 0.402 | S | S | * | . | trans | -69.4 | 143.3 | 178.7 | -65.2 | -0.9 | 0 | 0 | 0 | 110.5 | T24 T36 | N21-T24 WeakPolarHBondContact O-CB 3.37Å; N21-T24 PolarHBondContact O-N 2.92Å; N21-T24 PolarHBondContact O-OG1 3.27Å; N21-T36 PolarHBondContact O-OG1 3.29Å | ||
| 22 | P | 94.2 | Very high | 85.2 | Confident | 93 Ų | 93 | 67.6 Ų | 67.6 | 60% | 0.604 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 147.2 | 163 | -24.9 | 35 | 0 | 0 | 0 | 111.2 | T24 G37 | P22-T24 VanDerWaalsContact C-N 3.3Å; P22-G37 WeakPolarHBondContact CA-O 3.49Å |
| 23 | G | 95.2 | Very high | 87.8 | Confident | 55 Ų | 55 | 68.6 Ų | 68.6 | 57% | 0.567 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -0.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115 | L25 T36 | G23-L25 PolarHBondContact O-N 3.4Å; G23-T36 PolarHBondContact N-O 3.11Å |
| 24 | T | 95.7 | Very high | 89.8 | Confident | 29 Ų | 29 | 66.7 Ų | 66.7 | 18% | 0.178 | 35% | 0.353 | C | S | . | . | trans | -67.6 | 126 | 178.5 | -60.9 | 0 | 0 | 0 | 0 | 110.7 | I20 N21 P22 I26 T36 L114 | I20-T24 VanDerWaalsContact CG2-CB 3.45Å; I20-T24 HydrophobicContact CG2-CG2 3.74Å; I20-T24 VanDerWaalsContact CG2-OG1 3.24Å; I20-T24 WeakPolarHBondContact CG2-OG1 3.37Å; N21-T24 WeakPolarHBondContact O-CB 3.37Å; N21-T24 PolarHBondContact O-N 2.92Å; N21-T24 PolarHBondContact O-OG1 3.27Å; P22-T24 VanDerWaalsContact C-N 3.3Å; T24-I26 HydrophobicContact CG2-CG1 4.32Å; T24-T36 WeakPolarHBondContact CB-OG1 3.49Å; T24-T36 PolarHBondContact N-OG1 2.98Å; T24-T36 VanDerWaalsContact N-OG1 3.1Å; T24-T36 PolarHBondContact O-N 3.03Å; T24-T36 PolarHBondContact O-OG1 3.27Å; T24-L114 HydrophobicContact CG2-CD1 4.49Å; T24-L114 HydrophobicContact CG2-CD2 4.28Å | ||
| 25 | L | 96.1 | Very high | 91.5 | Very high | 72 Ų | 72 | 65 Ų | 65 | 38% | 0.377 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 125.2 | 175.3 | -170.7 | 76.3 | 0 | 0 | 0 | 110.8 | G23 R33 W34 I35 | G23-L25 PolarHBondContact O-N 3.4Å; L25-R33 HydrophobicContact CD1-CB 4.04Å; L25-R33 HydrophobicContact CD1-CG 4.42Å; L25-W34 CarbonylContact C-O 3.33Å; L25-W34 WeakPolarHBondContact CA-O 3.48Å; L25-I35 HydrophobicContact CD1-CG1 4.22Å |
| 26 | I | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 125.2 | 177.3 | -61.1 | -178.5 | 0 | 0 | 0 | 108.7 | I20 T24 W34 T36 I63 I112 F121 | I20-I26 HydrophobicContact CD1-CD1 4.49Å; T24-I26 HydrophobicContact CG2-CG1 4.32Å; I26-W34 PolarHBondContact N-O 3.5Å; I26-W34 WeakPolarHBondContact O-CB 3.4Å; I26-W34 PolarHBondContact O-N 3.21Å; I26-T36 HydrophobicContact CD1-CG2 3.67Å; I26-T36 HydrophobicContact CG1-CG2 4.37Å; I26-I63 HydrophobicContact CD1-CD1 4.39Å; I26-I63 HydrophobicContact CD1-CG2 4.36Å; I26-I112 HydrophobicContact CB-CD1 4.43Å; I26-I112 HydrophobicContact CG1-CD1 4.11Å; I26-I112 HydrophobicContact CG2-CD1 4.28Å; I26-F121 HydrophobicContact CG2-CD1 3.89Å; I26-F121 HydrophobicContact CG2-CD2 4.09Å; I26-F121 HydrophobicContact CG2-CE1 3.41Å; I26-F121 VanDerWaalsContact CG2-CE1 3.41Å; I26-F121 HydrophobicContact CG2-CE2 3.64Å; I26-F121 HydrophobicContact CG2-CG 4.19Å; I26-F121 HydrophobicContact CG2-CZ 3.25Å |
| 27 | Q | 96.5 | Very high | 93.6 | Very high | 94 Ų | 94 | 60.1 Ų | 60.1 | 44% | 0.439 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 132.8 | 176.7 | -168.3 | -174.1 | -96.5 | 0 | 0 | 111 | R32 R33 F121 | Q27-R32 WeakPolarHBondContact CA-O 3.43Å; Q27-R33 HydrophobicContact CB-CG 4.45Å; Q27-R33 HydrophobicContact CG-CG 4.22Å; Q27-F121 WeakPolarHBondContact O-CZ 3.41Å |
| 28 | D | 95.9 | Very high | 94.4 | Very high | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.027 | 34% | 0.342 | C | S | . | . | trans | -90.6 | 176.6 | -177.1 | 76.8 | 16.8 | 0 | 0 | 0 | 115 | L30 K31 R32 W34 S108 F121 | D28-L30 PolarHBondContact O-N 3.39Å; D28-L30 VanDerWaalsContact OD1-CA 3.25Å; D28-L30 WeakPolarHBondContact OD1-CA 3.49Å; D28-L30 WeakPolarHBondContact OD1-CB 3.4Å; D28-L30 PolarHBondContact OD1-N 3.42Å; D28-K31 PolarHBondContact O-N 3.23Å; D28-K31 PolarHBondContact OD1-N 2.88Å; D28-R32 PolarHBondContact N-O 3.34Å; D28-R32 PolarHBondContact OD1-N 3.48Å; D28-R32 WeakPolarHBondContact OD2-CB 3.38Å; D28-R32 IonicContact OD2-CZ 3.95Å; D28-R32 IonicContact OD2-NE 3.7Å; D28-R32 PolarHBondContact OD2-NE 2.95Å; D28-R32 IonicContact OD2-NH2 2.76Å; D28-R32 PolarHBondContact OD2-NH2 3.47Å; D28-W34 PolarHBondContact OD2-NE1 3.2Å; D28-S108 WeakPolarHBondContact CB-OG 3.3Å; D28-S108 VanDerWaalsContact OD2-CB 3.25Å; D28-S108 WeakPolarHBondContact OD2-CB 3.38Å; D28-S108 PolarHBondContact OD2-OG 3.35Å; D28-F121 HydrophobicContact CB-CE2 4.18Å; D28-F121 HydrophobicContact CB-CZ 4.05Å | ||
| 29 | S | 92 | Very high | 94.8 | Very high | 77 Ų | 77 | 60 Ų | 60 | 54% | 0.538 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -21.8 | 179.5 | -53 | 0 | 0 | 0 | 0 | 113.3 | S109 G110 | S29-S109 WeakPolarHBondContact CB-O 3.34Å; S29-S109 PolarHBondContact N-O 2.89Å; S29-S109 VanDerWaalsContact N-O 3.11Å; S29-S109 PolarHBondContact OG-O 3.5Å; S29-G110 WeakPolarHBondContact OG-CA 3.39Å |
| 30 | L | 92.2 | Very high | 94.8 | Very high | 114 Ų | 114 | 58.8 Ų | 58.8 | 60% | 0.597 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 13.9 | 176.5 | -55.1 | -174.8 | 0 | 0 | 0 | 112.4 | D28 R32 | D28-L30 PolarHBondContact O-N 3.39Å; D28-L30 VanDerWaalsContact OD1-CA 3.25Å; D28-L30 WeakPolarHBondContact OD1-CA 3.49Å; D28-L30 WeakPolarHBondContact OD1-CB 3.4Å; D28-L30 PolarHBondContact OD1-N 3.42Å; L30-R32 PolarHBondContact O-N 3.4Å |
| 31 | K | 94.7 | Very high | 94.5 | Very high | 152 Ų | 152 | 58.9 Ų | 58.9 | 66% | 0.661 | 33% | 0.331 | S | S | * | . | trans | 64.1 | 10.8 | -178.7 | -49.2 | -58.6 | -176.7 | -180 | 0 | 115.4 | D28 | D28-K31 PolarHBondContact O-N 3.23Å; D28-K31 PolarHBondContact OD1-N 2.88Å | ||
| 32 | R | 96.1 | Very high | 94 | Very high | 85 Ų | 85 | 57.3 Ų | 57.3 | 32% | 0.321 | 32% | 0.32 | S | S | . | . | trans | -72.6 | 143.1 | 172 | -61.5 | 179 | -68.5 | -163.4 | -8.8 | 110 | Q27 D28 L30 L53 I107 S108 | Q27-R32 WeakPolarHBondContact CA-O 3.43Å; D28-R32 PolarHBondContact N-O 3.34Å; D28-R32 PolarHBondContact OD1-N 3.48Å; D28-R32 WeakPolarHBondContact OD2-CB 3.38Å; D28-R32 IonicContact OD2-CZ 3.95Å; D28-R32 IonicContact OD2-NE 3.7Å; D28-R32 PolarHBondContact OD2-NE 2.95Å; D28-R32 IonicContact OD2-NH2 2.76Å; D28-R32 PolarHBondContact OD2-NH2 3.47Å; L30-R32 PolarHBondContact O-N 3.4Å; R32-L53 HydrophobicContact CB-CD1 3.88Å; R32-L53 HydrophobicContact CG-CD1 4.42Å; R32-I107 PolarHBondContact NH2-O 2.96Å; R32-S108 PolarHBondContact NH2-OG 3.44Å | ||
| 33 | R | 97.6 | Very high | 92.9 | Very high | 107 Ų | 107 | 54.4 Ų | 54.4 | 40% | 0.404 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 124.8 | -178.7 | -79.8 | 165.3 | 56.4 | 128.4 | -4.2 | 109.3 | L25 Q27 L53 E54 | L25-R33 HydrophobicContact CD1-CB 4.04Å; L25-R33 HydrophobicContact CD1-CG 4.42Å; Q27-R33 HydrophobicContact CB-CG 4.45Å; Q27-R33 HydrophobicContact CG-CG 4.22Å; R33-L53 WeakPolarHBondContact O-CD1 3.48Å; R33-E54 HydrophobicContact CB-CB 3.99Å; R33-E54 WeakPolarHBondContact CB-OE2 3.14Å; R33-E54 WeakPolarHBondContact CD-OE2 3.47Å; R33-E54 IonicContact CZ-OE1 3.84Å; R33-E54 IonicContact CZ-OE2 3.89Å; R33-E54 VanDerWaalsContact NE-CD 3.34Å; R33-E54 IonicContact NE-OE1 3.44Å; R33-E54 PolarHBondContact NE-OE1 3.45Å; R33-E54 IonicContact NE-OE2 3.54Å; R33-E54 PolarHBondContact NE-OE2 3.29Å; R33-E54 IonicContact NH2-OE1 3.01Å; R33-E54 PolarHBondContact NH2-OE1 3.23Å; R33-E54 IonicContact NH2-OE2 3.64Å; R33-E54 PolarHBondContact NH2-OE2 3.27Å; R33-E54 WeakPolarHBondContact O-CB 3.42Å; R33-E54 PolarHBondContact O-N 3.1Å |
| 34 | W | 97.9 | Very high | 91.7 | Very high | 3 Ų | 3 | 53.2 Ų | 53.2 | 1% | 0.011 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 144.8 | -176.9 | -58.8 | 89.9 | 0 | 0 | 0 | 109.7 | L25 I26 D28 K52 L53 Y61 I63 I107 V123 | L25-W34 CarbonylContact C-O 3.33Å; L25-W34 WeakPolarHBondContact CA-O 3.48Å; I26-W34 PolarHBondContact N-O 3.5Å; I26-W34 WeakPolarHBondContact O-CB 3.4Å; I26-W34 PolarHBondContact O-N 3.21Å; D28-W34 PolarHBondContact OD2-NE1 3.2Å; W34-K52 CarbonylContact C-O 3.57Å; W34-K52 WeakPolarHBondContact CA-O 3.35Å; W34-L53 HydrophobicContact CD2-CD1 4.23Å; W34-L53 HydrophobicContact CE3-CB 4.33Å; W34-L53 HydrophobicContact CE3-CD1 4.3Å; W34-L53 HydrophobicContact CH2-CD1 4.17Å; W34-L53 HydrophobicContact CZ2-CD1 4.11Å; W34-L53 HydrophobicContact CZ3-CB 4.14Å; W34-L53 HydrophobicContact CZ3-CD1 4.26Å; W34-Y61 HydrophobicContact CH2-CD2 4.42Å; W34-Y61 HydrophobicContact CH2-CE2 4.41Å; W34-Y61 HydrophobicContact CH2-CG 4.5Å; W34-Y61 HydrophobicContact CZ3-CD1 4.39Å; W34-Y61 AromaticContact CZ3-CD2 3.63Å; W34-Y61 HydrophobicContact CZ3-CD2 3.63Å; W34-Y61 AromaticContact CZ3-CE2 3.94Å; W34-Y61 HydrophobicContact CZ3-CE2 3.94Å; W34-Y61 AromaticContact CZ3-CG 3.85Å; W34-Y61 HydrophobicContact CZ3-CG 3.85Å; W34-I63 HydrophobicContact CB-CD1 3.9Å; W34-I63 HydrophobicContact CG-CD1 4.46Å; W34-I107 HydrophobicContact CH2-CG2 3.62Å; W34-I107 HydrophobicContact CZ2-CG2 4Å; W34-V123 HydrophobicContact CD2-CG1 4.29Å; W34-V123 HydrophobicContact CD2-CG2 4.25Å; W34-V123 HydrophobicContact CE3-CG1 4.06Å; W34-V123 HydrophobicContact CH2-CG1 3.9Å; W34-V123 HydrophobicContact CZ2-CG1 4.1Å; W34-V123 HydrophobicContact CZ2-CG2 4.36Å; W34-V123 HydrophobicContact CZ3-CG1 3.88Å |
| 35 | I | 97.6 | Very high | 90.6 | Very high | 40 Ų | 40 | 53 Ų | 53 | 21% | 0.205 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 124.9 | 177.7 | -57.9 | 173.3 | 0 | 0 | 0 | 108.1 | L25 A51 K52 E54 | L25-I35 HydrophobicContact CD1-CG1 4.22Å; I35-A51 WeakPolarHBondContact O-CA 3.48Å; I35-K52 HydrophobicContact CB-CG 4.26Å; I35-K52 PolarHBondContact N-O 3.25Å; I35-K52 PolarHBondContact O-N 3.27Å; I35-K52 VanDerWaalsContact O-N 3.16Å; I35-E54 HydrophobicContact CD1-CB 4.41Å; I35-E54 HydrophobicContact CD1-CG 4.34Å |
| 36 | T | 97 | Very high | 90.1 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 144.9 | 172 | 58.5 | 0 | 0 | 0 | 0 | 111.2 | I20 N21 G23 T24 I26 S50 I63 | I20-T36 HydrophobicContact CG2-CG2 4.42Å; N21-T36 PolarHBondContact O-OG1 3.29Å; G23-T36 PolarHBondContact N-O 3.11Å; T24-T36 WeakPolarHBondContact CB-OG1 3.49Å; T24-T36 PolarHBondContact N-OG1 2.98Å; T24-T36 VanDerWaalsContact N-OG1 3.1Å; T24-T36 PolarHBondContact O-N 3.03Å; T24-T36 PolarHBondContact O-OG1 3.27Å; I26-T36 HydrophobicContact CD1-CG2 3.67Å; I26-T36 HydrophobicContact CG1-CG2 4.37Å; T36-S50 CarbonylContact C-O 3.6Å; T36-I63 HydrophobicContact CG2-CD1 4.47Å |
| 37 | G | 96.5 | Very high | 89.9 | Confident | 5 Ų | 5 | 51.2 Ų | 51.2 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | -144.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | P22 S50 | P22-G37 WeakPolarHBondContact CA-O 3.49Å; G37-S50 WeakPolarHBondContact CA-OG 3.47Å; G37-S50 PolarHBondContact N-O 3.29Å |
| 38 | S | 95 | Very high | 89.8 | Confident | 67 Ų | 67 | 48 Ų | 48 | 47% | 0.469 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 148.7 | 170.7 | 51.8 | 0 | 0 | 0 | 0 | 112.6 | I40 Y49 S50 | S38-I40 PolarHBondContact O-N 3.2Å; S38-Y49 CarbonylContact O-C 3.57Å; S38-Y49 WeakPolarHBondContact O-CA 3.43Å; S38-S50 PolarHBondContact N-OG 2.81Å; S38-S50 VanDerWaalsContact N-OG 3.1Å; S38-S50 PolarHBondContact O-N 3.39Å; S38-S50 PolarHBondContact O-OG 3.18Å; S38-S50 PolarHBondContact OG-OG 2.77Å; S38-S50 VanDerWaalsContact OG-OG 3.13Å |
| 39 | A | 93.9 | Very high | 89.8 | Confident | 64 Ų | 64 | 47.9 Ų | 47.9 | 53% | 0.529 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 128.5 | 162 | 0 | 0 | 0 | 0 | 0 | 108.2 | Y49 | A39-Y49 HydrophobicContact CB-CD1 3.9Å; A39-Y49 HydrophobicContact CB-CE1 3.81Å |
| 40 | I | 89.9 | Confident | 90.1 | Very high | 42 Ų | 42 | 44.4 Ų | 44.4 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 7.4 | 176.9 | 65.5 | 167.7 | 0 | 0 | 0 | 111.9 | S38 I48 V62 L517 | S38-I40 PolarHBondContact O-N 3.2Å; I40-I48 HydrophobicContact CD1-CG2 3.87Å; I40-I48 HydrophobicContact CG1-CB 4.08Å; I40-I48 HydrophobicContact CG1-CG2 3.76Å; I40-I48 PolarHBondContact N-O 3.34Å; I40-V62 HydrophobicContact CD1-CB 4.04Å; I40-V62 HydrophobicContact CD1-CG1 3.36Å; I40-L517 WeakPolarHBondContact O-CD1 3.37Å; I40-L517 WeakPolarHBondContact O-CD2 3.15Å |
| 41 | G | 83 | Confident | 90.3 | Very high | 11 Ų | 11 | 39 Ų | 39 | 11% | 0.113 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.2 | 171.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | R47 I48 | G41-R47 CarbonylContact O-C 3.59Å; G41-R47 VanDerWaalsContact O-CA 3.28Å; G41-R47 WeakPolarHBondContact O-CA 3.22Å; G41-I48 PolarHBondContact N-O 3.05Å; G41-I48 VanDerWaalsContact N-O 3.08Å; G41-I48 PolarHBondContact O-N 3.43Å |
| 42 | Q | 82.5 | Confident | 90.5 | Very high | 88 Ų | 88 | 33.5 Ų | 33.5 | 41% | 0.411 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 101.2 | -175.1 | -175.6 | 178.2 | -93.4 | 0 | 0 | 111.7 | L16 G46 R47 T512 | L16-Q42 HydrophobicContact CD1-CG 4.45Å; L16-Q42 HydrophobicContact CD2-CG 4.37Å; Q42-G46 CarbonylContact C-O 3.29Å; Q42-R47 HydrophobicContact CB-CG 4.16Å; Q42-R47 HydrophobicContact CG-CG 4.02Å; Q42-T512 PolarHBondContact O-OG1 3.11Å |
| 43 | G | 70.7 | Confident | 90.6 | Very high | 31 Ų | 31 | 32 Ų | 32 | 32% | 0.32 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 169.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F45 G46 T512 | G43-F45 PolarHBondContact O-N 3.44Å; G43-G46 PolarHBondContact N-O 2.97Å; G43-G46 PolarHBondContact O-N 3.11Å; G43-G46 VanDerWaalsContact O-O 3.04Å; G43-T512 WeakPolarHBondContact CA-OG1 3.41Å |
| 44 | G | 69.8 | Low | 90.5 | Very high | 30 Ų | 30 | 31 Ų | 31 | 31% | 0.309 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -6.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | T512 | G44-T512 PolarHBondContact N-OG1 3.46Š|
| 45 | F | 73.2 | Confident | 90.4 | Very high | 26 Ų | 26 | 34.6 Ų | 34.6 | 11% | 0.114 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128 | -10.1 | -178.6 | -53.1 | -61.4 | 0 | 0 | 0 | 113.8 | Y14 G43 E66 N70 P72 R511 | Y14-F45 HydrophobicContact CD1-CD1 4.34Å; Y14-F45 HydrophobicContact CD1-CE1 4.37Å; Y14-F45 HydrophobicContact CD2-CD1 4.2Å; Y14-F45 AromaticContact CD2-CE1 3.57Å; Y14-F45 HydrophobicContact CD2-CE1 3.57Å; Y14-F45 HydrophobicContact CE2-CE1 4.04Å; Y14-F45 AromaticContact CG-CD1 3.88Å; Y14-F45 HydrophobicContact CG-CD1 3.88Å; Y14-F45 AromaticContact CG-CE1 3.73Å; Y14-F45 HydrophobicContact CG-CE1 3.73Å; G43-F45 PolarHBondContact O-N 3.44Å; F45-E66 HydrophobicContact CB-CG 4.24Å; F45-E66 WeakPolarHBondContact O-CG 3.46Å; F45-N70 PolarHBondContact O-ND2 3.43Å; F45-N70 VanDerWaalsContact O-ND2 3.15Å; F45-P72 HydrophobicContact CD2-CB 4.18Å; F45-P72 HydrophobicContact CD2-CG 3.76Å; F45-P72 HydrophobicContact CE2-CG 3.87Å; F45-P72 HydrophobicContact CG-CG 4.18Å; F45-P72 HydrophobicContact CZ-CG 4.38Å; F45-R511 HydrophobicContact CE2-CG 4.44Å |
| 46 | G | 83.9 | Confident | 90.3 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.8 | 175.3 | -163 | 0 | 0 | 0 | 0 | 0 | 115 | L16 Q42 G43 I65 | L16-G46 VanDerWaalsContact CD1-N 3.3Å; Q42-G46 CarbonylContact C-O 3.29Å; G43-G46 PolarHBondContact N-O 2.97Å; G43-G46 PolarHBondContact O-N 3.11Å; G43-G46 VanDerWaalsContact O-O 3.04Å; G46-I65 CarbonylContact C-O 3.48Å; G46-I65 WeakPolarHBondContact CA-O 3.29Å |
| 47 | R | 92.8 | Very high | 90.2 | Very high | 30 Ų | 30 | 44.1 Ų | 44.1 | 11% | 0.113 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 155.3 | 174.3 | -72 | -168.2 | -171.2 | 80.5 | 9 | 111.5 | A17 Q18 G41 Q42 Y49 K64 I65 | A17-R47 PolarHBondContact O-NH1 3.45Å; Q18-R47 PolarHBondContact O-NH1 3.2Å; G41-R47 CarbonylContact O-C 3.59Å; G41-R47 VanDerWaalsContact O-CA 3.28Å; G41-R47 WeakPolarHBondContact O-CA 3.22Å; Q42-R47 HydrophobicContact CB-CG 4.16Å; Q42-R47 HydrophobicContact CG-CG 4.02Å; R47-Y49 HydrophobicContact CB-CE2 3.62Å; R47-Y49 WeakPolarHBondContact CD-OH 3.25Å; R47-K64 CarbonylContact O-C 3.2Å; R47-K64 WeakPolarHBondContact O-CA 3.5Å; R47-I65 HydrophobicContact CB-CD1 4.47Å; R47-I65 HydrophobicContact CB-CG1 4.23Å; R47-I65 PolarHBondContact N-O 2.57Å; R47-I65 VanDerWaalsContact N-O 3.1Å; R47-I65 PolarHBondContact O-N 3.22Å |
| 48 | I | 94.4 | Very high | 90.1 | Very high | 28 Ų | 28 | 48.9 Ų | 48.9 | 14% | 0.144 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 132.7 | 176.1 | -47.2 | 179.8 | 0 | 0 | 0 | 107.4 | I40 G41 V62 I63 K64 | I40-I48 HydrophobicContact CD1-CG2 3.87Å; I40-I48 HydrophobicContact CG1-CB 4.08Å; I40-I48 HydrophobicContact CG1-CG2 3.76Å; I40-I48 PolarHBondContact N-O 3.34Å; G41-I48 PolarHBondContact N-O 3.05Å; G41-I48 VanDerWaalsContact N-O 3.08Å; G41-I48 PolarHBondContact O-N 3.43Å; I48-V62 HydrophobicContact CG2-CB 3.88Å; I48-V62 HydrophobicContact CG2-CG2 4.19Å; I48-I63 WeakPolarHBondContact CA-O 3.44Å; I48-K64 HydrophobicContact CG1-CB 4.33Å; I48-K64 HydrophobicContact CG1-CG 4.29Å |
| 49 | Y | 96.5 | Very high | 90.1 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 149.3 | 175.8 | -57 | -97.4 | 0 | 0 | 0 | 109.1 | P19 I20 S38 A39 R47 V62 I63 I65 | P19-Y49 WeakPolarHBondContact CA-OH 3.24Å; I20-Y49 HydrophobicContact CB-CE1 4.06Å; I20-Y49 HydrophobicContact CB-CE2 4.31Å; I20-Y49 HydrophobicContact CG1-CE2 4.47Å; I20-Y49 PolarHBondContact N-OH 3.46Å; I20-Y49 VanDerWaalsContact O-CE1 3.29Å; I20-Y49 WeakPolarHBondContact O-CE1 3.46Å; S38-Y49 CarbonylContact O-C 3.57Å; S38-Y49 WeakPolarHBondContact O-CA 3.43Å; A39-Y49 HydrophobicContact CB-CD1 3.9Å; A39-Y49 HydrophobicContact CB-CE1 3.81Å; R47-Y49 HydrophobicContact CB-CE2 3.62Å; R47-Y49 WeakPolarHBondContact CD-OH 3.25Å; Y49-V62 CarbonylContact O-C 3.54Å; Y49-V62 WeakPolarHBondContact O-CA 3.26Å; Y49-I63 PolarHBondContact N-O 3.26Å; Y49-I63 PolarHBondContact O-N 3.27Å; Y49-I65 HydrophobicContact CE2-CD1 3.61Å; Y49-I65 HydrophobicContact CE2-CG1 4.01Å; Y49-I65 HydrophobicContact CE2-CG2 4.49Å |
| 50 | S | 96.9 | Very high | 90.2 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 148.2 | 162.1 | 58.7 | 0 | 0 | 0 | 0 | 109.2 | T36 G37 S38 | T36-S50 CarbonylContact C-O 3.6Å; G37-S50 WeakPolarHBondContact CA-OG 3.47Å; G37-S50 PolarHBondContact N-O 3.29Å; S38-S50 PolarHBondContact N-OG 2.81Å; S38-S50 VanDerWaalsContact N-OG 3.1Å; S38-S50 PolarHBondContact O-N 3.39Å; S38-S50 PolarHBondContact O-OG 3.18Å; S38-S50 PolarHBondContact OG-OG 2.77Å; S38-S50 VanDerWaalsContact OG-OG 3.13Å |
| 51 | A | 97.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 154.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I35 F59 R60 Y61 I63 | I35-A51 WeakPolarHBondContact O-CA 3.48Å; A51-F59 CarbonylContact O-C 3.6Å; A51-F59 VanDerWaalsContact O-CA 3.31Å; A51-F59 WeakPolarHBondContact O-CA 3.49Å; A51-R60 PolarHBondContact O-N 3.1Å; A51-Y61 PolarHBondContact N-O 3.47Å; A51-Y61 CarbonylContact O-C 3.51Å; A51-Y61 WeakPolarHBondContact O-CA 3.39Å; A51-Y61 WeakPolarHBondContact O-CB 3.46Å; A51-Y61 PolarHBondContact O-N 3.18Å; A51-I63 HydrophobicContact CB-CB 4.29Å; A51-I63 HydrophobicContact CB-CD1 3.63Å; A51-I63 HydrophobicContact CB-CG1 3.57Å |
| 52 | K | 97.8 | Very high | 91.2 | Very high | 37 Ų | 37 | 53.1 Ų | 53.1 | 16% | 0.161 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 157.2 | 171.2 | 63 | -173.6 | -171.7 | 158.7 | 0 | 111.5 | W34 I35 E56 K57 L58 F59 | W34-K52 CarbonylContact C-O 3.57Å; W34-K52 WeakPolarHBondContact CA-O 3.35Å; I35-K52 HydrophobicContact CB-CG 4.26Å; I35-K52 PolarHBondContact N-O 3.25Å; I35-K52 PolarHBondContact O-N 3.27Å; I35-K52 VanDerWaalsContact O-N 3.16Å; K52-E56 HydrophobicContact CB-CB 4.26Å; K52-E56 WeakPolarHBondContact CD-O 3.33Å; K52-E56 WeakPolarHBondContact CE-O 3.49Å; K52-E56 PolarHBondContact NZ-O 2.99Å; K52-K57 WeakPolarHBondContact CD-O 3.36Å; K52-K57 PolarHBondContact NZ-O 3.32Å; K52-L58 VanDerWaalsContact CB-O 3.28Å; K52-L58 WeakPolarHBondContact CB-O 3.32Å; K52-F59 HydrophobicContact CB-CD1 4.11Å; K52-F59 HydrophobicContact CB-CE1 4.47Å; K52-F59 HydrophobicContact CB-CG 4.49Å; K52-F59 HydrophobicContact CD-CD1 4.02Å; K52-F59 HydrophobicContact CD-CD2 4.17Å; K52-F59 HydrophobicContact CD-CE1 3.83Å; K52-F59 HydrophobicContact CD-CE2 3.99Å; K52-F59 HydrophobicContact CD-CG 4.19Å; K52-F59 HydrophobicContact CD-CZ 3.82Å; K52-F59 HydrophobicContact CG-CD1 3.88Å; K52-F59 HydrophobicContact CG-CE1 3.75Å; K52-F59 HydrophobicContact CG-CG 4.46Å; K52-F59 HydrophobicContact CG-CZ 4.24Å |
| 53 | L | 97.4 | Very high | 91.9 | Very high | 55 Ų | 55 | 48.9 Ų | 48.9 | 29% | 0.288 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 147.6 | 168.3 | -167.7 | 71.7 | 0 | 0 | 0 | 109.1 | R32 R33 W34 G55 E56 | R32-L53 HydrophobicContact CB-CD1 3.88Å; R32-L53 HydrophobicContact CG-CD1 4.42Å; R33-L53 WeakPolarHBondContact O-CD1 3.48Å; W34-L53 HydrophobicContact CD2-CD1 4.23Å; W34-L53 HydrophobicContact CE3-CB 4.33Å; W34-L53 HydrophobicContact CE3-CD1 4.3Å; W34-L53 HydrophobicContact CH2-CD1 4.17Å; W34-L53 HydrophobicContact CZ2-CD1 4.11Å; W34-L53 HydrophobicContact CZ3-CB 4.14Å; W34-L53 HydrophobicContact CZ3-CD1 4.26Å; L53-G55 PolarHBondContact O-N 3.44Å; L53-E56 HydrophobicContact CB-CG 3.92Å; L53-E56 VanDerWaalsContact CB-OE2 3.31Å; L53-E56 WeakPolarHBondContact CB-OE2 3.17Å; L53-E56 PolarHBondContact N-OE2 3.06Å; L53-E56 WeakPolarHBondContact O-CB 3.46Å; L53-E56 PolarHBondContact O-N 3.26Å |
| 54 | E | 96.6 | Very high | 93.1 | Very high | 84 Ų | 84 | 48.4 Ų | 48.4 | 39% | 0.393 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 132.8 | 172.3 | -173.9 | 173.4 | -115.5 | 0 | 0 | 110.6 | R33 I35 E56 | R33-E54 HydrophobicContact CB-CB 3.99Å; R33-E54 WeakPolarHBondContact CB-OE2 3.14Å; R33-E54 WeakPolarHBondContact CD-OE2 3.47Å; R33-E54 IonicContact CZ-OE1 3.84Å; R33-E54 IonicContact CZ-OE2 3.89Å; R33-E54 VanDerWaalsContact NE-CD 3.34Å; R33-E54 IonicContact NE-OE1 3.44Å; R33-E54 PolarHBondContact NE-OE1 3.45Å; R33-E54 IonicContact NE-OE2 3.54Å; R33-E54 PolarHBondContact NE-OE2 3.29Å; R33-E54 IonicContact NH2-OE1 3.01Å; R33-E54 PolarHBondContact NH2-OE1 3.23Å; R33-E54 IonicContact NH2-OE2 3.64Å; R33-E54 PolarHBondContact NH2-OE2 3.27Å; R33-E54 WeakPolarHBondContact O-CB 3.42Å; R33-E54 PolarHBondContact O-N 3.1Å; I35-E54 HydrophobicContact CD1-CB 4.41Å; I35-E54 HydrophobicContact CD1-CG 4.34Å; E54-E56 VanDerWaalsContact C-N 3.34Å |
| 55 | G | 95.2 | Very high | 94.2 | Very high | 79 Ų | 79 | 47 Ų | 47 | 81% | 0.814 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | -20.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L53 | L53-G55 PolarHBondContact O-N 3.44Š|
| 56 | E | 96 | Very high | 95.2 | Very high | 51 Ų | 51 | 46 Ų | 46 | 24% | 0.238 | 23% | 0.229 | C | C | . | . | trans | -72.9 | 147.9 | 171.8 | -71.7 | -176.2 | 136.9 | 0 | 0 | 111.7 | K52 L53 E54 | K52-E56 HydrophobicContact CB-CB 4.26Å; K52-E56 WeakPolarHBondContact CD-O 3.33Å; K52-E56 WeakPolarHBondContact CE-O 3.49Å; K52-E56 PolarHBondContact NZ-O 2.99Å; L53-E56 HydrophobicContact CB-CG 3.92Å; L53-E56 VanDerWaalsContact CB-OE2 3.31Å; L53-E56 WeakPolarHBondContact CB-OE2 3.17Å; L53-E56 PolarHBondContact N-OE2 3.06Å; L53-E56 WeakPolarHBondContact O-CB 3.46Å; L53-E56 PolarHBondContact O-N 3.26Å; E54-E56 VanDerWaalsContact C-N 3.34Å | ||
| 57 | K | 94.4 | Very high | 95.6 | Very high | 190 Ų | 190 | 46.1 Ų | 46.1 | 83% | 0.826 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -77.5 | -50.5 | 172.3 | -65.4 | -171.8 | 178.5 | -175.3 | 0 | 111.6 | K52 | K52-K57 WeakPolarHBondContact CD-O 3.36Å; K52-K57 PolarHBondContact NZ-O 3.32Å |
| 58 | L | 95 | Very high | 95.5 | Very high | 105 Ų | 105 | 46 Ų | 46 | 55% | 0.55 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -94.6 | 141.1 | -165.1 | -61.2 | 172.4 | 0 | 0 | 0 | 113.9 | K52 R60 | K52-L58 VanDerWaalsContact CB-O 3.28Å; K52-L58 WeakPolarHBondContact CB-O 3.32Å; L58-R60 VanDerWaalsContact C-N 3.3Å; L58-R60 HydrophobicContact CB-CG 3.99Å; L58-R60 PolarHBondContact O-N 3.12Å |
| 59 | F | 95.7 | Very high | 95.2 | Very high | 69 Ų | 69 | 50.7 Ų | 50.7 | 30% | 0.303 | 25% | 0.251 | S | S | . | . | trans | -79.9 | 71.2 | 174.2 | -68.1 | -88.4 | 0 | 0 | 0 | 112.5 | A51 K52 R126 | A51-F59 CarbonylContact O-C 3.6Å; A51-F59 VanDerWaalsContact O-CA 3.31Å; A51-F59 WeakPolarHBondContact O-CA 3.49Å; K52-F59 HydrophobicContact CB-CD1 4.11Å; K52-F59 HydrophobicContact CB-CE1 4.47Å; K52-F59 HydrophobicContact CB-CG 4.49Å; K52-F59 HydrophobicContact CD-CD1 4.02Å; K52-F59 HydrophobicContact CD-CD2 4.17Å; K52-F59 HydrophobicContact CD-CE1 3.83Å; K52-F59 HydrophobicContact CD-CE2 3.99Å; K52-F59 HydrophobicContact CD-CG 4.19Å; K52-F59 HydrophobicContact CD-CZ 3.82Å; K52-F59 HydrophobicContact CG-CD1 3.88Å; K52-F59 HydrophobicContact CG-CE1 3.75Å; K52-F59 HydrophobicContact CG-CG 4.46Å; K52-F59 HydrophobicContact CG-CZ 4.24Å; F59-R126 VanDerWaalsContact O-CD 3.22Å; F59-R126 WeakPolarHBondContact O-CD 3.38Å; F59-R126 PolarHBondContact O-NH1 3.43Å; F59-R126 VanDerWaalsContact O-NH1 3.11Å | ||
| 60 | R | 95.5 | Very high | 94.7 | Very high | 155 Ų | 155 | 50.7 Ų | 50.7 | 59% | 0.585 | 25% | 0.251 | S | S | * | . | trans | -79.2 | -12.4 | -177.2 | -71.1 | 178.9 | 168.8 | -177.2 | -5.4 | 115.1 | A51 L58 R126 | A51-R60 PolarHBondContact O-N 3.1Å; L58-R60 VanDerWaalsContact C-N 3.3Å; L58-R60 HydrophobicContact CB-CG 3.99Å; L58-R60 PolarHBondContact O-N 3.12Å; R60-R126 WeakPolarHBondContact O-CB 3.19Å; R60-R126 PolarHBondContact O-N 3.05Å | ||
| 61 | Y | 97.2 | Very high | 94.3 | Very high | 38 Ų | 38 | 50.7 Ų | 50.7 | 15% | 0.149 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 173.1 | -174.7 | -60.5 | -80.9 | 0 | 0 | 0 | 111 | W34 A51 I107 V123 M124 | W34-Y61 HydrophobicContact CH2-CD2 4.42Å; W34-Y61 HydrophobicContact CH2-CE2 4.41Å; W34-Y61 HydrophobicContact CH2-CG 4.5Å; W34-Y61 HydrophobicContact CZ3-CD1 4.39Å; W34-Y61 AromaticContact CZ3-CD2 3.63Å; W34-Y61 HydrophobicContact CZ3-CD2 3.63Å; W34-Y61 AromaticContact CZ3-CE2 3.94Å; W34-Y61 HydrophobicContact CZ3-CE2 3.94Å; W34-Y61 AromaticContact CZ3-CG 3.85Å; W34-Y61 HydrophobicContact CZ3-CG 3.85Å; A51-Y61 PolarHBondContact N-O 3.47Å; A51-Y61 CarbonylContact O-C 3.51Å; A51-Y61 WeakPolarHBondContact O-CA 3.39Å; A51-Y61 WeakPolarHBondContact O-CB 3.46Å; A51-Y61 PolarHBondContact O-N 3.18Å; Y61-I107 HydrophobicContact CD1-CG1 4.1Å; Y61-I107 HydrophobicContact CD1-CG2 4.04Å; Y61-I107 HydrophobicContact CE1-CD1 4.04Å; Y61-I107 HydrophobicContact CE1-CG1 4.1Å; Y61-I107 HydrophobicContact CE1-CG2 3.87Å; Y61-V123 HydrophobicContact CD1-CG1 4.41Å; Y61-V123 HydrophobicContact CG-CG1 4.44Å; Y61-M124 CarbonylContact C-O 3.36Å; Y61-M124 WeakPolarHBondContact CA-O 3.44Å; Y61-M124 WeakPolarHBondContact CB-O 3.37Å |
| 62 | V | 96.4 | Very high | 94 | Very high | 11 Ų | 11 | 50.8 Ų | 50.8 | 7% | 0.067 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 147.1 | 169.9 | -54.3 | 0 | 0 | 0 | 0 | 110.2 | I40 I48 Y49 V123 M124 R126 | I40-V62 HydrophobicContact CD1-CB 4.04Å; I40-V62 HydrophobicContact CD1-CG1 3.36Å; I48-V62 HydrophobicContact CG2-CB 3.88Å; I48-V62 HydrophobicContact CG2-CG2 4.19Å; Y49-V62 CarbonylContact O-C 3.54Å; Y49-V62 WeakPolarHBondContact O-CA 3.26Å; V62-V123 WeakPolarHBondContact O-CA 3.22Å; V62-M124 HydrophobicContact CG2-CB 3.84Å; V62-M124 HydrophobicContact CG2-CE 3.85Å; V62-M124 PolarHBondContact N-O 3.13Å; V62-M124 PolarHBondContact O-N 3.38Å; V62-R126 HydrophobicContact CG1-CB 3.8Å; V62-R126 HydrophobicContact CG1-CG 3.78Å |
| 63 | I | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 112.6 | 173.8 | -71.6 | 171.7 | 0 | 0 | 0 | 108.9 | I26 W34 T36 I48 Y49 A51 I65 F121 L122 V123 | I26-I63 HydrophobicContact CD1-CD1 4.39Å; I26-I63 HydrophobicContact CD1-CG2 4.36Å; W34-I63 HydrophobicContact CB-CD1 3.9Å; W34-I63 HydrophobicContact CG-CD1 4.46Å; T36-I63 HydrophobicContact CG2-CD1 4.47Å; I48-I63 WeakPolarHBondContact CA-O 3.44Å; Y49-I63 PolarHBondContact N-O 3.26Å; Y49-I63 PolarHBondContact O-N 3.27Å; A51-I63 HydrophobicContact CB-CB 4.29Å; A51-I63 HydrophobicContact CB-CD1 3.63Å; A51-I63 HydrophobicContact CB-CG1 3.57Å; I63-I65 HydrophobicContact CG2-CG2 3.78Å; I63-F121 HydrophobicContact CG2-CB 4.03Å; I63-F121 HydrophobicContact CG2-CD2 4.26Å; I63-F121 HydrophobicContact CG2-CG 4.48Å; I63-L122 WeakPolarHBondContact CA-O 3.35Å; I63-V123 HydrophobicContact CG1-CG1 4.42Å; I63-V123 HydrophobicContact CG1-CG2 4.12Å |
| 64 | K | 95.5 | Very high | 93.5 | Very high | 20 Ų | 20 | 46.5 Ų | 46.5 | 9% | 0.087 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 126.7 | 168.3 | -178.6 | 175.2 | 177 | -175.8 | 0 | 108.7 | R47 I48 E66 L73 E76 F121 L122 M124 D187 | R47-K64 CarbonylContact O-C 3.2Å; R47-K64 WeakPolarHBondContact O-CA 3.5Å; I48-K64 HydrophobicContact CG1-CB 4.33Å; I48-K64 HydrophobicContact CG1-CG 4.29Å; K64-E66 WeakPolarHBondContact CE-OE1 3.3Å; K64-E66 IonicContact NZ-OE1 2.83Å; K64-L73 HydrophobicContact CD-CD1 3.95Å; K64-L73 HydrophobicContact CG-CD1 4.11Å; K64-E76 WeakPolarHBondContact CE-OE2 3.47Å; K64-E76 IonicContact NZ-OE1 3.3Å; K64-E76 IonicContact NZ-OE2 2.73Å; K64-E76 PolarHBondContact NZ-OE2 3.06Å; K64-F121 CarbonylContact O-C 3.58Å; K64-F121 WeakPolarHBondContact O-CA 3.35Å; K64-L122 PolarHBondContact N-O 2.9Å; K64-L122 PolarHBondContact O-N 3.11Å; K64-M124 HydrophobicContact CB-CE 4.05Å; K64-D187 IonicContact NZ-OD1 3.11Å |
| 65 | I | 94.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 141 | 175.7 | 73.5 | 176.3 | 0 | 0 | 0 | 110.8 | A17 I20 G46 R47 Y49 I63 L119 R120 F121 | A17-I65 HydrophobicContact CB-CD1 3.71Å; A17-I65 HydrophobicContact CB-CG1 3.9Å; I20-I65 HydrophobicContact CD1-CD1 3.45Å; I20-I65 VanDerWaalsContact CD1-CD1 3.45Å; I20-I65 HydrophobicContact CD1-CG2 4.2Å; I20-I65 HydrophobicContact CG1-CD1 3.76Å; G46-I65 CarbonylContact C-O 3.48Å; G46-I65 WeakPolarHBondContact CA-O 3.29Å; R47-I65 HydrophobicContact CB-CD1 4.47Å; R47-I65 HydrophobicContact CB-CG1 4.23Å; R47-I65 PolarHBondContact N-O 2.57Å; R47-I65 VanDerWaalsContact N-O 3.1Å; R47-I65 PolarHBondContact O-N 3.22Å; Y49-I65 HydrophobicContact CE2-CD1 3.61Å; Y49-I65 HydrophobicContact CE2-CG1 4.01Å; Y49-I65 HydrophobicContact CE2-CG2 4.49Å; I63-I65 HydrophobicContact CG2-CG2 3.78Å; I65-L119 HydrophobicContact CD1-CD1 4.32Å; I65-R120 WeakPolarHBondContact CA-O 3.37Å; I65-F121 HydrophobicContact CG2-CB 4.03Å |
| 66 | E | 93.7 | Very high | 93.4 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.019 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 151.1 | 164.9 | -65.2 | -173.6 | -172.2 | 0 | 0 | 108.8 | F45 K64 N70 L73 L119 R120 | F45-E66 HydrophobicContact CB-CG 4.24Å; F45-E66 WeakPolarHBondContact O-CG 3.46Å; K64-E66 WeakPolarHBondContact CE-OE1 3.3Å; K64-E66 IonicContact NZ-OE1 2.83Å; E66-N70 HydrophobicContact CB-CB 4.1Å; E66-L73 HydrophobicContact CB-CB 3.9Å; E66-L73 HydrophobicContact CB-CD2 3.83Å; E66-L73 HydrophobicContact CG-CB 3.76Å; E66-L73 HydrophobicContact CG-CD2 3.94Å; E66-L73 HydrophobicContact CG-CG 4.45Å; E66-L73 VanDerWaalsContact OE2-CB 3.3Å; E66-L73 WeakPolarHBondContact OE2-CB 3.39Å; E66-L73 PolarHBondContact OE2-N 2.64Å; E66-L119 WeakPolarHBondContact O-CA 3.29Å; E66-R120 PolarHBondContact N-O 2.88Å; E66-R120 PolarHBondContact O-N 3.49Å; E66-R120 VanDerWaalsContact O-O 3.07Å |
| 67 | P | 92.3 | Very high | 93.3 | Very high | 7 Ų | 7 | 37 Ų | 37 | 5% | 0.045 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.7 | 141.8 | 166.6 | -29.9 | 39 | 0 | 0 | 0 | 112.2 | S15 A17 E69 N70 L119 | S15-P67 WeakPolarHBondContact OG-CB 3.19Å; S15-P67 WeakPolarHBondContact OG-CG 3.32Å; A17-P67 HydrophobicContact CB-CG 4.42Å; P67-E69 VanDerWaalsContact CB-CD 3.46Å; P67-E69 HydrophobicContact CB-CG 4.42Å; P67-E69 WeakPolarHBondContact CB-OE1 3.3Å; P67-E69 WeakPolarHBondContact CB-OE2 3.4Å; P67-E69 PolarHBondContact O-N 2.89Å; P67-E69 VanDerWaalsContact O-N 3.09Å; P67-N70 WeakPolarHBondContact O-CB 3.3Å; P67-N70 PolarHBondContact O-N 3.33Å; P67-L119 HydrophobicContact CG-CD2 4.43Å |
| 68 | Q | 90.3 | Very high | 93.3 | Very high | 26 Ų | 26 | 28.7 Ų | 28.7 | 12% | 0.121 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -18.1 | -166.8 | -149.2 | -171 | 31 | 0 | 0 | 113.6 | S111 A118 R120 R610 | Q68-S111 PolarHBondContact NE2-OG 3.34Å; Q68-A118 HydrophobicContact CB-CB 4Å; Q68-A118 WeakPolarHBondContact CB-O 3.12Å; Q68-A118 PolarHBondContact N-O 3.49Å; Q68-R120 HydrophobicContact CG-CB 4.3Å; Q68-R120 PolarHBondContact O-NH1 3.32Å; Q68-R610 VanDerWaalsContact CD-CZ 3.48Å; Q68-R610 VanDerWaalsContact OE1-CD 3.27Å |
| 69 | E | 87.3 | Confident | 93.3 | Very high | 128 Ų | 128 | 23.7 Ų | 23.7 | 60% | 0.598 | 10% | 0.104 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -18.5 | 171.5 | 68 | -86.4 | -156.7 | 0 | 0 | 114.6 | S15 P67 G71 | S15-E69 PolarHBondContact OG-OE1 3.21Å; P67-E69 VanDerWaalsContact CB-CD 3.46Å; P67-E69 HydrophobicContact CB-CG 4.42Å; P67-E69 WeakPolarHBondContact CB-OE1 3.3Å; P67-E69 WeakPolarHBondContact CB-OE2 3.4Å; P67-E69 PolarHBondContact O-N 2.89Å; P67-E69 VanDerWaalsContact O-N 3.09Å; E69-G71 PolarHBondContact O-N 2.9Å |
| 70 | N | 87.1 | Confident | 93.4 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.011 | 9% | 0.09 | C | C | . | . | trans | -72 | 129.1 | -179.9 | -75.6 | -1.4 | 0 | 0 | 0 | 111.1 | Y14 S15 F45 E66 P67 | Y14-N70 WeakPolarHBondContact CD1-OD1 3.31Å; S15-N70 PolarHBondContact O-ND2 2.96Å; F45-N70 PolarHBondContact O-ND2 3.43Å; F45-N70 VanDerWaalsContact O-ND2 3.15Å; E66-N70 HydrophobicContact CB-CB 4.1Å; P67-N70 WeakPolarHBondContact O-CB 3.3Å; P67-N70 PolarHBondContact O-N 3.33Å | ||
| 71 | G | 87.8 | Confident | 93.4 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 2% | 0.021 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -74.2 | -34.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | E69 F74 T75 C593 | E69-G71 PolarHBondContact O-N 2.9Å; G71-F74 PolarHBondContact O-N 2.96Å; G71-T75 WeakPolarHBondContact O-CB 3.28Å; G71-T75 PolarHBondContact O-N 3.2Å; G71-T75 PolarHBondContact O-OG1 3.44Å; G71-C593 WeakPolarHBondContact CA-SG 3.35Å |
| 72 | P | 90.7 | Very high | 93.3 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.013 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -57.8 | -55.4 | -177.9 | -29.6 | 38.1 | 0 | 0 | 0 | 113.7 | F45 F74 T75 E76 | F45-P72 HydrophobicContact CD2-CB 4.18Å; F45-P72 HydrophobicContact CD2-CG 3.76Å; F45-P72 HydrophobicContact CE2-CG 3.87Å; F45-P72 HydrophobicContact CG-CG 4.18Å; F45-P72 HydrophobicContact CZ-CG 4.38Å; P72-F74 VanDerWaalsContact C-N 3.27Å; P72-F74 PolarHBondContact O-N 3.44Å; P72-T75 WeakPolarHBondContact O-CB 3.25Å; P72-T75 PolarHBondContact O-N 3.3Å; P72-T75 VanDerWaalsContact O-N 3.11Å; P72-E76 WeakPolarHBondContact O-CB 3.34Å; P72-E76 PolarHBondContact O-N 3.15Å |
| 73 | L | 93.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.4 | -26.6 | 179 | -172 | 61.4 | 0 | 0 | 0 | 113.7 | K64 E66 M77 R120 L122 | K64-L73 HydrophobicContact CD-CD1 3.95Å; K64-L73 HydrophobicContact CG-CD1 4.11Å; E66-L73 HydrophobicContact CB-CB 3.9Å; E66-L73 HydrophobicContact CB-CD2 3.83Å; E66-L73 HydrophobicContact CG-CB 3.76Å; E66-L73 HydrophobicContact CG-CD2 3.94Å; E66-L73 HydrophobicContact CG-CG 4.45Å; E66-L73 VanDerWaalsContact OE2-CB 3.3Å; E66-L73 WeakPolarHBondContact OE2-CB 3.39Å; E66-L73 PolarHBondContact OE2-N 2.64Å; L73-M77 WeakPolarHBondContact O-CB 3.26Å; L73-M77 PolarHBondContact O-N 3.06Å; L73-R120 HydrophobicContact CD2-CB 4.24Å; L73-R120 HydrophobicContact CD2-CG 4.16Å; L73-R120 WeakPolarHBondContact CD2-O 3.41Å; L73-R120 HydrophobicContact CG-CG 4.32Å; L73-L122 HydrophobicContact CD1-CB 3.75Å; L73-L122 HydrophobicContact CD1-CD2 4.11Å |
| 74 | F | 92.9 | Very high | 93.3 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 1% | 0.013 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -66.3 | -44.7 | 171.6 | 177.4 | -101.6 | 0 | 0 | 0 | 111.8 | G71 P72 M77 H78 C593 T595 V602 A603 | G71-F74 PolarHBondContact O-N 2.96Å; P72-F74 VanDerWaalsContact C-N 3.27Å; P72-F74 PolarHBondContact O-N 3.44Å; F74-M77 HydrophobicContact CD2-CE 4.31Å; F74-H78 AromaticContact CD2-CD2 3.79Å; F74-H78 AromaticContact CD2-NE2 3.93Å; F74-H78 AromaticContact CE1-CD2 3.7Å; F74-H78 AromaticContact CE2-CD2 3.32Å; F74-H78 WeakPolarHBondContact CE2-CD2 3.46Å; F74-H78 AromaticContact CE2-NE2 3.11Å; F74-H78 WeakPolarHBondContact CE2-NE2 3.29Å; F74-H78 AromaticContact CZ-CD2 3.25Å; F74-H78 WeakPolarHBondContact CZ-CD2 3.43Å; F74-H78 AromaticContact CZ-NE2 3.25Å; F74-H78 WeakPolarHBondContact CZ-NE2 3.32Å; F74-H78 PolarHBondContact O-CD2 3.48Å; F74-H78 PolarHBondContact O-N 3.12Å; F74-C593 HydrophobicContact CD1-CB 4.1Å; F74-T595 HydrophobicContact CD1-CG2 4.35Å; F74-T595 HydrophobicContact CE1-CG2 4.47Å; F74-V602 HydrophobicContact CZ-CB 4.47Å; F74-V602 HydrophobicContact CZ-CG1 4.31Å; F74-A603 HydrophobicContact CD1-CB 4.48Å; F74-A603 HydrophobicContact CE1-CB 3.64Å; F74-A603 HydrophobicContact CE2-CB 4.4Å; F74-A603 HydrophobicContact CZ-CB 3.58Å |
| 75 | T | 92.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.4 | -49 | 178.6 | -53.6 | 0 | 0 | 0 | 0 | 110.6 | G71 P72 H78 F79 V191 T595 | G71-T75 WeakPolarHBondContact O-CB 3.28Å; G71-T75 PolarHBondContact O-N 3.2Å; G71-T75 PolarHBondContact O-OG1 3.44Å; P72-T75 WeakPolarHBondContact O-CB 3.25Å; P72-T75 PolarHBondContact O-N 3.3Å; P72-T75 VanDerWaalsContact O-N 3.11Å; T75-H78 PolarHBondContact O-N 2.75Å; T75-F79 PolarHBondContact O-N 3.32Å; T75-V191 HydrophobicContact CG2-CG1 4.03Å; T75-V191 VanDerWaalsContact CG2-O 3.31Å; T75-V191 WeakPolarHBondContact CG2-O 3.2Å; T75-T595 HydrophobicContact CG2-CG2 3.79Å; T75-T595 WeakPolarHBondContact OG1-CG2 3.3Å |
| 76 | E | 95.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.009 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.5 | -51.2 | 177.1 | 171.4 | 165.9 | -117 | 0 | 0 | 112.8 | K64 P72 H78 F79 Y80 L122 D187 F188 | K64-E76 WeakPolarHBondContact CE-OE2 3.47Å; K64-E76 IonicContact NZ-OE1 3.3Å; K64-E76 IonicContact NZ-OE2 2.73Å; K64-E76 PolarHBondContact NZ-OE2 3.06Å; P72-E76 WeakPolarHBondContact O-CB 3.34Å; P72-E76 PolarHBondContact O-N 3.15Å; E76-H78 PolarHBondContact O-N 2.94Å; E76-F79 WeakPolarHBondContact O-CB 3.27Å; E76-F79 PolarHBondContact O-N 3.26Å; E76-F79 VanDerWaalsContact O-N 3.12Å; E76-Y80 HydrophobicContact CG-CD2 3.74Å; E76-Y80 HydrophobicContact CG-CE2 3.62Å; E76-Y80 WeakPolarHBondContact O-CD2 3.31Å; E76-Y80 PolarHBondContact O-N 3.12Å; E76-L122 HydrophobicContact CG-CD2 3.91Å; E76-D187 WeakPolarHBondContact OE1-CA 3.22Å; E76-F188 HydrophobicContact CB-CB 4.14Å; E76-F188 HydrophobicContact CG-CB 3.99Å; E76-F188 PolarHBondContact OE1-N 3.41Å |
| 77 | M | 94.9 | Very high | 93.6 | Very high | 10 Ų | 10 | 31 Ų | 31 | 5% | 0.049 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -54.2 | -42.1 | 178.2 | 179.6 | -169.7 | 77.2 | 0 | 0 | 111.8 | L73 F74 Y80 M81 S109 R120 L122 | L73-M77 WeakPolarHBondContact O-CB 3.26Å; L73-M77 PolarHBondContact O-N 3.06Å; F74-M77 HydrophobicContact CD2-CE 4.31Å; M77-Y80 PolarHBondContact O-N 3.31Å; M77-M81 HydrophobicContact CE-SD 4.23Å; M77-M81 HydrophobicContact CG-SD 3.91Å; M77-M81 VanDerWaalsContact O-CG 3.26Å; M77-M81 WeakPolarHBondContact O-CG 3.45Å; M77-M81 PolarHBondContact O-N 3.38Å; M77-M81 HydrophobicContact SD-SD 4.42Å; M77-S109 VanDerWaalsContact SD-CB 3.58Å; M77-S109 PolarHBondContact SD-OG 2.81Å; M77-S109 VanDerWaalsContact SD-OG 3.39Å; M77-R120 HydrophobicContact SD-CG 4.11Å; M77-L122 HydrophobicContact CG-CD1 4.44Å |
| 78 | H | 93.4 | Very high | 93.8 | Very high | 16 Ų | 16 | 31.7 Ų | 31.7 | 7% | 0.074 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -72.9 | -31.4 | 179.7 | -88.6 | -51.3 | 0 | 0 | 0 | 114.6 | F74 T75 E76 R82 L599 V602 | F74-H78 AromaticContact CD2-CD2 3.79Å; F74-H78 AromaticContact CD2-NE2 3.93Å; F74-H78 AromaticContact CE1-CD2 3.7Å; F74-H78 AromaticContact CE2-CD2 3.32Å; F74-H78 WeakPolarHBondContact CE2-CD2 3.46Å; F74-H78 AromaticContact CE2-NE2 3.11Å; F74-H78 WeakPolarHBondContact CE2-NE2 3.29Å; F74-H78 AromaticContact CZ-CD2 3.25Å; F74-H78 WeakPolarHBondContact CZ-CD2 3.43Å; F74-H78 AromaticContact CZ-NE2 3.25Å; F74-H78 WeakPolarHBondContact CZ-NE2 3.32Å; F74-H78 PolarHBondContact O-CD2 3.48Å; F74-H78 PolarHBondContact O-N 3.12Å; T75-H78 PolarHBondContact O-N 2.75Å; E76-H78 PolarHBondContact O-N 2.94Å; H78-R82 WeakPolarHBondContact O-CB 3.38Å; H78-R82 VanDerWaalsContact O-CG 3.28Å; H78-R82 WeakPolarHBondContact O-CG 3.31Å; H78-R82 PolarHBondContact O-N 3.05Å; H78-L599 HydrophobicContact CB-CD2 3.52Å; H78-V602 WeakPolarHBondContact NE2-CG1 3.46Å |
| 79 | F | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.5 | -50.2 | 168.9 | 163.6 | -102.4 | 0 | 0 | 0 | 110.4 | T75 E76 M81 R82 A83 C84 M159 Y164 F188 V191 | T75-F79 PolarHBondContact O-N 3.32Å; E76-F79 WeakPolarHBondContact O-CB 3.27Å; E76-F79 PolarHBondContact O-N 3.26Å; E76-F79 VanDerWaalsContact O-N 3.12Å; F79-M81 PolarHBondContact O-N 3.48Å; F79-R82 PolarHBondContact O-N 3.28Å; F79-R82 VanDerWaalsContact O-N 3.13Å; F79-A83 HydrophobicContact CD2-CB 3.79Å; F79-A83 HydrophobicContact CE2-CB 3.58Å; F79-A83 HydrophobicContact CZ-CB 4.24Å; F79-A83 WeakPolarHBondContact O-CB 3.33Å; F79-A83 PolarHBondContact O-N 3.44Å; F79-C84 WeakPolarHBondContact CE1-SG 2.98Å; F79-M159 HydrophobicContact CE2-CE 3.96Å; F79-M159 HydrophobicContact CE2-CG 4.19Å; F79-M159 HydrophobicContact CZ-CE 3.84Å; F79-M159 HydrophobicContact CZ-CG 3.92Å; F79-M159 HydrophobicContact CZ-SD 4.19Å; F79-Y164 HydrophobicContact CB-CE1 4.4Å; F79-Y164 AromaticContact CD2-CD1 3.86Å; F79-Y164 HydrophobicContact CD2-CD1 3.86Å; F79-Y164 AromaticContact CD2-CD2 3.63Å; F79-Y164 HydrophobicContact CD2-CD2 3.63Å; F79-Y164 HydrophobicContact CD2-CE1 4.21Å; F79-Y164 HydrophobicContact CD2-CE2 4.04Å; F79-Y164 AromaticContact CD2-CG 3.55Å; F79-Y164 HydrophobicContact CD2-CG 3.55Å; F79-Y164 AromaticContact CE2-CD2 3.99Å; F79-Y164 HydrophobicContact CE2-CD2 3.99Å; F79-Y164 AromaticContact CE2-CG 3.94Å; F79-Y164 HydrophobicContact CE2-CG 3.94Å; F79-F188 HydrophobicContact CD1-CB 3.89Å; F79-F188 AromaticContact CD1-CD1 3.82Å; F79-F188 HydrophobicContact CD1-CD1 3.82Å; F79-F188 AromaticContact CD1-CD2 3.87Å; F79-F188 HydrophobicContact CD1-CD2 3.87Å; F79-F188 HydrophobicContact CD1-CE1 4.33Å; F79-F188 HydrophobicContact CD1-CE2 4.36Å; F79-F188 AromaticContact CD1-CG 3.57Å; F79-F188 HydrophobicContact CD1-CG 3.57Å; F79-F188 HydrophobicContact CE1-CB 4.41Å; F79-F188 AromaticContact CE1-CD1 3.48Å; F79-F188 HydrophobicContact CE1-CD1 3.48Å; F79-F188 VanDerWaalsContact CE1-CD1 3.48Å; F79-F188 AromaticContact CE1-CD2 3.77Å; F79-F188 HydrophobicContact CE1-CD2 3.77Å; F79-F188 AromaticContact CE1-CE1 3.53Å; F79-F188 HydrophobicContact CE1-CE1 3.53Å; F79-F188 AromaticContact CE1-CE2 3.81Å; F79-F188 HydrophobicContact CE1-CE2 3.81Å; F79-F188 AromaticContact CE1-CG 3.61Å; F79-F188 HydrophobicContact CE1-CG 3.61Å; F79-F188 AromaticContact CE1-CZ 3.69Å; F79-F188 HydrophobicContact CE1-CZ 3.69Å; F79-F188 HydrophobicContact CZ-CD1 4.1Å; F79-F188 AromaticContact CZ-CE1 3.96Å; F79-F188 HydrophobicContact CZ-CE1 3.96Å; F79-F188 HydrophobicContact CZ-CZ 4.35Å; F79-V191 HydrophobicContact CB-CG1 3.53Å; F79-V191 HydrophobicContact CD2-CG1 4.39Å; F79-V191 HydrophobicContact CD2-CG2 4.05Å; F79-V191 HydrophobicContact CE2-CG2 4.42Å; F79-V191 HydrophobicContact CG-CG1 3.94Å; F79-V191 HydrophobicContact CG-CG2 4.26Å |
| 80 | Y | 97.2 | Very high | 94.6 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -53.4 | -50.3 | 176.2 | -86.1 | -70.9 | 0 | 0 | 0 | 112.4 | E76 M77 R82 C84 P104 L122 M124 F188 | E76-Y80 HydrophobicContact CG-CD2 3.74Å; E76-Y80 HydrophobicContact CG-CE2 3.62Å; E76-Y80 WeakPolarHBondContact O-CD2 3.31Å; E76-Y80 PolarHBondContact O-N 3.12Å; M77-Y80 PolarHBondContact O-N 3.31Å; Y80-R82 VanDerWaalsContact C-N 3.29Å; Y80-R82 PolarHBondContact O-N 2.69Å; Y80-C84 HydrophobicContact CD1-CB 3.68Å; Y80-C84 HydrophobicContact CE1-CB 4.41Å; Y80-C84 WeakPolarHBondContact O-CA 3.5Å; Y80-C84 WeakPolarHBondContact O-CB 3.48Å; Y80-C84 PolarHBondContact O-N 3.08Å; Y80-P104 HydrophobicContact CE1-CB 4.08Å; Y80-P104 WeakPolarHBondContact CE1-O 3.39Å; Y80-L122 HydrophobicContact CD2-CD1 4.25Å; Y80-L122 HydrophobicContact CD2-CD2 3.6Å; Y80-L122 HydrophobicContact CE2-CD2 3.59Å; Y80-M124 HydrophobicContact CE2-SD 4.07Å; Y80-M124 PolarHBondContact OH-SD 2.97Å; Y80-F188 HydrophobicContact CD2-CD2 4.46Å; Y80-F188 HydrophobicContact CE1-CE2 4.36Å; Y80-F188 AromaticContact CE2-CD2 3.67Å; Y80-F188 HydrophobicContact CE2-CD2 3.67Å; Y80-F188 HydrophobicContact CE2-CE2 4.14Å; Y80-F188 AromaticContact CZ-CD2 3.78Å; Y80-F188 AromaticContact CZ-CE2 3.74Å; Y80-F188 WeakPolarHBondContact OH-CE2 3.44Å |
| 81 | M | 95.2 | Very high | 95.2 | Very high | 92 Ų | 92 | 31.4 Ų | 31.4 | 45% | 0.453 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.1 | -25.3 | -179.9 | -69.7 | 172.1 | 73.6 | 0 | 0 | 114.7 | M77 F79 Y106 | M77-M81 HydrophobicContact CE-SD 4.23Å; M77-M81 HydrophobicContact CG-SD 3.91Å; M77-M81 VanDerWaalsContact O-CG 3.26Å; M77-M81 WeakPolarHBondContact O-CG 3.45Å; M77-M81 PolarHBondContact O-N 3.38Å; M77-M81 HydrophobicContact SD-SD 4.42Å; F79-M81 PolarHBondContact O-N 3.48Å; M81-Y106 HydrophobicContact CG-CD2 4.38Å; M81-Y106 HydrophobicContact CG-CE1 4.1Å; M81-Y106 HydrophobicContact CG-CE2 3.86Å |
| 82 | R | 95.1 | Very high | 95.7 | Very high | 88 Ų | 88 | 32.8 Ų | 32.8 | 33% | 0.332 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -100.4 | -29.9 | -177.1 | -71.4 | 173.2 | 169.4 | -148.7 | -0 | 113.7 | H78 F79 Y80 R162 Y164 E598 | H78-R82 WeakPolarHBondContact O-CB 3.38Å; H78-R82 VanDerWaalsContact O-CG 3.28Å; H78-R82 WeakPolarHBondContact O-CG 3.31Å; H78-R82 PolarHBondContact O-N 3.05Å; F79-R82 PolarHBondContact O-N 3.28Å; F79-R82 VanDerWaalsContact O-N 3.13Å; Y80-R82 VanDerWaalsContact C-N 3.29Å; Y80-R82 PolarHBondContact O-N 2.69Å; R82-R162 PolarHBondContact O-NH1 3.45Å; R82-Y164 WeakPolarHBondContact CD-OH 3.17Å; R82-E598 IonicContact CZ-OE2 3.71Å; R82-E598 IonicContact NH1-OE2 3.75Å; R82-E598 PolarHBondContact NH1-OE2 3.41Å; R82-E598 IonicContact NH2-OE2 3.4Å |
| 83 | A | 96 | Very high | 96 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -121.4 | -16.8 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F79 Y158 R162 Y164 | F79-A83 HydrophobicContact CD2-CB 3.79Å; F79-A83 HydrophobicContact CE2-CB 3.58Å; F79-A83 HydrophobicContact CZ-CB 4.24Å; F79-A83 WeakPolarHBondContact O-CB 3.33Å; F79-A83 PolarHBondContact O-N 3.44Å; A83-Y158 VanDerWaalsContact O-CE1 3.25Å; A83-Y158 WeakPolarHBondContact O-CE1 3.39Å; A83-Y158 VanDerWaalsContact O-CZ 3.3Å; A83-Y158 PolarHBondContact O-OH 3.38Å; A83-R162 HydrophobicContact CB-CB 4.16Å; A83-R162 HydrophobicContact CB-CG 4.43Å; A83-Y164 HydrophobicContact CB-CD2 4.2Å; A83-Y164 HydrophobicContact CB-CE2 4.27Å |
| 84 | C | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -116.1 | 32.7 | -170.5 | -57.2 | 0 | 0 | 0 | 0 | 113.9 | F79 Y80 I89 I103 P104 R105 Y106 | F79-C84 WeakPolarHBondContact CE1-SG 2.98Å; Y80-C84 HydrophobicContact CD1-CB 3.68Å; Y80-C84 HydrophobicContact CE1-CB 4.41Å; Y80-C84 WeakPolarHBondContact O-CA 3.5Å; Y80-C84 WeakPolarHBondContact O-CB 3.48Å; Y80-C84 PolarHBondContact O-N 3.08Å; C84-I89 HydrophobicContact CB-CD1 4.34Å; C84-I103 HydrophobicContact CB-CG2 4.47Å; C84-P104 WeakPolarHBondContact CB-O 3.35Å; C84-R105 WeakPolarHBondContact O-CA 3.14Å; C84-Y106 PolarHBondContact O-N 2.89Å | ||
| 85 | S | 96.6 | Very high | 96.5 | Very high | 51 Ų | 51 | 48.5 Ų | 48.5 | 36% | 0.357 | 25% | 0.25 | S | S | . | . | trans | -67 | 141.5 | 168.9 | 59.5 | 0 | 0 | 0 | 0 | 110.8 | D87 S88 I89 | S85-D87 VanDerWaalsContact C-N 3.3Å; S85-D87 PolarHBondContact O-N 3.17Å; S85-S88 WeakPolarHBondContact O-CB 3.43Å; S85-S88 PolarHBondContact O-N 3.04Å; S85-S88 VanDerWaalsContact OG-CB 3.25Å; S85-S88 WeakPolarHBondContact OG-CB 3.32Å; S85-I89 PolarHBondContact O-N 3.43Å | ||
| 86 | E | 96.1 | Very high | 96.7 | Very high | 93 Ų | 93 | 51.3 Ų | 51.3 | 44% | 0.435 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.3 | -39.1 | -176 | -170.6 | 156.6 | -179.5 | 0 | 0 | 111.8 | S88 I89 N90 R105 | E86-S88 VanDerWaalsContact C-N 3.31Å; E86-S88 PolarHBondContact O-N 2.88Å; E86-I89 PolarHBondContact O-N 3.31Å; E86-N90 WeakPolarHBondContact O-CB 3.37Å; E86-N90 VanDerWaalsContact O-CG 3.28Å; E86-N90 PolarHBondContact O-N 2.91Å; E86-N90 PolarHBondContact O-ND2 3.22Å; E86-R105 IonicContact OE1-NH1 3.67Å; E86-R105 WeakPolarHBondContact OE2-CD 3.45Å; E86-R105 IonicContact OE2-CZ 3.7Å; E86-R105 IonicContact OE2-NE 3.65Å; E86-R105 IonicContact OE2-NH1 2.88Å; E86-R105 PolarHBondContact OE2-NH1 2.96Å |
| 87 | D | 96.9 | Very high | 96.8 | Very high | 124 Ų | 124 | 55.8 Ų | 55.8 | 66% | 0.663 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -59.5 | -37.9 | 173.6 | -53 | -46.5 | 0 | 0 | 0 | 112.9 | S85 S91 | S85-D87 VanDerWaalsContact C-N 3.3Å; S85-D87 PolarHBondContact O-N 3.17Å; D87-S91 WeakPolarHBondContact O-CB 3.43Å; D87-S91 PolarHBondContact O-N 3.33Å; D87-S91 PolarHBondContact O-OG 3.24Å |
| 88 | S | 96.8 | Very high | 96.9 | Very high | 22 Ų | 22 | 57.2 Ų | 57.2 | 15% | 0.154 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.3 | -41.4 | -179.9 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | S85 E86 N90 S91 W92 Y158 R162 | S85-S88 WeakPolarHBondContact O-CB 3.43Å; S85-S88 PolarHBondContact O-N 3.04Å; S85-S88 VanDerWaalsContact OG-CB 3.25Å; S85-S88 WeakPolarHBondContact OG-CB 3.32Å; E86-S88 VanDerWaalsContact C-N 3.31Å; E86-S88 PolarHBondContact O-N 2.88Å; S88-N90 VanDerWaalsContact C-N 3.35Å; S88-S91 PolarHBondContact O-N 3.08Å; S88-W92 WeakPolarHBondContact O-CB 3.31Å; S88-W92 PolarHBondContact O-N 3.19Å; S88-Y158 WeakPolarHBondContact CB-OH 3.36Å; S88-Y158 PolarHBondContact OG-OH 3.23Å; S88-R162 PolarHBondContact OG-NE 3.21Å; S88-R162 PolarHBondContact OG-NH2 2.82Å |
| 89 | I | 98 | Very high | 96.9 | Very high | 11 Ų | 11 | 66.4 Ų | 66.4 | 6% | 0.056 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 175.1 | -70.7 | 163 | 0 | 0 | 0 | 110.1 | C84 S85 E86 K93 L101 I103 R105 | C84-I89 HydrophobicContact CB-CD1 4.34Å; S85-I89 PolarHBondContact O-N 3.43Å; E86-I89 PolarHBondContact O-N 3.31Å; I89-K93 WeakPolarHBondContact O-CG 3.49Å; I89-K93 PolarHBondContact O-N 2.61Å; I89-K93 VanDerWaalsContact O-N 3.08Å; I89-L101 HydrophobicContact CG2-CD2 4.24Å; I89-I103 HydrophobicContact CD1-CG2 4.02Å; I89-I103 HydrophobicContact CG1-CG2 4.23Å; I89-R105 HydrophobicContact CD1-CB 3.91Å |
| 90 | N | 97.9 | Very high | 96.8 | Very high | 62 Ų | 62 | 67.5 Ų | 67.5 | 33% | 0.332 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.9 | -43.5 | 177 | -70.8 | -30.1 | 0 | 0 | 0 | 112.3 | E86 S88 W92 K93 V94 | E86-N90 WeakPolarHBondContact O-CB 3.37Å; E86-N90 VanDerWaalsContact O-CG 3.28Å; E86-N90 PolarHBondContact O-N 2.91Å; E86-N90 PolarHBondContact O-ND2 3.22Å; S88-N90 VanDerWaalsContact C-N 3.35Å; N90-W92 VanDerWaalsContact C-N 3.32Å; N90-W92 PolarHBondContact O-N 3.09Å; N90-K93 PolarHBondContact O-N 2.93Å; N90-K93 WeakPolarHBondContact OD1-CE 3.35Å; N90-K93 PolarHBondContact OD1-NZ 3.26Å; N90-V94 WeakPolarHBondContact O-CG2 3.49Å; N90-V94 PolarHBondContact O-N 2.95Å |
| 91 | S | 97.9 | Very high | 96.8 | Very high | 78 Ų | 78 | 67.6 Ų | 67.6 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 175.8 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | D87 S88 K95 | D87-S91 WeakPolarHBondContact O-CB 3.43Å; D87-S91 PolarHBondContact O-N 3.33Å; D87-S91 PolarHBondContact O-OG 3.24Å; S88-S91 PolarHBondContact O-N 3.08Å; S91-K95 WeakPolarHBondContact O-CB 3.15Å; S91-K95 PolarHBondContact O-N 2.67Å |
| 92 | W | 98.4 | Very high | 96.9 | Very high | 31 Ų | 31 | 63.2 Ų | 63.2 | 12% | 0.117 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 176 | -178.2 | -87 | 0 | 0 | 0 | 112.6 | S88 N90 V94 K95 H96 L101 E157 Y158 S161 | S88-W92 WeakPolarHBondContact O-CB 3.31Å; S88-W92 PolarHBondContact O-N 3.19Å; N90-W92 VanDerWaalsContact C-N 3.32Å; N90-W92 PolarHBondContact O-N 3.09Å; W92-V94 PolarHBondContact O-N 2.86Å; W92-K95 PolarHBondContact O-N 2.89Å; W92-H96 AromaticContact CD1-ND1 3.7Å; W92-H96 AromaticContact CD2-CE1 3.31Å; W92-H96 AromaticContact CD2-ND1 3.35Å; W92-H96 VanDerWaalsContact CD2-ND1 3.35Å; W92-H96 AromaticContact CE2-CE1 3.33Å; W92-H96 AromaticContact CE2-ND1 3.27Å; W92-H96 VanDerWaalsContact CE2-ND1 3.27Å; W92-H96 AromaticContact CE3-CE1 3.4Å; W92-H96 VanDerWaalsContact CE3-CE1 3.4Å; W92-H96 AromaticContact CE3-ND1 3.93Å; W92-H96 AromaticContact CG-ND1 3.64Å; W92-H96 AromaticContact CH2-CE1 3.5Å; W92-H96 AromaticContact CH2-NE2 3.88Å; W92-H96 AromaticContact CZ2-CE1 3.43Å; W92-H96 VanDerWaalsContact CZ2-CE1 3.43Å; W92-H96 WeakPolarHBondContact CZ2-CE1 3.35Å; W92-H96 AromaticContact CZ2-ND1 3.75Å; W92-H96 AromaticContact CZ2-NE2 3.88Å; W92-H96 AromaticContact CZ3-CE1 3.49Å; W92-H96 VanDerWaalsContact CZ3-CE1 3.49Å; W92-H96 WeakPolarHBondContact CZ3-CE1 3.22Å; W92-H96 AromaticContact NE1-ND1 3.47Å; W92-H96 PolarHBondContact NE1-ND1 2.88Å; W92-H96 PolarHBondContact O-N 2.84Å; W92-H96 VanDerWaalsContact O-N 3.07Å; W92-H96 PolarHBondContact O-ND1 3.21Å; W92-L101 HydrophobicContact CG-CD2 4.34Å; W92-E157 HydrophobicContact CH2-CG 4.12Å; W92-E157 HydrophobicContact CZ2-CB 4.28Å; W92-E157 HydrophobicContact CZ2-CG 3.79Å; W92-Y158 HydrophobicContact CB-CD2 3.7Å; W92-Y158 HydrophobicContact CB-CE2 3.72Å; W92-Y158 AromaticContact CD1-CD2 3.91Å; W92-Y158 AromaticContact CD2-CD2 3.52Å; W92-Y158 HydrophobicContact CD2-CD2 3.52Å; W92-Y158 HydrophobicContact CD2-CE2 4.29Å; W92-Y158 HydrophobicContact CD2-CG 4.46Å; W92-Y158 AromaticContact CE3-CD2 3.86Å; W92-Y158 HydrophobicContact CE3-CD2 3.86Å; W92-Y158 HydrophobicContact CE3-CE2 4.43Å; W92-Y158 AromaticContact CG-CD2 3.43Å; W92-Y158 HydrophobicContact CG-CD2 3.43Å; W92-Y158 VanDerWaalsContact CG-CD2 3.43Å; W92-Y158 AromaticContact CG-CE2 3.99Å; W92-Y158 HydrophobicContact CG-CE2 3.99Å; W92-Y158 HydrophobicContact CG-CG 4.49Å; W92-S161 VanDerWaalsContact CZ3-CB 3.5Å; W92-S161 WeakPolarHBondContact CZ3-OG 3.28Å |
| 93 | K | 98.2 | Very high | 97.1 | Very high | 50 Ų | 50 | 59.2 Ų | 59.2 | 22% | 0.217 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.1 | -49.9 | 175.4 | -82.4 | -174.9 | -58.8 | 179.2 | 0 | 111.4 | I89 N90 H96 A97 L98 L101 | I89-K93 WeakPolarHBondContact O-CG 3.49Å; I89-K93 PolarHBondContact O-N 2.61Å; I89-K93 VanDerWaalsContact O-N 3.08Å; N90-K93 PolarHBondContact O-N 2.93Å; N90-K93 WeakPolarHBondContact OD1-CE 3.35Å; N90-K93 PolarHBondContact OD1-NZ 3.26Å; K93-H96 CarbonylContact O-C 3.6Å; K93-H96 PolarHBondContact O-N 2.9Å; K93-A97 CarbonylContact O-C 3.2Å; K93-A97 PolarHBondContact O-N 3.12Å; K93-L98 HydrophobicContact CB-CB 4.49Å; K93-L98 VanDerWaalsContact CB-O 3.32Å; K93-L98 WeakPolarHBondContact CB-O 3.36Å; K93-L98 HydrophobicContact CG-CB 4.28Å; K93-L98 PolarHBondContact O-N 3.46Å; K93-L101 HydrophobicContact CD-CB 4.15Å; K93-L101 HydrophobicContact CG-CB 3.83Å |
| 94 | V | 98.2 | Very high | 97.1 | Very high | 123 Ų | 123 | 59.3 Ų | 59.3 | 75% | 0.745 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -59.9 | -48.9 | 176.9 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | N90 W92 H96 A97 | N90-V94 WeakPolarHBondContact O-CG2 3.49Å; N90-V94 PolarHBondContact O-N 2.95Å; W92-V94 PolarHBondContact O-N 2.86Å; V94-H96 VanDerWaalsContact C-N 3.26Å; V94-H96 PolarHBondContact O-N 3.14Å; V94-A97 PolarHBondContact O-N 2.8Å |
| 95 | K | 97.9 | Very high | 97 | Very high | 161 Ų | 161 | 62.5 Ų | 62.5 | 70% | 0.7 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -58.3 | -34.3 | -179 | 178.8 | 178.5 | 170.2 | -171.8 | 0 | 113.6 | S91 W92 | S91-K95 WeakPolarHBondContact O-CB 3.15Å; S91-K95 PolarHBondContact O-N 2.67Å; W92-K95 PolarHBondContact O-N 2.89Å |
| 96 | H | 97.4 | Very high | 97 | Very high | 61 Ų | 61 | 62.9 Ų | 62.9 | 28% | 0.282 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 18.4 | -176.4 | -53.1 | 92.1 | 0 | 0 | 0 | 113 | W92 K93 V94 L98 | W92-H96 AromaticContact CD1-ND1 3.7Å; W92-H96 AromaticContact CD2-CE1 3.31Å; W92-H96 AromaticContact CD2-ND1 3.35Å; W92-H96 VanDerWaalsContact CD2-ND1 3.35Å; W92-H96 AromaticContact CE2-CE1 3.33Å; W92-H96 AromaticContact CE2-ND1 3.27Å; W92-H96 VanDerWaalsContact CE2-ND1 3.27Å; W92-H96 AromaticContact CE3-CE1 3.4Å; W92-H96 VanDerWaalsContact CE3-CE1 3.4Å; W92-H96 AromaticContact CE3-ND1 3.93Å; W92-H96 AromaticContact CG-ND1 3.64Å; W92-H96 AromaticContact CH2-CE1 3.5Å; W92-H96 AromaticContact CH2-NE2 3.88Å; W92-H96 AromaticContact CZ2-CE1 3.43Å; W92-H96 VanDerWaalsContact CZ2-CE1 3.43Å; W92-H96 WeakPolarHBondContact CZ2-CE1 3.35Å; W92-H96 AromaticContact CZ2-ND1 3.75Å; W92-H96 AromaticContact CZ2-NE2 3.88Å; W92-H96 AromaticContact CZ3-CE1 3.49Å; W92-H96 VanDerWaalsContact CZ3-CE1 3.49Å; W92-H96 WeakPolarHBondContact CZ3-CE1 3.22Å; W92-H96 AromaticContact NE1-ND1 3.47Å; W92-H96 PolarHBondContact NE1-ND1 2.88Å; W92-H96 PolarHBondContact O-N 2.84Å; W92-H96 VanDerWaalsContact O-N 3.07Å; W92-H96 PolarHBondContact O-ND1 3.21Å; K93-H96 CarbonylContact O-C 3.6Å; K93-H96 PolarHBondContact O-N 2.9Å; V94-H96 VanDerWaalsContact C-N 3.26Å; V94-H96 PolarHBondContact O-N 3.14Å; H96-L98 HydrophobicContact CB-CD1 4.21Å; H96-L98 HydrophobicContact CB-CG 3.99Å; H96-L98 WeakPolarHBondContact O-CG 3.48Å; H96-L98 PolarHBondContact O-N 3.27Å; H96-L98 VanDerWaalsContact O-N 3.11Å |
| 97 | A | 97.3 | Very high | 97 | Very high | 95 Ų | 95 | 59.2 Ų | 59.2 | 79% | 0.785 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 26.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | K93 V94 | K93-A97 CarbonylContact O-C 3.2Å; K93-A97 PolarHBondContact O-N 3.12Å; V94-A97 PolarHBondContact O-N 2.8Å |
| 98 | L | 96.5 | Very high | 97 | Very high | 40 Ų | 40 | 53.3 Ų | 53.3 | 21% | 0.209 | 28% | 0.275 | C | S | . | . | trans | -86.9 | 124.8 | -176.7 | -53.6 | 175.5 | 0 | 0 | 0 | 111.2 | K93 H96 Y100 L101 N154 | K93-L98 HydrophobicContact CB-CB 4.49Å; K93-L98 VanDerWaalsContact CB-O 3.32Å; K93-L98 WeakPolarHBondContact CB-O 3.36Å; K93-L98 HydrophobicContact CG-CB 4.28Å; K93-L98 PolarHBondContact O-N 3.46Å; H96-L98 HydrophobicContact CB-CD1 4.21Å; H96-L98 HydrophobicContact CB-CG 3.99Å; H96-L98 WeakPolarHBondContact O-CG 3.48Å; H96-L98 PolarHBondContact O-N 3.27Å; H96-L98 VanDerWaalsContact O-N 3.11Å; L98-Y100 VanDerWaalsContact C-N 3.26Å; L98-Y100 WeakPolarHBondContact CB-O 3.33Å; L98-Y100 PolarHBondContact O-N 3.14Å; L98-L101 HydrophobicContact CD1-CD1 4.17Å; L98-N154 HydrophobicContact CD1-CB 4.28Å | ||
| 99 | K | 94 | Very high | 97 | Very high | 210 Ų | 210 | 52.4 Ų | 52.4 | 91% | 0.913 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -63.6 | -36.1 | 166.7 | -62.8 | 179.9 | -178.7 | 177.9 | 0 | 111.5 | ||
| 100 | Y | 94.2 | Very high | 96.9 | Very high | 22 Ų | 22 | 52 Ų | 52 | 9% | 0.086 | 27% | 0.268 | C | S | . | . | trans | -126.3 | 150.1 | -168.6 | 177 | -91.2 | 0 | 0 | 0 | 111.5 | L98 G102 N151 E182 V183 Y184 | L98-Y100 VanDerWaalsContact C-N 3.26Å; L98-Y100 WeakPolarHBondContact CB-O 3.33Å; L98-Y100 PolarHBondContact O-N 3.14Å; Y100-G102 VanDerWaalsContact CE1-N 3.27Å; Y100-G102 WeakPolarHBondContact OH-CA 3.38Å; Y100-N151 HydrophobicContact CE1-CB 4.29Å; Y100-E182 HydrophobicContact CD2-CB 4Å; Y100-E182 HydrophobicContact CD2-CG 3.84Å; Y100-E182 WeakPolarHBondContact CD2-OE1 3.24Å; Y100-E182 HydrophobicContact CE2-CB 3.6Å; Y100-E182 HydrophobicContact CE2-CG 4Å; Y100-E182 HydrophobicContact CG-CG 4.24Å; Y100-E182 VanDerWaalsContact CZ-C 3.47Å; Y100-E182 PolarHBondContact OH-O 3.2Å; Y100-V183 PolarHBondContact OH-N 3.02Å; Y100-V183 PolarHBondContact OH-O 3.43Å; Y100-Y184 HydrophobicContact CE2-CD2 4.24Å; Y100-Y184 HydrophobicContact CE2-CE1 4.18Å; Y100-Y184 AromaticContact CE2-CE2 3.54Å; Y100-Y184 HydrophobicContact CE2-CE2 3.54Å; Y100-Y184 AromaticContact CE2-CZ 3.5Å; Y100-Y184 AromaticContact CZ-CE2 3.79Å; Y100-Y184 AromaticContact CZ-CZ 3.9Å; Y100-Y184 WeakPolarHBondContact OH-CD2 3.4Å; Y100-Y184 WeakPolarHBondContact OH-CE2 3.46Å; Y100-Y184 VanDerWaalsContact OH-CG 3.27Å; Y100-Y184 PolarHBondContact OH-N 2.96Å | ||
| 101 | L | 97.6 | Very high | 96.7 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | trans | -147.1 | 125 | 166.8 | -175.3 | 67.5 | 0 | 0 | 0 | 109.9 | I89 W92 K93 L98 I103 N154 Y158 Y184 | I89-L101 HydrophobicContact CG2-CD2 4.24Å; W92-L101 HydrophobicContact CG-CD2 4.34Å; K93-L101 HydrophobicContact CD-CB 4.15Å; K93-L101 HydrophobicContact CG-CB 3.83Å; L98-L101 HydrophobicContact CD1-CD1 4.17Å; L101-I103 HydrophobicContact CD2-CB 4.36Å; L101-I103 HydrophobicContact CD2-CG1 4.21Å; L101-I103 HydrophobicContact CG-CB 4.32Å; L101-I103 HydrophobicContact CG-CG1 4.06Å; L101-I103 PolarHBondContact O-N 3.45Å; L101-N154 HydrophobicContact CD1-CB 4.16Å; L101-N154 WeakPolarHBondContact CD1-O 3.5Å; L101-Y158 HydrophobicContact CD2-CD2 3.84Å; L101-Y158 HydrophobicContact CD2-CE2 4.31Å; L101-Y158 HydrophobicContact CD2-CG 3.93Å; L101-Y184 WeakPolarHBondContact O-CE1 3.37Å | ||
| 102 | G | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -74.3 | 41.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y100 V183 Y184 L185 | Y100-G102 VanDerWaalsContact CE1-N 3.27Å; Y100-G102 WeakPolarHBondContact OH-CA 3.38Å; G102-V183 WeakPolarHBondContact CA-O 3.27Å; G102-Y184 WeakPolarHBondContact O-CA 3.29Å; G102-L185 PolarHBondContact O-N 3.5Å |
| 103 | I | 97.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | trans | -122.5 | 111.7 | 179 | -62 | -67.5 | 0 | 0 | 0 | 108 | C84 I89 L101 A155 Y158 M159 L185 | C84-I103 HydrophobicContact CB-CG2 4.47Å; I89-I103 HydrophobicContact CD1-CG2 4.02Å; I89-I103 HydrophobicContact CG1-CG2 4.23Å; L101-I103 HydrophobicContact CD2-CB 4.36Å; L101-I103 HydrophobicContact CD2-CG1 4.21Å; L101-I103 HydrophobicContact CG-CB 4.32Å; L101-I103 HydrophobicContact CG-CG1 4.06Å; L101-I103 PolarHBondContact O-N 3.45Å; I103-A155 HydrophobicContact CD1-CB 3.85Å; I103-A155 HydrophobicContact CG1-CB 4.01Å; I103-Y158 HydrophobicContact CB-CD1 4.41Å; I103-Y158 HydrophobicContact CD1-CD1 4.2Å; I103-Y158 HydrophobicContact CG1-CD1 3.73Å; I103-Y158 HydrophobicContact CG1-CE1 4.37Å; I103-Y158 HydrophobicContact CG1-CG 4.29Å; I103-Y158 HydrophobicContact CG2-CD1 4.2Å; I103-Y158 HydrophobicContact CG2-CE1 4.01Å; I103-M159 HydrophobicContact CD1-CG 3.66Å; I103-M159 HydrophobicContact CD1-SD 3.93Å; I103-L185 HydrophobicContact CD1-CD1 4.38Å | ||
| 104 | P | 96.2 | Very high | 95.7 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.013 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 139.4 | 174.6 | -15.4 | 27.5 | 0 | 0 | 0 | 110.3 | Y80 C84 F127 Y184 L185 | Y80-P104 HydrophobicContact CE1-CB 4.08Å; Y80-P104 WeakPolarHBondContact CE1-O 3.39Å; C84-P104 WeakPolarHBondContact CB-O 3.35Å; P104-F127 HydrophobicContact CB-CE2 4.37Å; P104-F127 HydrophobicContact CB-CZ 4.11Å; P104-F127 HydrophobicContact CG-CE2 4.34Å; P104-F127 HydrophobicContact CG-CZ 4.09Å; P104-Y184 HydrophobicContact CG-CD1 4.34Å; P104-L185 WeakPolarHBondContact CD-O 3.4Å; P104-L185 VanDerWaalsContact CG-O 3.31Å; P104-L185 WeakPolarHBondContact CG-O 3.49Å |
| 105 | R | 96.1 | Very high | 95.1 | Very high | 67 Ų | 67 | 53.7 Ų | 53.7 | 25% | 0.253 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -74 | 151.6 | 174.4 | 55.7 | 168.3 | -171.9 | 157.2 | 7 | 111.3 | C84 E86 I89 I107 D125 | C84-R105 WeakPolarHBondContact O-CA 3.14Å; E86-R105 IonicContact OE1-NH1 3.67Å; E86-R105 WeakPolarHBondContact OE2-CD 3.45Å; E86-R105 IonicContact OE2-CZ 3.7Å; E86-R105 IonicContact OE2-NE 3.65Å; E86-R105 IonicContact OE2-NH1 2.88Å; E86-R105 PolarHBondContact OE2-NH1 2.96Å; I89-R105 HydrophobicContact CD1-CB 3.91Å; R105-I107 HydrophobicContact CG-CD1 3.89Å; R105-I107 VanDerWaalsContact CZ-CD1 3.47Å; R105-I107 VanDerWaalsContact NE-CD1 3.29Å; R105-I107 PolarHBondContact O-N 3.08Å; R105-D125 WeakPolarHBondContact CG-OD2 3.35Å; R105-D125 IonicContact CZ-OD1 2.82Å; R105-D125 IonicContact CZ-OD2 3.72Å; R105-D125 IonicContact NE-OD1 2.97Å; R105-D125 PolarHBondContact NE-OD1 2.91Å; R105-D125 IonicContact NE-OD2 3.99Å; R105-D125 PolarHBondContact NE-OD2 2.62Å; R105-D125 IonicContact NH2-OD1 3.02Å; R105-D125 PolarHBondContact NH2-OD1 3.49Å; R105-D125 IonicContact NH2-OD2 3.93Å |
| 106 | Y | 96.9 | Very high | 94.5 | Very high | 60 Ų | 60 | 56.7 Ų | 56.7 | 24% | 0.235 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 116.5 | 172.1 | 171.6 | -116.1 | 0 | 0 | 0 | 110.7 | M81 C84 S109 L122 | M81-Y106 HydrophobicContact CG-CD2 4.38Å; M81-Y106 HydrophobicContact CG-CE1 4.1Å; M81-Y106 HydrophobicContact CG-CE2 3.86Å; C84-Y106 PolarHBondContact O-N 2.89Å; Y106-S109 PolarHBondContact OH-N 2.99Å; Y106-S109 VanDerWaalsContact OH-N 3.14Å; Y106-S109 PolarHBondContact OH-OG 3.08Å; Y106-L122 HydrophobicContact CD2-CD1 4.18Å; Y106-L122 HydrophobicContact CE2-CD1 4.11Å |
| 107 | I | 96.4 | Very high | 94 | Very high | 15 Ų | 15 | 55.7 Ų | 55.7 | 8% | 0.077 | 29% | 0.29 | C | S | . | . | trans | -87.1 | -60.8 | 175.1 | -50.5 | -55.9 | 0 | 0 | 0 | 110.4 | R32 W34 Y61 R105 V123 D125 | R32-I107 PolarHBondContact NH2-O 2.96Å; W34-I107 HydrophobicContact CH2-CG2 3.62Å; W34-I107 HydrophobicContact CZ2-CG2 4Å; Y61-I107 HydrophobicContact CD1-CG1 4.1Å; Y61-I107 HydrophobicContact CD1-CG2 4.04Å; Y61-I107 HydrophobicContact CE1-CD1 4.04Å; Y61-I107 HydrophobicContact CE1-CG1 4.1Å; Y61-I107 HydrophobicContact CE1-CG2 3.87Å; R105-I107 HydrophobicContact CG-CD1 3.89Å; R105-I107 VanDerWaalsContact CZ-CD1 3.47Å; R105-I107 VanDerWaalsContact NE-CD1 3.29Å; R105-I107 PolarHBondContact O-N 3.08Å; I107-V123 HydrophobicContact CB-CB 4.1Å; I107-V123 HydrophobicContact CB-CG1 4.06Å; I107-V123 WeakPolarHBondContact CB-O 3.48Å; I107-V123 HydrophobicContact CG2-CB 4.16Å; I107-V123 HydrophobicContact CG2-CG1 3.76Å; I107-D125 WeakPolarHBondContact CD1-OD1 3.28Å | ||
| 108 | S | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.4 | 168.1 | 180 | -145 | 0 | 0 | 0 | 0 | 112.9 | D28 R32 V123 | D28-S108 WeakPolarHBondContact CB-OG 3.3Å; D28-S108 VanDerWaalsContact OD2-CB 3.25Å; D28-S108 WeakPolarHBondContact OD2-CB 3.38Å; D28-S108 PolarHBondContact OD2-OG 3.35Å; R32-S108 PolarHBondContact NH2-OG 3.44Å; S108-V123 PolarHBondContact O-N 3.42Å |
| 109 | S | 96.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 170 | 167.9 | 69.6 | 0 | 0 | 0 | 0 | 111.6 | S29 M77 Y106 F121 | S29-S109 WeakPolarHBondContact CB-O 3.34Å; S29-S109 PolarHBondContact N-O 2.89Å; S29-S109 VanDerWaalsContact N-O 3.11Å; S29-S109 PolarHBondContact OG-O 3.5Å; M77-S109 VanDerWaalsContact SD-CB 3.58Å; M77-S109 PolarHBondContact SD-OG 2.81Å; M77-S109 VanDerWaalsContact SD-OG 3.39Å; Y106-S109 PolarHBondContact OH-N 2.99Å; Y106-S109 VanDerWaalsContact OH-N 3.14Å; Y106-S109 PolarHBondContact OH-OG 3.08Å; S109-F121 VanDerWaalsContact CA-O 3.3Å; S109-F121 WeakPolarHBondContact CA-O 3.48Å; S109-F121 WeakPolarHBondContact CB-O 3.48Å |
| 110 | G | 95.4 | Very high | 93.7 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.4 | -168.2 | 172 | 0 | 0 | 0 | 0 | 0 | 113.6 | S29 F121 | S29-G110 WeakPolarHBondContact OG-CA 3.39Å; G110-F121 PolarHBondContact N-O 3.44Å; G110-F121 PolarHBondContact O-N 3.3Å |
| 111 | S | 94.2 | Very high | 93.8 | Very high | 57 Ų | 57 | 40.3 Ų | 40.3 | 40% | 0.399 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 142.1 | 167.7 | -67.2 | 0 | 0 | 0 | 0 | 109.4 | Q68 L119 | Q68-S111 PolarHBondContact NE2-OG 3.34Å; S111-L119 CarbonylContact C-O 3.59Å; S111-L119 WeakPolarHBondContact CA-O 3.18Å; S111-L119 WeakPolarHBondContact CB-O 3.36Å |
| 112 | I | 93.2 | Very high | 93.8 | Very high | 33 Ų | 33 | 40.1 Ų | 40.1 | 17% | 0.169 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 139.4 | -176.7 | -172.3 | 170.1 | 0 | 0 | 0 | 109.5 | I26 L114 L119 F121 | I26-I112 HydrophobicContact CB-CD1 4.43Å; I26-I112 HydrophobicContact CG1-CD1 4.11Å; I26-I112 HydrophobicContact CG2-CD1 4.28Å; I112-L114 HydrophobicContact CG1-CB 4.48Å; I112-L119 HydrophobicContact CG2-CB 4.03Å; I112-L119 PolarHBondContact N-O 2.96Å; I112-L119 PolarHBondContact O-N 2.87Å; I112-F121 HydrophobicContact CB-CE1 4.38Å; I112-F121 HydrophobicContact CG2-CD1 4.11Å; I112-F121 HydrophobicContact CG2-CE1 4.45Å |
| 113 | N | 92.7 | Very high | 93.8 | Very high | 136 Ų | 136 | 40.1 Ų | 40.1 | 73% | 0.727 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 109.7 | 167.9 | -67.9 | -35.3 | 0 | 0 | 0 | 107.6 | A117 | N113-A117 CarbonylContact C-O 3.56Å; N113-A117 WeakPolarHBondContact CA-O 3.42Å |
| 114 | L | 88 | Confident | 93.6 | Very high | 35 Ų | 35 | 41 Ų | 41 | 18% | 0.183 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 136.2 | -177.3 | -173.2 | 68 | 0 | 0 | 0 | 109.4 | I20 T24 I112 K116 A117 L119 | I20-L114 HydrophobicContact CB-CD2 4.45Å; I20-L114 HydrophobicContact CD1-CD2 3.49Å; I20-L114 VanDerWaalsContact CD1-CD2 3.49Å; I20-L114 HydrophobicContact CG1-CD2 3.66Å; I20-L114 HydrophobicContact CG2-CD2 4.08Å; T24-L114 HydrophobicContact CG2-CD1 4.49Å; T24-L114 HydrophobicContact CG2-CD2 4.28Å; I112-L114 HydrophobicContact CG1-CB 4.48Å; L114-K116 PolarHBondContact O-N 3.2Å; L114-K116 VanDerWaalsContact O-N 3.12Å; L114-A117 PolarHBondContact N-O 2.99Å; L114-A117 PolarHBondContact O-N 3.42Å; L114-A117 VanDerWaalsContact O-O 3.09Å; L114-L119 HydrophobicContact CB-CD1 4.27Å |
| 115 | N | 84.8 | Confident | 93.6 | Very high | 118 Ų | 118 | 42 Ų | 42 | 63% | 0.631 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 37 | -179.1 | -59.8 | -15.2 | 0 | 0 | 0 | 113.5 | A117 | N115-A117 PolarHBondContact O-N 3.39Š|
| 116 | K | 84.3 | Confident | 93.5 | Very high | 224 Ų | 224 | 43.5 Ų | 43.5 | 97% | 0.974 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 2.6 | -174 | -53.7 | 176.3 | -178 | 175.1 | 0 | 115.7 | L114 | L114-K116 PolarHBondContact O-N 3.2Å; L114-K116 VanDerWaalsContact O-N 3.12Å |
| 117 | A | 87.6 | Confident | 93.4 | Very high | 40 Ų | 40 | 41.9 Ų | 41.9 | 33% | 0.331 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 141.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111 | N113 L114 N115 L119 | N113-A117 CarbonylContact C-O 3.56Å; N113-A117 WeakPolarHBondContact CA-O 3.42Å; L114-A117 PolarHBondContact N-O 2.99Å; L114-A117 PolarHBondContact O-N 3.42Å; L114-A117 VanDerWaalsContact O-O 3.09Å; N115-A117 PolarHBondContact O-N 3.39Å; A117-L119 HydrophobicContact CB-CD2 4.15Å |
| 118 | A | 92.6 | Very high | 93.2 | Very high | 32 Ų | 32 | 44.2 Ų | 44.2 | 26% | 0.264 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 122.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | Q68 | Q68-A118 HydrophobicContact CB-CB 4Å; Q68-A118 WeakPolarHBondContact CB-O 3.12Å; Q68-A118 PolarHBondContact N-O 3.49Å |
| 119 | L | 94.1 | Very high | 93 | Very high | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 143.9 | -179.7 | -55.1 | 178 | 0 | 0 | 0 | 109.8 | A17 I20 I65 E66 P67 S111 I112 L114 A117 | A17-L119 HydrophobicContact CB-CD2 4.31Å; I20-L119 HydrophobicContact CD1-CD1 4.17Å; I65-L119 HydrophobicContact CD1-CD1 4.32Å; E66-L119 WeakPolarHBondContact O-CA 3.29Å; P67-L119 HydrophobicContact CG-CD2 4.43Å; S111-L119 CarbonylContact C-O 3.59Å; S111-L119 WeakPolarHBondContact CA-O 3.18Å; S111-L119 WeakPolarHBondContact CB-O 3.36Å; I112-L119 HydrophobicContact CG2-CB 4.03Å; I112-L119 PolarHBondContact N-O 2.96Å; I112-L119 PolarHBondContact O-N 2.87Å; L114-L119 HydrophobicContact CB-CD1 4.27Å; A117-L119 HydrophobicContact CB-CD2 4.15Å |
| 120 | R | 95.1 | Very high | 92.9 | Very high | 6 Ų | 6 | 44.4 Ų | 44.4 | 2% | 0.023 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 146.3 | 160.5 | -177.1 | 176.4 | -71 | 100.8 | -2.8 | 108.1 | I65 E66 Q68 L73 M77 E606 | I65-R120 WeakPolarHBondContact CA-O 3.37Å; E66-R120 PolarHBondContact N-O 2.88Å; E66-R120 PolarHBondContact O-N 3.49Å; E66-R120 VanDerWaalsContact O-O 3.07Å; Q68-R120 HydrophobicContact CG-CB 4.3Å; Q68-R120 PolarHBondContact O-NH1 3.32Å; L73-R120 HydrophobicContact CD2-CB 4.24Å; L73-R120 HydrophobicContact CD2-CG 4.16Å; L73-R120 WeakPolarHBondContact CD2-O 3.41Å; L73-R120 HydrophobicContact CG-CG 4.32Å; M77-R120 HydrophobicContact SD-CG 4.11Å; R120-E606 IonicContact NH2-OE2 3.19Å; R120-E606 PolarHBondContact NH2-OE2 3.27Å |
| 121 | F | 96.2 | Very high | 93 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 154.1 | 174.1 | 72.3 | -90.5 | 0 | 0 | 0 | 112.7 | I26 Q27 D28 I63 K64 I65 S109 G110 I112 V123 | I26-F121 HydrophobicContact CG2-CD1 3.89Å; I26-F121 HydrophobicContact CG2-CD2 4.09Å; I26-F121 HydrophobicContact CG2-CE1 3.41Å; I26-F121 VanDerWaalsContact CG2-CE1 3.41Å; I26-F121 HydrophobicContact CG2-CE2 3.64Å; I26-F121 HydrophobicContact CG2-CG 4.19Å; I26-F121 HydrophobicContact CG2-CZ 3.25Å; Q27-F121 WeakPolarHBondContact O-CZ 3.41Å; D28-F121 HydrophobicContact CB-CE2 4.18Å; D28-F121 HydrophobicContact CB-CZ 4.05Å; I63-F121 HydrophobicContact CG2-CB 4.03Å; I63-F121 HydrophobicContact CG2-CD2 4.26Å; I63-F121 HydrophobicContact CG2-CG 4.48Å; K64-F121 CarbonylContact O-C 3.58Å; K64-F121 WeakPolarHBondContact O-CA 3.35Å; I65-F121 HydrophobicContact CG2-CB 4.03Å; S109-F121 VanDerWaalsContact CA-O 3.3Å; S109-F121 WeakPolarHBondContact CA-O 3.48Å; S109-F121 WeakPolarHBondContact CB-O 3.48Å; G110-F121 PolarHBondContact N-O 3.44Å; G110-F121 PolarHBondContact O-N 3.3Å; I112-F121 HydrophobicContact CB-CE1 4.38Å; I112-F121 HydrophobicContact CG2-CD1 4.11Å; I112-F121 HydrophobicContact CG2-CE1 4.45Å; F121-V123 HydrophobicContact CD2-CG2 4.25Å; F121-V123 HydrophobicContact CE2-CG2 4.09Å |
| 122 | L | 96.6 | Very high | 93 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 128.8 | 177.2 | 179.4 | 72.6 | 0 | 0 | 0 | 108.8 | I63 K64 L73 E76 M77 Y80 Y106 M124 | I63-L122 WeakPolarHBondContact CA-O 3.35Å; K64-L122 PolarHBondContact N-O 2.9Å; K64-L122 PolarHBondContact O-N 3.11Å; L73-L122 HydrophobicContact CD1-CB 3.75Å; L73-L122 HydrophobicContact CD1-CD2 4.11Å; E76-L122 HydrophobicContact CG-CD2 3.91Å; M77-L122 HydrophobicContact CG-CD1 4.44Å; Y80-L122 HydrophobicContact CD2-CD1 4.25Å; Y80-L122 HydrophobicContact CD2-CD2 3.6Å; Y80-L122 HydrophobicContact CE2-CD2 3.59Å; Y106-L122 HydrophobicContact CD2-CD1 4.18Å; Y106-L122 HydrophobicContact CE2-CD1 4.11Å; L122-M124 HydrophobicContact CD2-CG 3.86Å; L122-M124 HydrophobicContact CD2-SD 3.66Å; L122-M124 HydrophobicContact CG-CG 3.88Å; L122-M124 HydrophobicContact CG-SD 4.32Å |
| 123 | V | 97.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 131.9 | 171.3 | -166.4 | 0 | 0 | 0 | 0 | 108.1 | W34 Y61 V62 I63 I107 S108 F121 | W34-V123 HydrophobicContact CD2-CG1 4.29Å; W34-V123 HydrophobicContact CD2-CG2 4.25Å; W34-V123 HydrophobicContact CE3-CG1 4.06Å; W34-V123 HydrophobicContact CH2-CG1 3.9Å; W34-V123 HydrophobicContact CZ2-CG1 4.1Å; W34-V123 HydrophobicContact CZ2-CG2 4.36Å; W34-V123 HydrophobicContact CZ3-CG1 3.88Å; Y61-V123 HydrophobicContact CD1-CG1 4.41Å; Y61-V123 HydrophobicContact CG-CG1 4.44Å; V62-V123 WeakPolarHBondContact O-CA 3.22Å; I63-V123 HydrophobicContact CG1-CG1 4.42Å; I63-V123 HydrophobicContact CG1-CG2 4.12Å; I107-V123 HydrophobicContact CB-CB 4.1Å; I107-V123 HydrophobicContact CB-CG1 4.06Å; I107-V123 WeakPolarHBondContact CB-O 3.48Å; I107-V123 HydrophobicContact CG2-CB 4.16Å; I107-V123 HydrophobicContact CG2-CG1 3.76Å; S108-V123 PolarHBondContact O-N 3.42Å; F121-V123 HydrophobicContact CD2-CG2 4.25Å; F121-V123 HydrophobicContact CE2-CG2 4.09Å |
| 124 | M | 95.2 | Very high | 93.2 | Very high | 22 Ų | 22 | 35.2 Ų | 35.2 | 11% | 0.108 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 160.8 | 177.8 | -55.7 | 178.4 | -65.7 | 0 | 0 | 109.7 | Y61 V62 K64 Y80 L122 | Y61-M124 CarbonylContact C-O 3.36Å; Y61-M124 WeakPolarHBondContact CA-O 3.44Å; Y61-M124 WeakPolarHBondContact CB-O 3.37Å; V62-M124 HydrophobicContact CG2-CB 3.84Å; V62-M124 HydrophobicContact CG2-CE 3.85Å; V62-M124 PolarHBondContact N-O 3.13Å; V62-M124 PolarHBondContact O-N 3.38Å; K64-M124 HydrophobicContact CB-CE 4.05Å; Y80-M124 HydrophobicContact CE2-SD 4.07Å; Y80-M124 PolarHBondContact OH-SD 2.97Å; L122-M124 HydrophobicContact CD2-CG 3.86Å; L122-M124 HydrophobicContact CD2-SD 3.66Å; L122-M124 HydrophobicContact CG-CG 3.88Å; L122-M124 HydrophobicContact CG-SD 4.32Å |
| 125 | D | 94.7 | Very high | 93.5 | Very high | 24 Ų | 24 | 33.7 Ų | 33.7 | 13% | 0.128 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 145.5 | 168.2 | -68.3 | -54.1 | 0 | 0 | 0 | 110.3 | R105 I107 F127 | R105-D125 WeakPolarHBondContact CG-OD2 3.35Å; R105-D125 IonicContact CZ-OD1 2.82Å; R105-D125 IonicContact CZ-OD2 3.72Å; R105-D125 IonicContact NE-OD1 2.97Å; R105-D125 PolarHBondContact NE-OD1 2.91Å; R105-D125 IonicContact NE-OD2 3.99Å; R105-D125 PolarHBondContact NE-OD2 2.62Å; R105-D125 IonicContact NH2-OD1 3.02Å; R105-D125 PolarHBondContact NH2-OD1 3.49Å; R105-D125 IonicContact NH2-OD2 3.93Å; I107-D125 WeakPolarHBondContact CD1-OD1 3.28Å; D125-F127 WeakPolarHBondContact O-CD2 3.48Å; D125-F127 WeakPolarHBondContact O-CE2 3.34Å |
| 126 | R | 94.4 | Very high | 93.9 | Very high | 97 Ų | 97 | 32 Ų | 32 | 37% | 0.366 | 16% | 0.164 | S | C | . | . | trans | -77.8 | 145.2 | 172.5 | -171.3 | 171.9 | 178.6 | 178.3 | -0.4 | 110.8 | F59 R60 V62 R177 | F59-R126 VanDerWaalsContact O-CD 3.22Å; F59-R126 WeakPolarHBondContact O-CD 3.38Å; F59-R126 PolarHBondContact O-NH1 3.43Å; F59-R126 VanDerWaalsContact O-NH1 3.11Å; R60-R126 WeakPolarHBondContact O-CB 3.19Å; R60-R126 PolarHBondContact O-N 3.05Å; V62-R126 HydrophobicContact CG1-CB 3.8Å; V62-R126 HydrophobicContact CG1-CG 3.78Å; R126-R177 PolarHBondContact O-NH1 3.18Å; R126-R177 PolarHBondContact O-NH2 2.93Å | ||
| 127 | F | 94.5 | Very high | 94.3 | Very high | 27 Ų | 27 | 25.6 Ų | 25.6 | 12% | 0.118 | 14% | 0.141 | C | C | . | . | trans | -116.5 | 163.8 | 176.3 | -68.5 | -79.9 | 0 | 0 | 0 | 110.2 | P104 D125 L175 H176 R177 Y184 | P104-F127 HydrophobicContact CB-CE2 4.37Å; P104-F127 HydrophobicContact CB-CZ 4.11Å; P104-F127 HydrophobicContact CG-CE2 4.34Å; P104-F127 HydrophobicContact CG-CZ 4.09Å; D125-F127 WeakPolarHBondContact O-CD2 3.48Å; D125-F127 WeakPolarHBondContact O-CE2 3.34Å; F127-L175 HydrophobicContact CB-CB 3.83Å; F127-L175 HydrophobicContact CB-CD1 4.26Å; F127-L175 HydrophobicContact CD1-CB 4.04Å; F127-L175 HydrophobicContact CD2-CB 4.05Å; F127-L175 HydrophobicContact CD2-CD1 3.55Å; F127-L175 HydrophobicContact CD2-CG 4.47Å; F127-L175 HydrophobicContact CE2-CD1 4.17Å; F127-L175 HydrophobicContact CG-CB 3.68Å; F127-L175 HydrophobicContact CG-CD1 4.02Å; F127-H176 WeakPolarHBondContact CB-O 3.44Å; F127-R177 HydrophobicContact CD1-CB 4.35Å; F127-Y184 AromaticContact CD1-CD2 3.98Å; F127-Y184 HydrophobicContact CD1-CD2 3.98Å; F127-Y184 HydrophobicContact CD1-CE2 4.4Å; F127-Y184 HydrophobicContact CD1-CG 4.46Å; F127-Y184 HydrophobicContact CE1-CD1 4.08Å; F127-Y184 AromaticContact CE1-CD2 3.31Å; F127-Y184 HydrophobicContact CE1-CD2 3.31Å; F127-Y184 HydrophobicContact CE1-CE1 4.4Å; F127-Y184 AromaticContact CE1-CE2 3.67Å; F127-Y184 HydrophobicContact CE1-CE2 3.67Å; F127-Y184 AromaticContact CE1-CG 3.53Å; F127-Y184 HydrophobicContact CE1-CG 3.53Å; F127-Y184 HydrophobicContact CZ-CD1 4.19Å; F127-Y184 HydrophobicContact CZ-CD2 4.17Å; F127-Y184 AromaticContact CZ-CG 3.92Å; F127-Y184 HydrophobicContact CZ-CG 3.92Å | ||
| 128 | S | 92.3 | Very high | 94.5 | Very high | 64 Ų | 64 | 27.3 Ų | 27.3 | 45% | 0.448 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -86.8 | -34.9 | -175.9 | 55.8 | 0 | 0 | 0 | 0 | 113.1 | H176 F518 | S128-H176 PolarHBondContact N-O 3.13Å; S128-H176 PolarHBondContact OG-CD2 3.14Å; S128-H176 PolarHBondContact OG-NE2 2.91Å; S128-H176 PolarHBondContact OG-O 3.3Å; S128-H176 VanDerWaalsContact OG-O 3.08Å; S128-F518 VanDerWaalsContact O-CE1 3.3Å; S128-F518 WeakPolarHBondContact O-CE1 3.21Å |
| 129 | G | 93.1 | Very high | 94.5 | Very high | 7 Ų | 7 | 30.4 Ų | 30.4 | 7% | 0.072 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.4 | -172.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L175 H176 | G129-L175 WeakPolarHBondContact O-CA 3.4Å; G129-H176 PolarHBondContact O-N 3.22Å |
| 130 | D | 95.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 156.4 | 179.8 | 77.5 | 97.1 | 0 | 0 | 0 | 112.2 | E132 T133 T134 L174 L175 H176 L514 | D130-E132 VanDerWaalsContact C-N 3.27Å; D130-E132 PolarHBondContact O-N 3.03Å; D130-E132 WeakPolarHBondContact OD1-CA 3.44Å; D130-E132 VanDerWaalsContact OD1-CB 3.25Å; D130-E132 WeakPolarHBondContact OD1-CB 3.43Å; D130-E132 PolarHBondContact OD1-N 3.39Å; D130-T133 PolarHBondContact O-N 3.44Å; D130-T133 PolarHBondContact OD1-N 3.46Å; D130-T133 VanDerWaalsContact OD1-N 3.13Å; D130-T133 VanDerWaalsContact OD2-CB 3.31Å; D130-T133 WeakPolarHBondContact OD2-CB 3.29Å; D130-T133 PolarHBondContact OD2-OG1 3.28Å; D130-T134 PolarHBondContact O-N 2.91Å; D130-T134 VanDerWaalsContact O-N 3.11Å; D130-L174 CarbonylContact C-O 3.6Å; D130-L174 VanDerWaalsContact CA-O 3.29Å; D130-L174 WeakPolarHBondContact CA-O 3.49Å; D130-L175 HydrophobicContact CB-CD2 3.82Å; D130-H176 PolarHBondContact N-CE1 3.45Å; D130-L514 HydrophobicContact CB-CD2 4.28Å |
| 131 | L | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.4 | -24.1 | -175.6 | -178 | 63.2 | 0 | 0 | 0 | 113.3 | T134 L135 I140 I145 A171 L174 W244 | L131-T134 HydrophobicContact CD1-CG2 4.16Å; L131-L135 HydrophobicContact CD1-CG 4.47Å; L131-L135 HydrophobicContact CG-CD1 4.28Å; L131-L135 HydrophobicContact CG-CG 4.45Å; L131-L135 VanDerWaalsContact O-CB 3.3Å; L131-L135 WeakPolarHBondContact O-CB 3.43Å; L131-L135 VanDerWaalsContact O-CG 3.28Å; L131-L135 WeakPolarHBondContact O-CG 3.48Å; L131-L135 PolarHBondContact O-N 2.97Å; L131-I140 HydrophobicContact CD1-CD1 3.87Å; L131-I140 HydrophobicContact CD1-CG2 4.2Å; L131-I145 HydrophobicContact CD1-CD1 4.26Å; L131-A171 HydrophobicContact CB-CB 3.93Å; L131-A171 HydrophobicContact CD2-CB 4.14Å; L131-A171 HydrophobicContact CG-CB 3.91Å; L131-A171 PolarHBondContact N-O 3.04Å; L131-L174 HydrophobicContact CB-CB 3.97Å; L131-L174 HydrophobicContact CD2-CB 4.38Å; L131-L174 HydrophobicContact CD2-CD1 3.8Å; L131-L174 PolarHBondContact N-O 3.24Å; L131-W244 HydrophobicContact CD2-CD2 4.2Å; L131-W244 HydrophobicContact CD2-CE3 4.12Å; L131-W244 HydrophobicContact CD2-CH2 4.3Å; L131-W244 HydrophobicContact CD2-CZ2 4.31Å; L131-W244 HydrophobicContact CD2-CZ3 4.18Å |
| 132 | E | 95.5 | Very high | 94.2 | Very high | 8 Ų | 8 | 33.5 Ų | 33.5 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -75.9 | -33.7 | 178.3 | 173.9 | 78.8 | -150.5 | 0 | 0 | 110.6 | D130 K136 A171 R247 I515 | D130-E132 VanDerWaalsContact C-N 3.27Å; D130-E132 PolarHBondContact O-N 3.03Å; D130-E132 WeakPolarHBondContact OD1-CA 3.44Å; D130-E132 VanDerWaalsContact OD1-CB 3.25Å; D130-E132 WeakPolarHBondContact OD1-CB 3.43Å; D130-E132 PolarHBondContact OD1-N 3.39Å; E132-K136 WeakPolarHBondContact O-CG 3.11Å; E132-K136 PolarHBondContact O-N 3.39Å; E132-K136 VanDerWaalsContact O-N 3.17Å; E132-A171 HydrophobicContact CB-CB 3.73Å; E132-A171 PolarHBondContact N-O 3.39Å; E132-R247 IonicContact OE1-CZ 3.31Å; E132-R247 VanDerWaalsContact OE1-CZ 3.31Å; E132-R247 IonicContact OE1-NH1 2.97Å; E132-R247 PolarHBondContact OE1-NH1 2.95Å; E132-R247 IonicContact OE1-NH2 2.79Å; E132-R247 PolarHBondContact OE1-NH2 3.47Å; E132-R247 IonicContact OE2-CZ 3.8Å; E132-R247 IonicContact OE2-NH1 3.21Å; E132-R247 PolarHBondContact OE2-NH1 2.84Å; E132-R247 IonicContact OE2-NH2 2.73Å; E132-I515 HydrophobicContact CB-CD1 3.99Å; E132-I515 HydrophobicContact CG-CD1 3.23Å |
| 133 | T | 94.2 | Very high | 94.1 | Very high | 27 Ų | 27 | 35.3 Ų | 35.3 | 17% | 0.166 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.3 | -50.3 | 168.4 | -61 | 0 | 0 | 0 | 0 | 111 | D130 L135 K136 N137 | D130-T133 PolarHBondContact O-N 3.44Å; D130-T133 PolarHBondContact OD1-N 3.46Å; D130-T133 VanDerWaalsContact OD1-N 3.13Å; D130-T133 VanDerWaalsContact OD2-CB 3.31Å; D130-T133 WeakPolarHBondContact OD2-CB 3.29Å; D130-T133 PolarHBondContact OD2-OG1 3.28Å; T133-L135 VanDerWaalsContact C-N 3.32Å; T133-L135 PolarHBondContact O-N 3.38Å; T133-K136 WeakPolarHBondContact O-CB 3.34Å; T133-K136 PolarHBondContact O-N 2.97Å; T133-K136 VanDerWaalsContact O-N 3.08Å; T133-N137 PolarHBondContact O-N 3.33Å; T133-N137 PolarHBondContact O-OD1 2.9Å |
| 134 | T | 94.5 | Very high | 94 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.4 | -40.5 | 175.6 | -74.2 | 0 | 0 | 0 | 0 | 113.5 | D130 L131 N137 H138 E139 I140 H176 Q180 | D130-T134 PolarHBondContact O-N 2.91Å; D130-T134 VanDerWaalsContact O-N 3.11Å; L131-T134 HydrophobicContact CD1-CG2 4.16Å; T134-N137 PolarHBondContact O-N 3.46Å; T134-H138 PolarHBondContact O-N 3.3Å; T134-E139 HydrophobicContact CG2-CB 4.17Å; T134-E139 PolarHBondContact O-N 2.99Å; T134-E139 PolarHBondContact OG1-OE2 3.34Å; T134-I140 HydrophobicContact CG2-CB 3.58Å; T134-I140 HydrophobicContact CG2-CG2 3.59Å; T134-H176 PolarHBondContact OG1-CE1 2.79Å; T134-H176 VanDerWaalsContact OG1-CE1 3.26Å; T134-Q180 HydrophobicContact CG2-CB 4.17Å; T134-Q180 HydrophobicContact CG2-CG 4.26Å; T134-Q180 PolarHBondContact OG1-NE2 2.96Å |
| 135 | L | 94.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.2 | -41.4 | 174.4 | -84.3 | 168.2 | 0 | 0 | 0 | 112.7 | L131 T133 N137 H138 I140 I145 A171 W244 R247 Q254 | L131-L135 HydrophobicContact CD1-CG 4.47Å; L131-L135 HydrophobicContact CG-CD1 4.28Å; L131-L135 HydrophobicContact CG-CG 4.45Å; L131-L135 VanDerWaalsContact O-CB 3.3Å; L131-L135 WeakPolarHBondContact O-CB 3.43Å; L131-L135 VanDerWaalsContact O-CG 3.28Å; L131-L135 WeakPolarHBondContact O-CG 3.48Å; L131-L135 PolarHBondContact O-N 2.97Å; T133-L135 VanDerWaalsContact C-N 3.32Å; T133-L135 PolarHBondContact O-N 3.38Å; L135-N137 VanDerWaalsContact C-N 3.32Å; L135-H138 PolarHBondContact O-N 3.24Å; L135-I140 HydrophobicContact CD2-CG2 4.1Å; L135-I140 HydrophobicContact CG-CG2 4.41Å; L135-I145 HydrophobicContact CD2-CD1 3.94Å; L135-A171 HydrophobicContact CD1-CB 3.84Å; L135-W244 HydrophobicContact CD1-CB 4.19Å; L135-W244 HydrophobicContact CD1-CG 3.89Å; L135-W244 HydrophobicContact CD2-CB 4.34Å; L135-R247 HydrophobicContact CD2-CB 4.03Å; L135-Q254 PolarHBondContact O-NE2 2.97Å; L135-Q254 PolarHBondContact O-OE1 3.11Å |
| 136 | K | 93.9 | Very high | 94.2 | Very high | 82 Ų | 82 | 33.2 Ų | 33.2 | 36% | 0.357 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64.4 | -37 | 177 | -77.3 | 173 | 170.5 | -173.5 | 0 | 112.7 | E132 T133 H138 I515 | E132-K136 WeakPolarHBondContact O-CG 3.11Å; E132-K136 PolarHBondContact O-N 3.39Å; E132-K136 VanDerWaalsContact O-N 3.17Å; T133-K136 WeakPolarHBondContact O-CB 3.34Å; T133-K136 PolarHBondContact O-N 2.97Å; T133-K136 VanDerWaalsContact O-N 3.08Å; K136-H138 PolarHBondContact O-CD2 3.49Å; K136-H138 VanDerWaalsContact O-CD2 3.23Å; K136-H138 PolarHBondContact O-N 2.82Å; K136-I515 HydrophobicContact CD-CD1 3.93Å; K136-I515 VanDerWaalsContact CE-CD1 3.41Å |
| 137 | N | 92.9 | Very high | 94.3 | Very high | 91 Ų | 91 | 32.3 Ų | 32.3 | 49% | 0.487 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -2.9 | -179.3 | -65 | 2.9 | 0 | 0 | 0 | 112.5 | T133 T134 L135 E139 | T133-N137 PolarHBondContact O-N 3.33Å; T133-N137 PolarHBondContact O-OD1 2.9Å; T134-N137 PolarHBondContact O-N 3.46Å; L135-N137 VanDerWaalsContact C-N 3.32Å; N137-E139 VanDerWaalsContact CB-CD 3.46Å; N137-E139 HydrophobicContact CB-CG 3.64Å; N137-E139 WeakPolarHBondContact CB-OE1 3.12Å; N137-E139 PolarHBondContact ND2-OE1 2.89Å; N137-E139 PolarHBondContact O-N 3.28Å |
| 138 | H | 91.5 | Very high | 94.5 | Very high | 75 Ų | 75 | 31 Ų | 31 | 35% | 0.347 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 27.1 | -175.8 | -61.7 | -100.9 | 0 | 0 | 0 | 114.2 | T134 L135 K136 H249 P250 Q254 | T134-H138 PolarHBondContact O-N 3.3Å; L135-H138 PolarHBondContact O-N 3.24Å; K136-H138 PolarHBondContact O-CD2 3.49Å; K136-H138 VanDerWaalsContact O-CD2 3.23Å; K136-H138 PolarHBondContact O-N 2.82Å; H138-H249 PolarHBondContact CE1-O 2.9Å; H138-H249 VanDerWaalsContact CE1-O 3.32Å; H138-H249 PolarHBondContact ND1-O 3.19Å; H138-P250 PolarHBondContact CE1-O 2.96Å; H138-P250 PolarHBondContact ND1-O 3.11Å; H138-Q254 PolarHBondContact CE1-NE2 2.86Å; H138-Q254 PolarHBondContact NE2-NE2 3.44Å; H138-Q254 VanDerWaalsContact NE2-NE2 3.1Å |
| 139 | E | 92.3 | Very high | 94.7 | Very high | 98 Ų | 98 | 28 Ų | 28 | 46% | 0.458 | 15% | 0.148 | S | C | . | . | trans | -76.5 | -27.5 | -175.7 | -66.7 | 160.3 | -175.6 | 0 | 0 | 113 | T134 N137 Q180 | T134-E139 HydrophobicContact CG2-CB 4.17Å; T134-E139 PolarHBondContact O-N 2.99Å; T134-E139 PolarHBondContact OG1-OE2 3.34Å; N137-E139 VanDerWaalsContact CB-CD 3.46Å; N137-E139 HydrophobicContact CB-CG 3.64Å; N137-E139 WeakPolarHBondContact CB-OE1 3.12Å; N137-E139 PolarHBondContact ND2-OE1 2.89Å; N137-E139 PolarHBondContact O-N 3.28Å; E139-Q180 PolarHBondContact OE2-NE2 3.26Å | ||
| 140 | I | 92.8 | Very high | 95 | Very high | 5 Ų | 5 | 28.6 Ų | 28.6 | 3% | 0.026 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -101 | 128.3 | -176 | -167.2 | 159.8 | 0 | 0 | 0 | 113.3 | L131 T134 L135 I145 Q180 E181 | L131-I140 HydrophobicContact CD1-CD1 3.87Å; L131-I140 HydrophobicContact CD1-CG2 4.2Å; T134-I140 HydrophobicContact CG2-CB 3.58Å; T134-I140 HydrophobicContact CG2-CG2 3.59Å; L135-I140 HydrophobicContact CD2-CG2 4.1Å; L135-I140 HydrophobicContact CG-CG2 4.41Å; I140-I145 HydrophobicContact CD1-CD1 4.05Å; I140-I145 HydrophobicContact CG1-CD1 4.13Å; I140-I145 HydrophobicContact CG1-CG1 4.47Å; I140-I145 HydrophobicContact CG2-CD1 3.59Å; I140-I145 HydrophobicContact CG2-CG1 4.25Å; I140-Q180 HydrophobicContact CD1-CB 4.1Å; I140-E181 HydrophobicContact CD1-CG 4.48Å |
| 141 | S | 93.4 | Very high | 95.1 | Very high | 59 Ų | 59 | 29.8 Ų | 29.8 | 41% | 0.413 | 16% | 0.159 | S | C | . | . | trans | -74.6 | 161.7 | 177.9 | 71.3 | 0 | 0 | 0 | 0 | 113.2 | S143 G144 I145 | S141-S143 PolarHBondContact O-N 3.32Å; S141-S143 VanDerWaalsContact O-N 3.15Å; S141-S143 PolarHBondContact OG-N 2.91Å; S141-G144 WeakPolarHBondContact O-CA 3.49Å; S141-G144 PolarHBondContact O-N 2.87Å; S141-G144 PolarHBondContact OG-N 2.83Å; S141-G144 VanDerWaalsContact OG-N 3.11Å; S141-I145 PolarHBondContact O-N 3.03Å | ||
| 142 | T | 93.5 | Very high | 95.2 | Very high | 12 Ų | 12 | 29.8 Ų | 29.8 | 7% | 0.074 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -53.3 | -32.6 | 170.5 | -42.6 | 0 | 0 | 0 | 0 | 112.8 | L146 L245 S248 Y303 L341 | T142-L146 PolarHBondContact O-N 2.75Å; T142-L245 HydrophobicContact CG2-CD2 3.48Å; T142-L245 VanDerWaalsContact CG2-CD2 3.48Å; T142-S248 PolarHBondContact OG1-OG 2.57Å; T142-S248 VanDerWaalsContact OG1-OG 3.12Å; T142-Y303 HydrophobicContact CG2-CE1 4.49Å; T142-L341 HydrophobicContact CG2-CD1 4.27Å |
| 143 | S | 94.6 | Very high | 95.4 | Very high | 39 Ų | 39 | 29.4 Ų | 29.4 | 27% | 0.273 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -67.9 | -46.3 | 172.9 | 168.6 | 0 | 0 | 0 | 0 | 111.7 | S141 I145 L146 E147 K338 | S141-S143 PolarHBondContact O-N 3.32Å; S141-S143 VanDerWaalsContact O-N 3.15Å; S141-S143 PolarHBondContact OG-N 2.91Å; S143-I145 VanDerWaalsContact C-N 3.32Å; S143-I145 PolarHBondContact O-N 3.03Å; S143-L146 PolarHBondContact O-N 3.34Å; S143-E147 PolarHBondContact O-N 3.42Å; S143-E147 VanDerWaalsContact O-N 3.14Å; S143-K338 VanDerWaalsContact OG-CE 3.25Å; S143-K338 WeakPolarHBondContact OG-CE 3.39Å |
| 144 | G | 95.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.6 | -36 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S141 L146 E147 A148 | S141-G144 WeakPolarHBondContact O-CA 3.49Å; S141-G144 PolarHBondContact O-N 2.87Å; S141-G144 PolarHBondContact OG-N 2.83Å; S141-G144 VanDerWaalsContact OG-N 3.11Å; G144-L146 PolarHBondContact O-N 3.08Å; G144-E147 PolarHBondContact O-N 3.19Å; G144-A148 WeakPolarHBondContact O-CB 3.45Å; G144-A148 PolarHBondContact O-N 2.81Å |
| 145 | I | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.3 | -41.9 | 173.1 | -68.1 | -52.2 | 0 | 0 | 0 | 112.4 | L131 L135 I140 S141 S143 E147 C149 L241 W244 L245 | L131-I145 HydrophobicContact CD1-CD1 4.26Å; L135-I145 HydrophobicContact CD2-CD1 3.94Å; I140-I145 HydrophobicContact CD1-CD1 4.05Å; I140-I145 HydrophobicContact CG1-CD1 4.13Å; I140-I145 HydrophobicContact CG1-CG1 4.47Å; I140-I145 HydrophobicContact CG2-CD1 3.59Å; I140-I145 HydrophobicContact CG2-CG1 4.25Å; S141-I145 PolarHBondContact O-N 3.03Å; S143-I145 VanDerWaalsContact C-N 3.32Å; S143-I145 PolarHBondContact O-N 3.03Å; I145-E147 VanDerWaalsContact C-N 3.34Å; I145-C149 WeakPolarHBondContact O-CB 3.46Å; I145-C149 PolarHBondContact O-N 3.35Å; I145-C149 PolarHBondContact O-SG 3.22Å; I145-C149 VanDerWaalsContact O-SG 3.34Å; I145-L241 HydrophobicContact CG2-CD1 4.4Å; I145-W244 HydrophobicContact CD1-CB 3.96Å; I145-W244 HydrophobicContact CG1-CB 4.33Å; I145-W244 HydrophobicContact CG2-CB 3.74Å; I145-W244 HydrophobicContact CG2-CE3 4.4Å; I145-L245 HydrophobicContact CB-CD2 4.49Å; I145-L245 HydrophobicContact CG2-CD2 4Å; I145-L245 HydrophobicContact CG2-CG 4.13Å |
| 146 | L | 97.4 | Very high | 96 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.6 | -33.6 | 178.4 | -71.9 | 162.7 | 0 | 0 | 0 | 112.1 | T142 S143 G144 A150 L241 L245 L334 A337 K338 L341 | T142-L146 PolarHBondContact O-N 2.75Å; S143-L146 PolarHBondContact O-N 3.34Å; G144-L146 PolarHBondContact O-N 3.08Å; L146-A150 PolarHBondContact O-N 3.23Å; L146-L241 HydrophobicContact CD2-CD1 3.77Å; L146-L245 HydrophobicContact CG-CD2 4.38Å; L146-L334 HydrophobicContact CD2-CD2 3.95Å; L146-A337 HydrophobicContact CD1-CB 4.31Å; L146-A337 HydrophobicContact CD2-CB 4.33Å; L146-K338 HydrophobicContact CB-CB 4.16Å; L146-K338 HydrophobicContact CD1-CB 4.08Å; L146-L341 HydrophobicContact CD1-CD1 3.85Å |
| 147 | E | 96.4 | Very high | 96.2 | Very high | 77 Ų | 77 | 26.2 Ų | 26.2 | 36% | 0.36 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -72.7 | -41.7 | 175.2 | -167.5 | 149.4 | -127.8 | 0 | 0 | 112.5 | S143 G144 I145 C149 A150 N151 E181 K338 | S143-E147 PolarHBondContact O-N 3.42Å; S143-E147 VanDerWaalsContact O-N 3.14Å; G144-E147 PolarHBondContact O-N 3.19Å; I145-E147 VanDerWaalsContact C-N 3.34Å; E147-C149 VanDerWaalsContact C-N 3.34Å; E147-C149 PolarHBondContact O-N 3.25Å; E147-A150 WeakPolarHBondContact O-CB 3.32Å; E147-A150 PolarHBondContact O-N 3.31Å; E147-A150 VanDerWaalsContact O-N 3.12Å; E147-N151 PolarHBondContact O-N 3.46Å; E147-E181 HydrophobicContact CB-CB 4.2Å; E147-E181 HydrophobicContact CB-CG 4.16Å; E147-E181 HydrophobicContact CG-CB 4.01Å; E147-E181 HydrophobicContact CG-CG 4.31Å; E147-K338 IonicContact OE1-NZ 2.89Å; E147-K338 PolarHBondContact OE1-NZ 3.5Å; E147-K338 IonicContact OE2-NZ 2.64Å; E147-K338 PolarHBondContact OE2-NZ 3.38Å |
| 148 | A | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.2 | -44.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | G144 A150 N151 V152 V183 | G144-A148 WeakPolarHBondContact O-CB 3.45Å; G144-A148 PolarHBondContact O-N 2.81Å; A148-A150 VanDerWaalsContact C-N 3.33Å; A148-A150 PolarHBondContact O-N 2.98Å; A148-N151 PolarHBondContact O-N 2.82Å; A148-V152 WeakPolarHBondContact O-CG2 3.5Å; A148-V152 PolarHBondContact O-N 3.11Å; A148-V183 HydrophobicContact CB-CG1 4.36Å; A148-V183 HydrophobicContact CB-CG2 4Å |
| 149 | C | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.9 | -39.2 | 173 | -77.1 | 0 | 0 | 0 | 0 | 112.8 | I145 E147 V152 L153 L237 L241 W244 L334 | I145-C149 WeakPolarHBondContact O-CB 3.46Å; I145-C149 PolarHBondContact O-N 3.35Å; I145-C149 PolarHBondContact O-SG 3.22Å; I145-C149 VanDerWaalsContact O-SG 3.34Å; E147-C149 VanDerWaalsContact C-N 3.34Å; E147-C149 PolarHBondContact O-N 3.25Å; C149-V152 PolarHBondContact O-N 2.78Å; C149-L153 PolarHBondContact O-N 3.44Å; C149-L237 HydrophobicContact CB-CD1 4.5Å; C149-L241 HydrophobicContact CB-CD1 4.41Å; C149-W244 WeakPolarHBondContact SG-CZ3 3.5Å; C149-L334 HydrophobicContact CB-CD1 3.7Å |
| 150 | A | 98 | Very high | 97.1 | Very high | 21 Ų | 21 | 14 Ų | 14 | 17% | 0.174 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -68.1 | -36.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L146 E147 A148 L153 N154 L334 | L146-A150 PolarHBondContact O-N 3.23Å; E147-A150 WeakPolarHBondContact O-CB 3.32Å; E147-A150 PolarHBondContact O-N 3.31Å; E147-A150 VanDerWaalsContact O-N 3.12Å; A148-A150 VanDerWaalsContact C-N 3.33Å; A148-A150 PolarHBondContact O-N 2.98Å; A150-L153 WeakPolarHBondContact O-CB 3.32Å; A150-L153 PolarHBondContact O-N 3.35Å; A150-N154 PolarHBondContact O-N 2.95Å; A150-N154 VanDerWaalsContact O-N 3.08Å; A150-N154 PolarHBondContact O-ND2 2.84Å; A150-L334 HydrophobicContact CB-CD1 4.31Å |
| 151 | N | 97.7 | Very high | 97.3 | Very high | 24 Ų | 24 | 16 Ų | 16 | 13% | 0.128 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.5 | -34.8 | 172.4 | -78.9 | -29.9 | 0 | 0 | 0 | 112.5 | Y100 E147 A148 N154 A155 E181 V183 | Y100-N151 HydrophobicContact CE1-CB 4.29Å; E147-N151 PolarHBondContact O-N 3.46Å; A148-N151 PolarHBondContact O-N 2.82Å; N151-N154 WeakPolarHBondContact O-CB 3.18Å; N151-N154 PolarHBondContact O-N 2.99Å; N151-A155 PolarHBondContact O-N 2.91Å; N151-A155 VanDerWaalsContact O-N 3.08Å; N151-E181 PolarHBondContact ND2-O 3.23Å; N151-V183 HydrophobicContact CB-CG2 4.34Å |
| 152 | V | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.5 | -41 | 168.9 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | A148 C149 N154 A155 L156 I169 L174 V183 L185 L237 | A148-V152 WeakPolarHBondContact O-CG2 3.5Å; A148-V152 PolarHBondContact O-N 3.11Å; C149-V152 PolarHBondContact O-N 2.78Å; V152-N154 VanDerWaalsContact C-N 3.32Å; V152-N154 PolarHBondContact O-N 3.4Å; V152-A155 PolarHBondContact O-N 3.36Å; V152-L156 HydrophobicContact CG1-CD1 3.93Å; V152-L156 HydrophobicContact CG1-CG 4.02Å; V152-L156 WeakPolarHBondContact O-CB 3.29Å; V152-L156 VanDerWaalsContact O-CG 3.29Å; V152-L156 WeakPolarHBondContact O-CG 3.17Å; V152-L156 PolarHBondContact O-N 2.83Å; V152-I169 HydrophobicContact CG1-CG2 4.2Å; V152-L174 HydrophobicContact CG2-CD1 3.9Å; V152-L174 HydrophobicContact CG2-CD2 3.58Å; V152-L174 HydrophobicContact CG2-CG 4.43Å; V152-V183 HydrophobicContact CG2-CG2 3.91Å; V152-L185 HydrophobicContact CG1-CD2 4.41Å; V152-L237 HydrophobicContact CB-CD1 4.29Å; V152-L237 HydrophobicContact CG1-CD1 3.96Å; V152-L237 HydrophobicContact CG1-CD2 4.17Å |
| 153 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.2 | -42.1 | 173.3 | -70.9 | 176.1 | 0 | 0 | 0 | 112.3 | C149 A150 L156 E157 L234 L237 F312 L330 R331 L334 | C149-L153 PolarHBondContact O-N 3.44Å; A150-L153 WeakPolarHBondContact O-CB 3.32Å; A150-L153 PolarHBondContact O-N 3.35Å; L153-L156 PolarHBondContact O-N 3.18Å; L153-E157 WeakPolarHBondContact O-CB 3.36Å; L153-E157 PolarHBondContact O-N 3.41Å; L153-L234 HydrophobicContact CD2-CD2 3.55Å; L153-L237 HydrophobicContact CD2-CD2 3.64Å; L153-L237 HydrophobicContact CG-CD2 4.02Å; L153-F312 HydrophobicContact CD1-CE2 4.17Å; L153-L330 HydrophobicContact CD1-CB 3.87Å; L153-L330 HydrophobicContact CD2-CB 4.39Å; L153-L330 HydrophobicContact CD2-CD1 4.45Å; L153-R331 HydrophobicContact CB-CG 4.22Å; L153-R331 HydrophobicContact CD1-CG 3.86Å; L153-L334 HydrophobicContact CD1-CD1 3.64Å; L153-L334 HydrophobicContact CD1-CG 4.46Å; L153-L334 HydrophobicContact CG-CD1 4.36Å |
| 154 | N | 98.4 | Very high | 97.9 | Very high | 15 Ų | 15 | 16.8 Ų | 16.8 | 8% | 0.08 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 176.1 | -70 | -31.5 | 0 | 0 | 0 | 111.9 | L98 L101 A150 N151 V152 Y158 R331 | L98-N154 HydrophobicContact CD1-CB 4.28Å; L101-N154 HydrophobicContact CD1-CB 4.16Å; L101-N154 WeakPolarHBondContact CD1-O 3.5Å; A150-N154 PolarHBondContact O-N 2.95Å; A150-N154 VanDerWaalsContact O-N 3.08Å; A150-N154 PolarHBondContact O-ND2 2.84Å; N151-N154 WeakPolarHBondContact O-CB 3.18Å; N151-N154 PolarHBondContact O-N 2.99Å; V152-N154 VanDerWaalsContact C-N 3.32Å; V152-N154 PolarHBondContact O-N 3.4Å; N154-Y158 PolarHBondContact O-N 2.78Å; N154-R331 WeakPolarHBondContact OD1-CD 3.2Å; N154-R331 PolarHBondContact OD1-NH1 2.91Å |
| 155 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -67.9 | -38.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I103 N151 V152 Y158 M159 L185 | I103-A155 HydrophobicContact CD1-CB 3.85Å; I103-A155 HydrophobicContact CG1-CB 4.01Å; N151-A155 PolarHBondContact O-N 2.91Å; N151-A155 VanDerWaalsContact O-N 3.08Å; V152-A155 PolarHBondContact O-N 3.36Å; A155-Y158 WeakPolarHBondContact O-CB 3.43Å; A155-Y158 PolarHBondContact O-N 2.91Å; A155-M159 WeakPolarHBondContact O-CG 3.47Å; A155-M159 PolarHBondContact O-N 3.45Å; A155-L185 HydrophobicContact CB-CD1 3.57Å; A155-L185 HydrophobicContact CB-CG 4.27Å |
| 156 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -66.5 | -45.6 | 174.3 | -71.9 | -178.9 | 0 | 0 | 0 | 112.1 | V152 L153 Y158 M159 H160 I169 L185 D233 L234 L237 | V152-L156 HydrophobicContact CG1-CD1 3.93Å; V152-L156 HydrophobicContact CG1-CG 4.02Å; V152-L156 WeakPolarHBondContact O-CB 3.29Å; V152-L156 VanDerWaalsContact O-CG 3.29Å; V152-L156 WeakPolarHBondContact O-CG 3.17Å; V152-L156 PolarHBondContact O-N 2.83Å; L153-L156 PolarHBondContact O-N 3.18Å; L156-Y158 PolarHBondContact O-N 3.04Å; L156-M159 PolarHBondContact O-N 2.87Å; L156-H160 VanDerWaalsContact O-CB 3.25Å; L156-H160 WeakPolarHBondContact O-CB 3.5Å; L156-H160 PolarHBondContact O-N 3.4Å; L156-H160 PolarHBondContact O-ND1 3.13Å; L156-I169 HydrophobicContact CD1-CD1 3.88Å; L156-I169 HydrophobicContact CD2-CD1 3.91Å; L156-I169 HydrophobicContact CD2-CG1 4.49Å; L156-I169 HydrophobicContact CG-CD1 4.43Å; L156-L185 HydrophobicContact CD2-CD1 4.2Å; L156-D233 HydrophobicContact CD1-CB 4.35Å; L156-D233 HydrophobicContact CD2-CB 4.17Å; L156-D233 WeakPolarHBondContact CD2-OD2 3.46Å; L156-L234 HydrophobicContact CD1-CD2 4.17Å; L156-L237 HydrophobicContact CD1-CD2 4.27Å |
| 157 | E | 98.7 | Very high | 98.1 | Very high | 31 Ų | 31 | 17 Ų | 17 | 15% | 0.145 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -57.1 | -41.3 | 176.5 | -171.9 | -179.9 | -134.9 | 0 | 0 | 111.1 | W92 L153 H160 S161 Y327 R331 | W92-E157 HydrophobicContact CH2-CG 4.12Å; W92-E157 HydrophobicContact CZ2-CB 4.28Å; W92-E157 HydrophobicContact CZ2-CG 3.79Å; L153-E157 WeakPolarHBondContact O-CB 3.36Å; L153-E157 PolarHBondContact O-N 3.41Å; E157-H160 PolarHBondContact O-N 3.19Å; E157-S161 WeakPolarHBondContact O-CB 3.39Å; E157-S161 PolarHBondContact O-N 3.1Å; E157-Y327 HydrophobicContact CB-CD1 3.93Å; E157-Y327 HydrophobicContact CB-CD2 4.02Å; E157-Y327 HydrophobicContact CB-CE1 4.32Å; E157-Y327 HydrophobicContact CB-CE2 4.4Å; E157-Y327 HydrophobicContact CB-CG 3.78Å; E157-Y327 HydrophobicContact CG-CD1 4.41Å; E157-Y327 HydrophobicContact CG-CD2 3.58Å; E157-Y327 HydrophobicContact CG-CE2 4.08Å; E157-Y327 HydrophobicContact CG-CG 3.78Å; E157-Y327 WeakPolarHBondContact OE1-CB 3.29Å; E157-R331 VanDerWaalsContact CD-NH2 3.34Å; E157-R331 IonicContact OE1-CZ 3.52Å; E157-R331 IonicContact OE1-NH1 3.31Å; E157-R331 IonicContact OE1-NH2 3.59Å; E157-R331 PolarHBondContact OE1-NH2 2.83Å; E157-R331 IonicContact OE2-CZ 3.72Å; E157-R331 VanDerWaalsContact OE2-CZ 3.31Å; E157-R331 IonicContact OE2-NH1 3.79Å; E157-R331 PolarHBondContact OE2-NH1 3.04Å; E157-R331 IonicContact OE2-NH2 2.75Å; E157-R331 PolarHBondContact OE2-NH2 3.02Å |
| 158 | Y | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 0% | 0.004 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -57.6 | -57.1 | 171.1 | 179.9 | -96.2 | 0 | 0 | 0 | 112.1 | A83 S88 W92 L101 I103 N154 A155 L156 H160 S161 R162 | A83-Y158 VanDerWaalsContact O-CE1 3.25Å; A83-Y158 WeakPolarHBondContact O-CE1 3.39Å; A83-Y158 VanDerWaalsContact O-CZ 3.3Å; A83-Y158 PolarHBondContact O-OH 3.38Å; S88-Y158 WeakPolarHBondContact CB-OH 3.36Å; S88-Y158 PolarHBondContact OG-OH 3.23Å; W92-Y158 HydrophobicContact CB-CD2 3.7Å; W92-Y158 HydrophobicContact CB-CE2 3.72Å; W92-Y158 AromaticContact CD1-CD2 3.91Å; W92-Y158 AromaticContact CD2-CD2 3.52Å; W92-Y158 HydrophobicContact CD2-CD2 3.52Å; W92-Y158 HydrophobicContact CD2-CE2 4.29Å; W92-Y158 HydrophobicContact CD2-CG 4.46Å; W92-Y158 AromaticContact CE3-CD2 3.86Å; W92-Y158 HydrophobicContact CE3-CD2 3.86Å; W92-Y158 HydrophobicContact CE3-CE2 4.43Å; W92-Y158 AromaticContact CG-CD2 3.43Å; W92-Y158 HydrophobicContact CG-CD2 3.43Å; W92-Y158 VanDerWaalsContact CG-CD2 3.43Å; W92-Y158 AromaticContact CG-CE2 3.99Å; W92-Y158 HydrophobicContact CG-CE2 3.99Å; W92-Y158 HydrophobicContact CG-CG 4.49Å; L101-Y158 HydrophobicContact CD2-CD2 3.84Å; L101-Y158 HydrophobicContact CD2-CE2 4.31Å; L101-Y158 HydrophobicContact CD2-CG 3.93Å; I103-Y158 HydrophobicContact CB-CD1 4.41Å; I103-Y158 HydrophobicContact CD1-CD1 4.2Å; I103-Y158 HydrophobicContact CG1-CD1 3.73Å; I103-Y158 HydrophobicContact CG1-CE1 4.37Å; I103-Y158 HydrophobicContact CG1-CG 4.29Å; I103-Y158 HydrophobicContact CG2-CD1 4.2Å; I103-Y158 HydrophobicContact CG2-CE1 4.01Å; N154-Y158 PolarHBondContact O-N 2.78Å; A155-Y158 WeakPolarHBondContact O-CB 3.43Å; A155-Y158 PolarHBondContact O-N 2.91Å; L156-Y158 PolarHBondContact O-N 3.04Å; Y158-H160 VanDerWaalsContact C-N 3.27Å; Y158-H160 PolarHBondContact O-N 2.81Å; Y158-S161 WeakPolarHBondContact O-CB 3.2Å; Y158-S161 PolarHBondContact O-N 3.24Å; Y158-S161 VanDerWaalsContact O-N 3.11Å; Y158-S161 PolarHBondContact O-OG 3.47Å; Y158-R162 HydrophobicContact CD1-CG 4.43Å; Y158-R162 HydrophobicContact CE1-CG 4.09Å; Y158-R162 HydrophobicContact CE2-CG 4.48Å; Y158-R162 WeakPolarHBondContact O-CG 3.23Å; Y158-R162 PolarHBondContact O-N 3.01Å; Y158-R162 VanDerWaalsContact O-N 3.09Å |
| 159 | M | 98.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -56.3 | -43.1 | -179.3 | -71.2 | 179.4 | 65.9 | 0 | 0 | 112.2 | F79 I103 A155 L156 S161 R162 D163 Y164 H166 L185 F188 V191 | F79-M159 HydrophobicContact CE2-CE 3.96Å; F79-M159 HydrophobicContact CE2-CG 4.19Å; F79-M159 HydrophobicContact CZ-CE 3.84Å; F79-M159 HydrophobicContact CZ-CG 3.92Å; F79-M159 HydrophobicContact CZ-SD 4.19Å; I103-M159 HydrophobicContact CD1-CG 3.66Å; I103-M159 HydrophobicContact CD1-SD 3.93Å; A155-M159 WeakPolarHBondContact O-CG 3.47Å; A155-M159 PolarHBondContact O-N 3.45Å; L156-M159 PolarHBondContact O-N 2.87Å; M159-S161 VanDerWaalsContact C-N 3.34Å; M159-S161 PolarHBondContact O-N 3.39Å; M159-R162 CarbonylContact O-C 3.59Å; M159-R162 VanDerWaalsContact O-C 3.29Å; M159-R162 WeakPolarHBondContact O-CA 3.31Å; M159-R162 PolarHBondContact O-N 3.49Å; M159-D163 PolarHBondContact O-N 3.26Å; M159-Y164 CarbonylContact C-O 3.51Å; M159-Y164 PolarHBondContact O-N 3.05Å; M159-H166 HydrophobicContact CE-CB 3.83Å; M159-H166 HydrophobicContact SD-CB 4.46Å; M159-L185 HydrophobicContact SD-CD1 3.88Å; M159-F188 HydrophobicContact CE-CD1 3.82Å; M159-F188 HydrophobicContact CE-CE1 3.7Å; M159-F188 HydrophobicContact SD-CD1 4.45Å; M159-F188 HydrophobicContact SD-CE1 3.72Å; M159-V191 HydrophobicContact CE-CG2 3.66Å |
| 160 | H | 98.5 | Very high | 98.1 | Very high | 5 Ų | 5 | 14.2 Ų | 14.2 | 2% | 0.023 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -72.1 | -24.8 | -179.3 | -65.5 | 132.6 | 0 | 0 | 0 | 113.6 | L156 E157 Y158 R162 Y164 F194 R195 R230 D233 Y327 | L156-H160 VanDerWaalsContact O-CB 3.25Å; L156-H160 WeakPolarHBondContact O-CB 3.5Å; L156-H160 PolarHBondContact O-N 3.4Å; L156-H160 PolarHBondContact O-ND1 3.13Å; E157-H160 PolarHBondContact O-N 3.19Å; Y158-H160 VanDerWaalsContact C-N 3.27Å; Y158-H160 PolarHBondContact O-N 2.81Å; H160-R162 VanDerWaalsContact C-N 3.34Å; H160-Y164 PolarHBondContact CD2-O 3.07Å; H160-Y164 PolarHBondContact N-O 3.15Å; H160-F194 HydrophobicContact CB-CE1 4.46Å; H160-F194 AromaticContact CD2-CE1 3.74Å; H160-R195 PolarHBondContact O-NH2 3.42Å; H160-R230 HydrophobicContact CB-CG 3.8Å; H160-R230 WeakPolarHBondContact CD2-CG 3.46Å; H160-R230 VanDerWaalsContact CG-CG 3.46Å; H160-D233 IonicContact CE1-OD2 2.85Å; H160-D233 IonicContact NE2-OD2 3.41Å; H160-D233 PolarHBondContact NE2-OD2 2.84Å; H160-Y327 WeakPolarHBondContact CB-OH 3.38Å; H160-Y327 AromaticContact ND1-CE1 3.89Å; H160-Y327 AromaticContact ND1-CZ 3.79Å; H160-Y327 PolarHBondContact ND1-OH 2.95Å |
| 161 | S | 97.7 | Very high | 98.1 | Very high | 48 Ų | 48 | 13.2 Ų | 13.2 | 34% | 0.336 | 7% | 0.067 | S | C | . | . | H | α-helix | trans | -71.5 | -29.9 | 166.2 | 83.1 | 0 | 0 | 0 | 0 | 112.3 | W92 E157 Y158 M159 D163 | W92-S161 VanDerWaalsContact CZ3-CB 3.5Å; W92-S161 WeakPolarHBondContact CZ3-OG 3.28Å; E157-S161 WeakPolarHBondContact O-CB 3.39Å; E157-S161 PolarHBondContact O-N 3.1Å; Y158-S161 WeakPolarHBondContact O-CB 3.2Å; Y158-S161 PolarHBondContact O-N 3.24Å; Y158-S161 VanDerWaalsContact O-N 3.11Å; Y158-S161 PolarHBondContact O-OG 3.47Å; M159-S161 VanDerWaalsContact C-N 3.34Å; M159-S161 PolarHBondContact O-N 3.39Å; S161-D163 VanDerWaalsContact C-N 3.29Å; S161-D163 PolarHBondContact O-N 2.81Å |
| 162 | R | 97.3 | Very high | 97.9 | Very high | 80 Ų | 80 | 12.6 Ų | 12.6 | 30% | 0.302 | 7% | 0.065 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 18.1 | 175.9 | -54.7 | -54.1 | -121.4 | 81.7 | -0.7 | 113.4 | R82 A83 S88 Y158 M159 H160 Y164 | R82-R162 PolarHBondContact O-NH1 3.45Å; A83-R162 HydrophobicContact CB-CB 4.16Å; A83-R162 HydrophobicContact CB-CG 4.43Å; S88-R162 PolarHBondContact OG-NE 3.21Å; S88-R162 PolarHBondContact OG-NH2 2.82Å; Y158-R162 HydrophobicContact CD1-CG 4.43Å; Y158-R162 HydrophobicContact CE1-CG 4.09Å; Y158-R162 HydrophobicContact CE2-CG 4.48Å; Y158-R162 WeakPolarHBondContact O-CG 3.23Å; Y158-R162 PolarHBondContact O-N 3.01Å; Y158-R162 VanDerWaalsContact O-N 3.09Å; M159-R162 CarbonylContact O-C 3.59Å; M159-R162 VanDerWaalsContact O-C 3.29Å; M159-R162 WeakPolarHBondContact O-CA 3.31Å; M159-R162 PolarHBondContact O-N 3.49Å; H160-R162 VanDerWaalsContact C-N 3.34Å; R162-Y164 VanDerWaalsContact C-N 3.3Å; R162-Y164 HydrophobicContact CB-CD2 4.43Å; R162-Y164 WeakPolarHBondContact O-CD2 3.35Å; R162-Y164 PolarHBondContact O-N 3.49Å |
| 163 | D | 97.6 | Very high | 97.9 | Very high | 40 Ų | 40 | 12.8 Ų | 12.8 | 21% | 0.214 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 12.2 | 177.7 | -58.8 | -20.3 | 0 | 0 | 0 | 116.5 | M159 S161 L193 F194 R195 | M159-D163 PolarHBondContact O-N 3.26Å; S161-D163 VanDerWaalsContact C-N 3.29Å; S161-D163 PolarHBondContact O-N 2.81Å; D163-L193 HydrophobicContact CB-CD1 3.62Å; D163-L193 CarbonylContact O-C 3.58Å; D163-L193 WeakPolarHBondContact O-CA 3.38Å; D163-F194 WeakPolarHBondContact O-CD1 3.45Å; D163-F194 WeakPolarHBondContact O-CE1 3.47Å; D163-F194 PolarHBondContact O-N 3.08Å; D163-R195 HydrophobicContact CB-CB 4Å; D163-R195 VanDerWaalsContact CB-O 3.29Å; D163-R195 WeakPolarHBondContact CB-O 3.34Å; D163-R195 IonicContact OD1-CZ 3.67Å; D163-R195 IonicContact OD1-NE 2.82Å; D163-R195 PolarHBondContact OD1-NE 2.82Å; D163-R195 IonicContact OD1-NH2 3.58Å; D163-R195 PolarHBondContact OD1-NH2 3.19Å |
| 164 | Y | 98.1 | Very high | 97.8 | Very high | 6 Ų | 6 | 12.8 Ų | 12.8 | 2% | 0.024 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 145.5 | -177.4 | -73.7 | -80.6 | 0 | 0 | 0 | 113.9 | F79 R82 A83 M159 H160 R162 V191 H192 L193 | F79-Y164 HydrophobicContact CB-CE1 4.4Å; F79-Y164 AromaticContact CD2-CD1 3.86Å; F79-Y164 HydrophobicContact CD2-CD1 3.86Å; F79-Y164 AromaticContact CD2-CD2 3.63Å; F79-Y164 HydrophobicContact CD2-CD2 3.63Å; F79-Y164 HydrophobicContact CD2-CE1 4.21Å; F79-Y164 HydrophobicContact CD2-CE2 4.04Å; F79-Y164 AromaticContact CD2-CG 3.55Å; F79-Y164 HydrophobicContact CD2-CG 3.55Å; F79-Y164 AromaticContact CE2-CD2 3.99Å; F79-Y164 HydrophobicContact CE2-CD2 3.99Å; F79-Y164 AromaticContact CE2-CG 3.94Å; F79-Y164 HydrophobicContact CE2-CG 3.94Å; R82-Y164 WeakPolarHBondContact CD-OH 3.17Å; A83-Y164 HydrophobicContact CB-CD2 4.2Å; A83-Y164 HydrophobicContact CB-CE2 4.27Å; M159-Y164 CarbonylContact C-O 3.51Å; M159-Y164 PolarHBondContact O-N 3.05Å; H160-Y164 PolarHBondContact CD2-O 3.07Å; H160-Y164 PolarHBondContact N-O 3.15Å; R162-Y164 VanDerWaalsContact C-N 3.3Å; R162-Y164 HydrophobicContact CB-CD2 4.43Å; R162-Y164 WeakPolarHBondContact O-CD2 3.35Å; R162-Y164 PolarHBondContact O-N 3.49Å; Y164-V191 HydrophobicContact CD1-CG1 4.4Å; Y164-V191 HydrophobicContact CD1-CG2 3.9Å; Y164-V191 HydrophobicContact CG-CG2 4.3Å; Y164-H192 CarbonylContact C-O 3.44Å; Y164-H192 WeakPolarHBondContact CA-O 3.43Å; Y164-L193 HydrophobicContact CD1-CB 4.04Å; Y164-L193 HydrophobicContact CD1-CD1 4.26Å; Y164-L193 HydrophobicContact CD2-CD1 4.17Å; Y164-L193 HydrophobicContact CE1-CB 3.7Å; Y164-L193 HydrophobicContact CE1-CD1 3.92Å; Y164-L193 HydrophobicContact CE1-CG 4.42Å; Y164-L193 HydrophobicContact CE2-CD1 3.78Å; Y164-L193 HydrophobicContact CG-CD1 4.38Å |
| 165 | A | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 141.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | V191 H192 F194 P228 D233 | A165-V191 CarbonylContact O-C 3.52Å; A165-V191 VanDerWaalsContact O-CA 3.31Å; A165-V191 WeakPolarHBondContact O-CA 3.25Å; A165-V191 WeakPolarHBondContact O-CG2 3.39Å; A165-H192 PolarHBondContact N-O 3.46Å; A165-H192 PolarHBondContact O-N 3.02Å; A165-F194 HydrophobicContact CB-CD1 3.94Å; A165-P228 HydrophobicContact CB-CB 4.36Å; A165-D233 WeakPolarHBondContact CA-OD2 3.37Å |
| 166 | H | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | trans | -82.6 | -38.5 | -167.5 | -167.3 | -38.7 | 0 | 0 | 0 | 114.7 | M159 D168 I169 A186 D187 F188 D233 | M159-H166 HydrophobicContact CE-CB 3.83Å; M159-H166 HydrophobicContact SD-CB 4.46Å; H166-D168 PolarHBondContact O-N 3.21Å; H166-D168 VanDerWaalsContact O-N 3.09Å; H166-I169 HydrophobicContact CB-CG1 4.23Å; H166-A186 PolarHBondContact CE1-O 3.08Å; H166-A186 VanDerWaalsContact CE1-O 3.29Å; H166-A186 PolarHBondContact NE2-O 3.41Å; H166-D187 PolarHBondContact CE1-O 3.04Å; H166-F188 AromaticContact CD2-CD1 3.89Å; H166-F188 AromaticContact CD2-CE1 3.63Å; H166-F188 AromaticContact NE2-CD1 3.91Å; H166-F188 AromaticContact NE2-CE1 3.77Å; H166-D233 WeakPolarHBondContact CB-OD2 3.47Å; H166-D233 PolarHBondContact N-OD1 3.21Å; H166-D233 PolarHBondContact N-OD2 2.85Å | ||
| 167 | A | 97.7 | Very high | 97 | Very high | 8 Ų | 8 | 19 Ų | 19 | 7% | 0.066 | 9% | 0.09 | C | C | . | . | S | Bend | trans | 60.5 | 7.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | L190 P228 D233 | A167-L190 HydrophobicContact CB-CB 4.13Å; A167-P228 HydrophobicContact CB-CB 3.71Å; A167-P228 HydrophobicContact CB-CG 3.58Å; A167-D233 PolarHBondContact N-OD1 3.26Å |
| 168 | D | 97.2 | Very high | 96.3 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.011 | 11% | 0.114 | C | C | . | . | trans | -153.6 | 38.5 | 178.6 | -151.5 | 27.4 | 0 | 0 | 0 | 113.7 | H166 K170 N173 L190 T214 R511 | H166-D168 PolarHBondContact O-N 3.21Å; H166-D168 VanDerWaalsContact O-N 3.09Å; D168-K170 PolarHBondContact O-N 3.13Å; D168-K170 IonicContact OD1-NZ 2.68Å; D168-K170 IonicContact OD2-NZ 2.99Å; D168-K170 PolarHBondContact OD2-NZ 2.88Å; D168-N173 PolarHBondContact O-ND2 3.01Å; D168-L190 HydrophobicContact CB-CD1 3.95Å; D168-L190 HydrophobicContact CB-CG 4.34Å; D168-T214 WeakPolarHBondContact OD1-CB 3.4Å; D168-T214 PolarHBondContact OD1-N 3Å; D168-T214 PolarHBondContact OD1-OG1 3.45Å; D168-R511 IonicContact OD2-CZ 3.41Å; D168-R511 IonicContact OD2-NE 3.52Å; D168-R511 IonicContact OD2-NH1 2.73Å; D168-R511 PolarHBondContact OD2-NH1 2.79Å | ||
| 169 | I | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -62.6 | 129.5 | 175 | -50.6 | 153.6 | 0 | 0 | 0 | 108.9 | V152 L156 H166 L185 D233 I236 N240 | V152-I169 HydrophobicContact CG1-CG2 4.2Å; L156-I169 HydrophobicContact CD1-CD1 3.88Å; L156-I169 HydrophobicContact CD2-CD1 3.91Å; L156-I169 HydrophobicContact CD2-CG1 4.49Å; L156-I169 HydrophobicContact CG-CD1 4.43Å; H166-I169 HydrophobicContact CB-CG1 4.23Å; I169-L185 HydrophobicContact CG1-CD2 4.37Å; I169-L185 HydrophobicContact CG2-CD2 4.2Å; I169-D233 HydrophobicContact CD1-CB 4.03Å; I169-D233 WeakPolarHBondContact CD1-O 3.49Å; I169-I236 HydrophobicContact CB-CG2 3.83Å; I169-I236 HydrophobicContact CD1-CB 4.42Å; I169-I236 HydrophobicContact CD1-CG2 4.31Å; I169-I236 HydrophobicContact CG1-CG2 4.43Å; I169-I236 WeakPolarHBondContact O-CG2 3.39Å; I169-N240 PolarHBondContact O-ND2 2.87Å | ||
| 170 | K | 97.4 | Very high | 95.5 | Very high | 17 Ų | 17 | 26.3 Ų | 26.3 | 7% | 0.074 | 14% | 0.137 | C | C | . | . | trans | -167.3 | 163.1 | 175.2 | 63.7 | -156.1 | -178 | -148 | 0 | 110.1 | D168 S172 N173 L174 T214 F217 N240 | D168-K170 PolarHBondContact O-N 3.13Å; D168-K170 IonicContact OD1-NZ 2.68Å; D168-K170 IonicContact OD2-NZ 2.99Å; D168-K170 PolarHBondContact OD2-NZ 2.88Å; K170-S172 VanDerWaalsContact C-N 3.31Å; K170-S172 PolarHBondContact O-N 3.22Å; K170-N173 VanDerWaalsContact CE-CG 3.49Å; K170-N173 WeakPolarHBondContact CE-ND2 3.45Å; K170-N173 WeakPolarHBondContact CE-OD1 3.49Å; K170-N173 HydrophobicContact CG-CB 3.94Å; K170-N173 CarbonylContact O-C 3.55Å; K170-N173 WeakPolarHBondContact O-CA 3.2Å; K170-N173 WeakPolarHBondContact O-CB 3.37Å; K170-N173 PolarHBondContact O-N 3.04Å; K170-L174 PolarHBondContact O-N 3.11Å; K170-T214 HydrophobicContact CD-CG2 4.36Å; K170-T214 WeakPolarHBondContact CD-OG1 3.49Å; K170-T214 PolarHBondContact NZ-OG1 3.42Å; K170-F217 HydrophobicContact CB-CD2 3.77Å; K170-F217 HydrophobicContact CB-CE2 3.78Å; K170-N240 WeakPolarHBondContact CA-OD1 3.36Å | ||
| 171 | A | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -58.7 | -36.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L131 E132 L135 N173 L174 W244 | L131-A171 HydrophobicContact CB-CB 3.93Å; L131-A171 HydrophobicContact CD2-CB 4.14Å; L131-A171 HydrophobicContact CG-CB 3.91Å; L131-A171 PolarHBondContact N-O 3.04Å; E132-A171 HydrophobicContact CB-CB 3.73Å; E132-A171 PolarHBondContact N-O 3.39Å; L135-A171 HydrophobicContact CD1-CB 3.84Å; A171-N173 PolarHBondContact O-N 3.42Å; A171-L174 PolarHBondContact O-N 3.17Å; A171-W244 HydrophobicContact CB-CZ2 4.27Å |
| 172 | S | 94.7 | Very high | 94.9 | Very high | 11 Ų | 11 | 28.8 Ų | 28.8 | 8% | 0.077 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -75.2 | -0.4 | 173.9 | 42.8 | 0 | 0 | 0 | 0 | 115 | K170 L514 | K170-S172 VanDerWaalsContact C-N 3.31Å; K170-S172 PolarHBondContact O-N 3.22Å; S172-L514 VanDerWaalsContact O-CB 3.29Å; S172-L514 WeakPolarHBondContact O-CB 3.31Å |
| 173 | N | 96.7 | Very high | 94.9 | Very high | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.027 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -111.9 | 14 | 168.3 | -76.8 | 4.5 | 0 | 0 | 0 | 111.4 | D168 K170 A171 A186 | D168-N173 PolarHBondContact O-ND2 3.01Å; K170-N173 VanDerWaalsContact CE-CG 3.49Å; K170-N173 WeakPolarHBondContact CE-ND2 3.45Å; K170-N173 WeakPolarHBondContact CE-OD1 3.49Å; K170-N173 HydrophobicContact CG-CB 3.94Å; K170-N173 CarbonylContact O-C 3.55Å; K170-N173 WeakPolarHBondContact O-CA 3.2Å; K170-N173 WeakPolarHBondContact O-CB 3.37Å; K170-N173 PolarHBondContact O-N 3.04Å; A171-N173 PolarHBondContact O-N 3.42Å; N173-A186 WeakPolarHBondContact CB-O 3.39Å; N173-A186 PolarHBondContact O-N 3.29Å |
| 174 | L | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 101.6 | 178.4 | -74.4 | 174 | 0 | 0 | 0 | 109.5 | D130 L131 V152 K170 A171 V183 Y184 L185 W244 | D130-L174 CarbonylContact C-O 3.6Å; D130-L174 VanDerWaalsContact CA-O 3.29Å; D130-L174 WeakPolarHBondContact CA-O 3.49Å; L131-L174 HydrophobicContact CB-CB 3.97Å; L131-L174 HydrophobicContact CD2-CB 4.38Å; L131-L174 HydrophobicContact CD2-CD1 3.8Å; L131-L174 PolarHBondContact N-O 3.24Å; V152-L174 HydrophobicContact CG2-CD1 3.9Å; V152-L174 HydrophobicContact CG2-CD2 3.58Å; V152-L174 HydrophobicContact CG2-CG 4.43Å; K170-L174 PolarHBondContact O-N 3.11Å; A171-L174 PolarHBondContact O-N 3.17Å; L174-V183 HydrophobicContact CB-CB 4.09Å; L174-V183 HydrophobicContact CB-CG1 4.28Å; L174-V183 HydrophobicContact CD2-CB 4.08Å; L174-V183 HydrophobicContact CD2-CG2 4.06Å; L174-Y184 WeakPolarHBondContact CA-O 3.37Å; L174-L185 HydrophobicContact CD2-CD2 3.55Å; L174-L185 HydrophobicContact CD2-CG 4.13Å; L174-W244 HydrophobicContact CD1-CH2 3.28Å; L174-W244 HydrophobicContact CD1-CZ2 3.73Å; L174-W244 HydrophobicContact CD1-CZ3 4.07Å |
| 175 | L | 96.6 | Very high | 94.9 | Very high | 26 Ų | 26 | 24.8 Ų | 24.8 | 14% | 0.136 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 138.7 | -173.8 | -50.4 | -177.1 | 0 | 0 | 0 | 110.4 | F127 G129 D130 Y184 A186 L514 | F127-L175 HydrophobicContact CB-CB 3.83Å; F127-L175 HydrophobicContact CB-CD1 4.26Å; F127-L175 HydrophobicContact CD1-CB 4.04Å; F127-L175 HydrophobicContact CD2-CB 4.05Å; F127-L175 HydrophobicContact CD2-CD1 3.55Å; F127-L175 HydrophobicContact CD2-CG 4.47Å; F127-L175 HydrophobicContact CE2-CD1 4.17Å; F127-L175 HydrophobicContact CG-CB 3.68Å; F127-L175 HydrophobicContact CG-CD1 4.02Å; G129-L175 WeakPolarHBondContact O-CA 3.4Å; D130-L175 HydrophobicContact CB-CD2 3.82Å; L175-Y184 PolarHBondContact N-O 3.5Å; L175-Y184 WeakPolarHBondContact O-CB 3.29Å; L175-Y184 WeakPolarHBondContact O-CD2 3.43Å; L175-Y184 PolarHBondContact O-N 3.01Å; L175-A186 HydrophobicContact CD1-CB 3.7Å; L175-A186 HydrophobicContact CG-CB 3.88Å; L175-L514 HydrophobicContact CD2-CD2 3.6Å |
| 176 | H | 94.4 | Very high | 94.7 | Very high | 20 Ų | 20 | 25.2 Ų | 25.2 | 9% | 0.093 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 168.3 | 177.4 | 62.4 | -102 | 0 | 0 | 0 | 111.9 | F127 S128 G129 D130 T134 S179 | F127-H176 WeakPolarHBondContact CB-O 3.44Å; S128-H176 PolarHBondContact N-O 3.13Å; S128-H176 PolarHBondContact OG-CD2 3.14Å; S128-H176 PolarHBondContact OG-NE2 2.91Å; S128-H176 PolarHBondContact OG-O 3.3Å; S128-H176 VanDerWaalsContact OG-O 3.08Å; G129-H176 PolarHBondContact O-N 3.22Å; D130-H176 PolarHBondContact N-CE1 3.45Å; T134-H176 PolarHBondContact OG1-CE1 2.79Å; T134-H176 VanDerWaalsContact OG1-CE1 3.26Å; H176-S179 WeakPolarHBondContact CB-O 3.42Å |
| 177 | R | 87.8 | Confident | 94.5 | Very high | 98 Ų | 98 | 26.6 Ų | 26.6 | 37% | 0.37 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -133.1 | -34.4 | -177 | 179.3 | -178.9 | -60.7 | -64.2 | -12 | 113.8 | R126 F127 Y184 | R126-R177 PolarHBondContact O-NH1 3.18Å; R126-R177 PolarHBondContact O-NH2 2.93Å; F127-R177 HydrophobicContact CD1-CB 4.35Å; R177-Y184 HydrophobicContact CB-CE2 4.4Å |
| 178 | T | 85.1 | Confident | 94.4 | Very high | 104 Ų | 104 | 26.2 Ų | 26.2 | 64% | 0.638 | 13% | 0.133 | S | C | * | . | S | Bend | trans | -138.6 | -75.9 | -162.1 | 23.8 | 0 | 0 | 0 | 0 | 109.3 | E182 | T178-E182 PolarHBondContact OG1-OE2 3.39Š|
| 179 | S | 89.9 | Confident | 94.2 | Very high | 40 Ų | 40 | 26.1 Ų | 26.1 | 28% | 0.28 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -95 | 160.3 | 165.7 | 112.1 | 0 | 0 | 0 | 0 | 110 | H176 E181 E182 | H176-S179 WeakPolarHBondContact CB-O 3.42Å; S179-E181 VanDerWaalsContact C-N 3.31Å; S179-E181 VanDerWaalsContact CB-OE2 3.24Å; S179-E181 WeakPolarHBondContact CB-OE2 3.46Å; S179-E181 PolarHBondContact OG-N 2.9Å; S179-E181 PolarHBondContact OG-OE2 3.35Å; S179-E182 PolarHBondContact OG-N 3.32Å |
| 180 | Q | 89.5 | Confident | 94 | Very high | 43 Ų | 43 | 26.5 Ų | 26.5 | 20% | 0.201 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -81.1 | -16.5 | -179.1 | -61.3 | -172 | -23.6 | 0 | 0 | 112.6 | T134 E139 I140 V183 | T134-Q180 HydrophobicContact CG2-CB 4.17Å; T134-Q180 HydrophobicContact CG2-CG 4.26Å; T134-Q180 PolarHBondContact OG1-NE2 2.96Å; E139-Q180 PolarHBondContact OE2-NE2 3.26Å; I140-Q180 HydrophobicContact CD1-CB 4.1Å; Q180-V183 VanDerWaalsContact O-CG1 3.26Å; Q180-V183 WeakPolarHBondContact O-CG1 3.35Å |
| 181 | E | 89.4 | Confident | 93.9 | Very high | 46 Ų | 46 | 25.8 Ų | 25.8 | 22% | 0.215 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -83.6 | -25.7 | 174.3 | -53.3 | 78 | -172.5 | 0 | 0 | 112.5 | I140 E147 N151 S179 V183 | I140-E181 HydrophobicContact CD1-CG 4.48Å; E147-E181 HydrophobicContact CB-CB 4.2Å; E147-E181 HydrophobicContact CB-CG 4.16Å; E147-E181 HydrophobicContact CG-CB 4.01Å; E147-E181 HydrophobicContact CG-CG 4.31Å; N151-E181 PolarHBondContact ND2-O 3.23Å; S179-E181 VanDerWaalsContact C-N 3.31Å; S179-E181 VanDerWaalsContact CB-OE2 3.24Å; S179-E181 WeakPolarHBondContact CB-OE2 3.46Å; S179-E181 PolarHBondContact OG-N 2.9Å; S179-E181 PolarHBondContact OG-OE2 3.35Å; E181-V183 PolarHBondContact O-N 2.8Å |
| 182 | E | 94.7 | Very high | 93.9 | Very high | 59 Ų | 59 | 26.3 Ų | 26.3 | 28% | 0.276 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -75.6 | 62.6 | 175.5 | -75.5 | -164.9 | 133.7 | 0 | 0 | 112.2 | Y100 T178 S179 | Y100-E182 HydrophobicContact CD2-CB 4Å; Y100-E182 HydrophobicContact CD2-CG 3.84Å; Y100-E182 WeakPolarHBondContact CD2-OE1 3.24Å; Y100-E182 HydrophobicContact CE2-CB 3.6Å; Y100-E182 HydrophobicContact CE2-CG 4Å; Y100-E182 HydrophobicContact CG-CG 4.24Å; Y100-E182 VanDerWaalsContact CZ-C 3.47Å; Y100-E182 PolarHBondContact OH-O 3.2Å; T178-E182 PolarHBondContact OG1-OE2 3.39Å; S179-E182 PolarHBondContact OG-N 3.32Å |
| 183 | V | 97.2 | Very high | 94 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | P | Polyproline II helix | trans | -86.3 | 128 | -174.5 | -66.4 | 0 | 0 | 0 | 0 | 115.2 | Y100 G102 A148 N151 V152 L174 Q180 E181 | Y100-V183 PolarHBondContact OH-N 3.02Å; Y100-V183 PolarHBondContact OH-O 3.43Å; G102-V183 WeakPolarHBondContact CA-O 3.27Å; A148-V183 HydrophobicContact CB-CG1 4.36Å; A148-V183 HydrophobicContact CB-CG2 4Å; N151-V183 HydrophobicContact CB-CG2 4.34Å; V152-V183 HydrophobicContact CG2-CG2 3.91Å; L174-V183 HydrophobicContact CB-CB 4.09Å; L174-V183 HydrophobicContact CB-CG1 4.28Å; L174-V183 HydrophobicContact CD2-CB 4.08Å; L174-V183 HydrophobicContact CD2-CG2 4.06Å; Q180-V183 VanDerWaalsContact O-CG1 3.26Å; Q180-V183 WeakPolarHBondContact O-CG1 3.35Å; E181-V183 PolarHBondContact O-N 2.8Å |
| 184 | Y | 97.9 | Very high | 94 | Very high | 42 Ų | 42 | 26.1 Ų | 26.1 | 17% | 0.165 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 133.1 | 175.6 | -66.6 | -96.7 | 0 | 0 | 0 | 111.7 | Y100 L101 G102 P104 F127 L174 L175 R177 | Y100-Y184 HydrophobicContact CE2-CD2 4.24Å; Y100-Y184 HydrophobicContact CE2-CE1 4.18Å; Y100-Y184 AromaticContact CE2-CE2 3.54Å; Y100-Y184 HydrophobicContact CE2-CE2 3.54Å; Y100-Y184 AromaticContact CE2-CZ 3.5Å; Y100-Y184 AromaticContact CZ-CE2 3.79Å; Y100-Y184 AromaticContact CZ-CZ 3.9Å; Y100-Y184 WeakPolarHBondContact OH-CD2 3.4Å; Y100-Y184 WeakPolarHBondContact OH-CE2 3.46Å; Y100-Y184 VanDerWaalsContact OH-CG 3.27Å; Y100-Y184 PolarHBondContact OH-N 2.96Å; L101-Y184 WeakPolarHBondContact O-CE1 3.37Å; G102-Y184 WeakPolarHBondContact O-CA 3.29Å; P104-Y184 HydrophobicContact CG-CD1 4.34Å; F127-Y184 AromaticContact CD1-CD2 3.98Å; F127-Y184 HydrophobicContact CD1-CD2 3.98Å; F127-Y184 HydrophobicContact CD1-CE2 4.4Å; F127-Y184 HydrophobicContact CD1-CG 4.46Å; F127-Y184 HydrophobicContact CE1-CD1 4.08Å; F127-Y184 AromaticContact CE1-CD2 3.31Å; F127-Y184 HydrophobicContact CE1-CD2 3.31Å; F127-Y184 HydrophobicContact CE1-CE1 4.4Å; F127-Y184 AromaticContact CE1-CE2 3.67Å; F127-Y184 HydrophobicContact CE1-CE2 3.67Å; F127-Y184 AromaticContact CE1-CG 3.53Å; F127-Y184 HydrophobicContact CE1-CG 3.53Å; F127-Y184 HydrophobicContact CZ-CD1 4.19Å; F127-Y184 HydrophobicContact CZ-CD2 4.17Å; F127-Y184 AromaticContact CZ-CG 3.92Å; F127-Y184 HydrophobicContact CZ-CG 3.92Å; L174-Y184 WeakPolarHBondContact CA-O 3.37Å; L175-Y184 PolarHBondContact N-O 3.5Å; L175-Y184 WeakPolarHBondContact O-CB 3.29Å; L175-Y184 WeakPolarHBondContact O-CD2 3.43Å; L175-Y184 PolarHBondContact O-N 3.01Å; R177-Y184 HydrophobicContact CB-CE2 4.4Å |
| 185 | L | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 139.7 | 174.4 | -70.9 | 166.1 | 0 | 0 | 0 | 112 | G102 I103 P104 V152 A155 L156 M159 I169 L174 F188 | G102-L185 PolarHBondContact O-N 3.5Å; I103-L185 HydrophobicContact CD1-CD1 4.38Å; P104-L185 WeakPolarHBondContact CD-O 3.4Å; P104-L185 VanDerWaalsContact CG-O 3.31Å; P104-L185 WeakPolarHBondContact CG-O 3.49Å; V152-L185 HydrophobicContact CG1-CD2 4.41Å; A155-L185 HydrophobicContact CB-CD1 3.57Å; A155-L185 HydrophobicContact CB-CG 4.27Å; L156-L185 HydrophobicContact CD2-CD1 4.2Å; M159-L185 HydrophobicContact SD-CD1 3.88Å; I169-L185 HydrophobicContact CG1-CD2 4.37Å; I169-L185 HydrophobicContact CG2-CD2 4.2Å; L174-L185 HydrophobicContact CD2-CD2 3.55Å; L174-L185 HydrophobicContact CD2-CG 4.13Å; L185-F188 HydrophobicContact CB-CE1 4Å; L185-F188 HydrophobicContact CB-CZ 3.76Å; L185-F188 WeakPolarHBondContact O-CE2 3.45Å; L185-F188 VanDerWaalsContact O-CZ 3.23Å; L185-F188 WeakPolarHBondContact O-CZ 3.28Å |
| 186 | A | 94.9 | Very high | 93.7 | Very high | 9 Ų | 9 | 28.9 Ų | 28.9 | 7% | 0.074 | 15% | 0.146 | C | C | . | . | trans | -145.6 | 169.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | H166 N173 L175 | H166-A186 PolarHBondContact CE1-O 3.08Å; H166-A186 VanDerWaalsContact CE1-O 3.29Å; H166-A186 PolarHBondContact NE2-O 3.41Å; N173-A186 WeakPolarHBondContact CB-O 3.39Å; N173-A186 PolarHBondContact O-N 3.29Å; L175-A186 HydrophobicContact CD1-CB 3.7Å; L175-A186 HydrophobicContact CG-CB 3.88Å | ||
| 187 | D | 93.2 | Very high | 93.7 | Very high | 28 Ų | 28 | 37.1 Ų | 37.1 | 15% | 0.15 | 18% | 0.182 | C | C | . | . | trans | 53.9 | 66.3 | -168.7 | -170.6 | 13.2 | 0 | 0 | 0 | 112.8 | K64 E76 H166 G189 R511 | K64-D187 IonicContact NZ-OD1 3.11Å; E76-D187 WeakPolarHBondContact OE1-CA 3.22Å; H166-D187 PolarHBondContact CE1-O 3.04Å; D187-G189 PolarHBondContact O-N 3.37Å; D187-G189 PolarHBondContact OD1-N 2.99Å; D187-R511 IonicContact OD1-CZ 2.68Å; D187-R511 IonicContact OD1-NH2 2.71Å; D187-R511 PolarHBondContact OD1-NH2 3.07Å; D187-R511 IonicContact OD2-CZ 3.41Å; D187-R511 IonicContact OD2-NE 3.55Å; D187-R511 PolarHBondContact OD2-NE 3.05Å; D187-R511 IonicContact OD2-NH1 3.25Å; D187-R511 IonicContact OD2-NH2 2.7Å; D187-R511 PolarHBondContact OD2-NH2 2.76Å | ||
| 188 | F | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -72.8 | 18.1 | 172.1 | -57.5 | -77.7 | 0 | 0 | 0 | 112.2 | E76 F79 Y80 M159 H166 L185 L190 V191 | E76-F188 HydrophobicContact CB-CB 4.14Å; E76-F188 HydrophobicContact CG-CB 3.99Å; E76-F188 PolarHBondContact OE1-N 3.41Å; F79-F188 HydrophobicContact CD1-CB 3.89Å; F79-F188 AromaticContact CD1-CD1 3.82Å; F79-F188 HydrophobicContact CD1-CD1 3.82Å; F79-F188 AromaticContact CD1-CD2 3.87Å; F79-F188 HydrophobicContact CD1-CD2 3.87Å; F79-F188 HydrophobicContact CD1-CE1 4.33Å; F79-F188 HydrophobicContact CD1-CE2 4.36Å; F79-F188 AromaticContact CD1-CG 3.57Å; F79-F188 HydrophobicContact CD1-CG 3.57Å; F79-F188 HydrophobicContact CE1-CB 4.41Å; F79-F188 AromaticContact CE1-CD1 3.48Å; F79-F188 HydrophobicContact CE1-CD1 3.48Å; F79-F188 VanDerWaalsContact CE1-CD1 3.48Å; F79-F188 AromaticContact CE1-CD2 3.77Å; F79-F188 HydrophobicContact CE1-CD2 3.77Å; F79-F188 AromaticContact CE1-CE1 3.53Å; F79-F188 HydrophobicContact CE1-CE1 3.53Å; F79-F188 AromaticContact CE1-CE2 3.81Å; F79-F188 HydrophobicContact CE1-CE2 3.81Å; F79-F188 AromaticContact CE1-CG 3.61Å; F79-F188 HydrophobicContact CE1-CG 3.61Å; F79-F188 AromaticContact CE1-CZ 3.69Å; F79-F188 HydrophobicContact CE1-CZ 3.69Å; F79-F188 HydrophobicContact CZ-CD1 4.1Å; F79-F188 AromaticContact CZ-CE1 3.96Å; F79-F188 HydrophobicContact CZ-CE1 3.96Å; F79-F188 HydrophobicContact CZ-CZ 4.35Å; Y80-F188 HydrophobicContact CD2-CD2 4.46Å; Y80-F188 HydrophobicContact CE1-CE2 4.36Å; Y80-F188 AromaticContact CE2-CD2 3.67Å; Y80-F188 HydrophobicContact CE2-CD2 3.67Å; Y80-F188 HydrophobicContact CE2-CE2 4.14Å; Y80-F188 AromaticContact CZ-CD2 3.78Å; Y80-F188 AromaticContact CZ-CE2 3.74Å; Y80-F188 WeakPolarHBondContact OH-CE2 3.44Å; M159-F188 HydrophobicContact CE-CD1 3.82Å; M159-F188 HydrophobicContact CE-CE1 3.7Å; M159-F188 HydrophobicContact SD-CD1 4.45Å; M159-F188 HydrophobicContact SD-CE1 3.72Å; H166-F188 AromaticContact CD2-CD1 3.89Å; H166-F188 AromaticContact CD2-CE1 3.63Å; H166-F188 AromaticContact NE2-CD1 3.91Å; H166-F188 AromaticContact NE2-CE1 3.77Å; L185-F188 HydrophobicContact CB-CE1 4Å; L185-F188 HydrophobicContact CB-CZ 3.76Å; L185-F188 WeakPolarHBondContact O-CE2 3.45Å; L185-F188 VanDerWaalsContact O-CZ 3.23Å; L185-F188 WeakPolarHBondContact O-CZ 3.28Å; F188-L190 PolarHBondContact O-N 2.9Å; F188-V191 HydrophobicContact CB-CB 3.97Å; F188-V191 HydrophobicContact CB-CG1 3.97Å; F188-V191 HydrophobicContact CD1-CG2 4.39Å; F188-V191 VanDerWaalsContact O-CB 3.3Å; F188-V191 WeakPolarHBondContact O-CB 3.4Å; F188-V191 WeakPolarHBondContact O-CG1 3.15Å; F188-V191 PolarHBondContact O-N 2.75Å |
| 189 | G | 92.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -65.3 | -7.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | D187 Q594 | D187-G189 PolarHBondContact O-N 3.37Å; D187-G189 PolarHBondContact OD1-N 2.99Å; G189-Q594 PolarHBondContact O-NE2 3.29Å |
| 190 | L | 93.9 | Very high | 94.7 | Very high | 8 Ų | 8 | 35 Ų | 35 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -111.9 | 3.2 | 167.8 | -54.2 | -166 | 0 | 0 | 0 | 113.9 | A167 D168 F188 H192 Q594 | A167-L190 HydrophobicContact CB-CB 4.13Å; D168-L190 HydrophobicContact CB-CD1 3.95Å; D168-L190 HydrophobicContact CB-CG 4.34Å; F188-L190 PolarHBondContact O-N 2.9Å; L190-H192 PolarHBondContact O-N 2.99Å; L190-Q594 VanDerWaalsContact CD2-NE2 3.3Å |
| 191 | V | 96.2 | Very high | 95 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | trans | -61.9 | 128.8 | -168 | 76.9 | 0 | 0 | 0 | 0 | 111.4 | T75 F79 M159 Y164 A165 F188 | T75-V191 HydrophobicContact CG2-CG1 4.03Å; T75-V191 VanDerWaalsContact CG2-O 3.31Å; T75-V191 WeakPolarHBondContact CG2-O 3.2Å; F79-V191 HydrophobicContact CB-CG1 3.53Å; F79-V191 HydrophobicContact CD2-CG1 4.39Å; F79-V191 HydrophobicContact CD2-CG2 4.05Å; F79-V191 HydrophobicContact CE2-CG2 4.42Å; F79-V191 HydrophobicContact CG-CG1 3.94Å; F79-V191 HydrophobicContact CG-CG2 4.26Å; M159-V191 HydrophobicContact CE-CG2 3.66Å; Y164-V191 HydrophobicContact CD1-CG1 4.4Å; Y164-V191 HydrophobicContact CD1-CG2 3.9Å; Y164-V191 HydrophobicContact CG-CG2 4.3Å; A165-V191 CarbonylContact O-C 3.52Å; A165-V191 VanDerWaalsContact O-CA 3.31Å; A165-V191 WeakPolarHBondContact O-CA 3.25Å; A165-V191 WeakPolarHBondContact O-CG2 3.39Å; F188-V191 HydrophobicContact CB-CB 3.97Å; F188-V191 HydrophobicContact CB-CG1 3.97Å; F188-V191 HydrophobicContact CD1-CG2 4.39Å; F188-V191 VanDerWaalsContact O-CB 3.3Å; F188-V191 WeakPolarHBondContact O-CB 3.4Å; F188-V191 WeakPolarHBondContact O-CG1 3.15Å; F188-V191 PolarHBondContact O-N 2.75Å | ||
| 192 | H | 96.4 | Very high | 95.3 | Very high | 11 Ų | 11 | 36.3 Ų | 36.3 | 5% | 0.051 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 126.1 | -174.3 | -164.5 | 58.2 | 0 | 0 | 0 | 110.7 | Y164 A165 L190 F194 F209 P228 | Y164-H192 CarbonylContact C-O 3.44Å; Y164-H192 WeakPolarHBondContact CA-O 3.43Å; A165-H192 PolarHBondContact N-O 3.46Å; A165-H192 PolarHBondContact O-N 3.02Å; L190-H192 PolarHBondContact O-N 2.99Å; H192-F194 VanDerWaalsContact C-N 3.33Å; H192-F194 PolarHBondContact O-N 2.68Å; H192-F209 AromaticContact CE1-CZ 3.73Å; H192-P228 HydrophobicContact CB-CB 3.92Å; H192-P228 HydrophobicContact CB-CG 3.88Å |
| 193 | L | 96.7 | Very high | 95.4 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 89.3 | 167.6 | -178 | 79.2 | 0 | 0 | 0 | 107.7 | D163 Y164 R195 S596 E598 | D163-L193 HydrophobicContact CB-CD1 3.62Å; D163-L193 CarbonylContact O-C 3.58Å; D163-L193 WeakPolarHBondContact O-CA 3.38Å; Y164-L193 HydrophobicContact CD1-CB 4.04Å; Y164-L193 HydrophobicContact CD1-CD1 4.26Å; Y164-L193 HydrophobicContact CD2-CD1 4.17Å; Y164-L193 HydrophobicContact CE1-CB 3.7Å; Y164-L193 HydrophobicContact CE1-CD1 3.92Å; Y164-L193 HydrophobicContact CE1-CG 4.42Å; Y164-L193 HydrophobicContact CE2-CD1 3.78Å; Y164-L193 HydrophobicContact CG-CD1 4.38Å; L193-R195 VanDerWaalsContact C-N 3.29Å; L193-R195 WeakPolarHBondContact CD1-O 3.46Å; L193-R195 VanDerWaalsContact CG-O 3.26Å; L193-R195 WeakPolarHBondContact CG-O 3.34Å; L193-R195 PolarHBondContact O-N 2.83Å; L193-S596 WeakPolarHBondContact CD2-OG 3.45Å; L193-E598 WeakPolarHBondContact CD2-OE2 3.32Å |
| 194 | F | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -76 | -18.3 | -173.3 | 72.6 | -94.9 | 0 | 0 | 0 | 112.5 | H160 D163 A165 H192 H200 T201 P228 R230 | H160-F194 HydrophobicContact CB-CE1 4.46Å; H160-F194 AromaticContact CD2-CE1 3.74Å; D163-F194 WeakPolarHBondContact O-CD1 3.45Å; D163-F194 WeakPolarHBondContact O-CE1 3.47Å; D163-F194 PolarHBondContact O-N 3.08Å; A165-F194 HydrophobicContact CB-CD1 3.94Å; H192-F194 VanDerWaalsContact C-N 3.33Å; H192-F194 PolarHBondContact O-N 2.68Å; F194-H200 AromaticContact CD2-CD2 3.57Å; F194-H200 AromaticContact CD2-CE1 3.98Å; F194-H200 AromaticContact CD2-NE2 3.3Å; F194-H200 VanDerWaalsContact CD2-NE2 3.3Å; F194-H200 WeakPolarHBondContact CD2-NE2 3.35Å; F194-H200 AromaticContact CE2-CD2 3.78Å; F194-H200 AromaticContact CE2-NE2 3.68Å; F194-T201 VanDerWaalsContact O-CB 3.31Å; F194-T201 WeakPolarHBondContact O-CB 3.49Å; F194-T201 PolarHBondContact O-N 3.06Å; F194-T201 PolarHBondContact O-OG1 3.36Å; F194-P228 WeakPolarHBondContact CB-O 3.36Å; F194-R230 HydrophobicContact CE1-CG 4.18Å; F194-R230 HydrophobicContact CE2-CG 4.32Å; F194-R230 HydrophobicContact CZ-CG 3.86Å | ||
| 195 | R | 95.9 | Very high | 95.2 | Very high | 45 Ų | 45 | 47 Ų | 47 | 17% | 0.17 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 138.5 | 177.7 | -178 | 168 | 61.7 | -137.2 | -10.2 | 109.6 | H160 D163 L193 G198 V199 | H160-R195 PolarHBondContact O-NH2 3.42Å; D163-R195 HydrophobicContact CB-CB 4Å; D163-R195 VanDerWaalsContact CB-O 3.29Å; D163-R195 WeakPolarHBondContact CB-O 3.34Å; D163-R195 IonicContact OD1-CZ 3.67Å; D163-R195 IonicContact OD1-NE 2.82Å; D163-R195 PolarHBondContact OD1-NE 2.82Å; D163-R195 IonicContact OD1-NH2 3.58Å; D163-R195 PolarHBondContact OD1-NH2 3.19Å; L193-R195 VanDerWaalsContact C-N 3.29Å; L193-R195 WeakPolarHBondContact CD1-O 3.46Å; L193-R195 VanDerWaalsContact CG-O 3.26Å; L193-R195 WeakPolarHBondContact CG-O 3.34Å; L193-R195 PolarHBondContact O-N 2.83Å; R195-G198 WeakPolarHBondContact CD-O 3.45Å; R195-G198 WeakPolarHBondContact CG-O 3.21Å; R195-V199 CarbonylContact C-O 3.55Å; R195-V199 WeakPolarHBondContact CA-O 3.39Å |
| 196 | S | 93.4 | Very high | 95 | Very high | 38 Ų | 38 | 49.5 Ų | 49.5 | 27% | 0.266 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 127.1 | 176.6 | 167.4 | 0 | 0 | 0 | 0 | 108.7 | G198 V199 E598 | S196-G198 PolarHBondContact O-N 3.26Å; S196-V199 PolarHBondContact N-O 3.25Å; S196-V199 WeakPolarHBondContact O-CB 3.33Å; S196-V199 PolarHBondContact O-N 3.06Å; S196-E598 PolarHBondContact OG-OE1 3.23Å |
| 197 | K | 92.5 | Very high | 94.9 | Very high | 193 Ų | 193 | 53.8 Ų | 53.8 | 84% | 0.839 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 41.8 | -176.7 | -53.3 | -178.9 | -178.4 | -174.7 | 0 | 112.5 | V199 | K197-V199 PolarHBondContact O-N 3.38Å; K197-V199 VanDerWaalsContact O-N 3.17Å |
| 198 | G | 91.7 | Very high | 94.7 | Very high | 60 Ų | 60 | 58.5 Ų | 58.5 | 62% | 0.619 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | -21.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R195 S196 H200 | R195-G198 WeakPolarHBondContact CD-O 3.45Å; R195-G198 WeakPolarHBondContact CG-O 3.21Å; S196-G198 PolarHBondContact O-N 3.26Å; G198-H200 PolarHBondContact O-N 2.9Å |
| 199 | V | 96.2 | Very high | 94.6 | Very high | 106 Ų | 106 | 59.2 Ų | 59.2 | 64% | 0.642 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 121.2 | -178.9 | -176.1 | 0 | 0 | 0 | 0 | 110.4 | R195 S196 K197 | R195-V199 CarbonylContact C-O 3.55Å; R195-V199 WeakPolarHBondContact CA-O 3.39Å; S196-V199 PolarHBondContact N-O 3.25Å; S196-V199 WeakPolarHBondContact O-CB 3.33Å; S196-V199 PolarHBondContact O-N 3.06Å; K197-V199 PolarHBondContact O-N 3.38Å; K197-V199 VanDerWaalsContact O-N 3.17Å |
| 200 | H | 97.1 | Very high | 94.6 | Very high | 33 Ų | 33 | 65 Ų | 65 | 15% | 0.153 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 144 | 173.3 | -154.7 | -85.7 | 0 | 0 | 0 | 110.6 | F194 G198 A202 R230 Y321 T322 | F194-H200 AromaticContact CD2-CD2 3.57Å; F194-H200 AromaticContact CD2-CE1 3.98Å; F194-H200 AromaticContact CD2-NE2 3.3Å; F194-H200 VanDerWaalsContact CD2-NE2 3.3Å; F194-H200 WeakPolarHBondContact CD2-NE2 3.35Å; F194-H200 AromaticContact CE2-CD2 3.78Å; F194-H200 AromaticContact CE2-NE2 3.68Å; G198-H200 PolarHBondContact O-N 2.9Å; H200-A202 PolarHBondContact O-N 3.49Å; H200-R230 PolarHBondContact CD2-NH2 3.33Å; H200-R230 PolarHBondContact NE2-NH2 3.1Å; H200-R230 VanDerWaalsContact NE2-NH2 3.15Å; H200-Y321 AromaticContact CE1-CD1 3.94Å; H200-Y321 AromaticContact CE1-CE1 3.86Å; H200-Y321 PolarHBondContact CE1-O 2.73Å; H200-Y321 AromaticContact ND1-CE1 3.9Å; H200-Y321 PolarHBondContact NE2-O 3.42Å; H200-T322 HydrophobicContact CB-CG2 4.19Å |
| 201 | T | 95.2 | Very high | 94.6 | Very high | 47 Ų | 47 | 65.8 Ų | 65.8 | 29% | 0.288 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 138.6 | 169.1 | -58.3 | 0 | 0 | 0 | 0 | 108.7 | F194 P227 Y321 | F194-T201 VanDerWaalsContact O-CB 3.31Å; F194-T201 WeakPolarHBondContact O-CB 3.49Å; F194-T201 PolarHBondContact O-N 3.06Å; F194-T201 PolarHBondContact O-OG1 3.36Å; T201-P227 HydrophobicContact CG2-CB 4.07Å; T201-P227 HydrophobicContact CG2-CG 3.67Å; T201-Y321 VanDerWaalsContact O-CE1 3.32Å; T201-Y321 WeakPolarHBondContact O-CE1 3.43Å |
| 202 | A | 95.6 | Very high | 94.3 | Very high | 69 Ų | 69 | 66.8 Ų | 66.8 | 57% | 0.57 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 149.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | H200 K204 | H200-A202 PolarHBondContact O-N 3.49Å; A202-K204 PolarHBondContact O-N 3.07Å |
| 203 | E | 96.7 | Very high | 94.2 | Very high | 109 Ų | 109 | 66.6 Ų | 66.6 | 51% | 0.509 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -75.2 | 70.1 | 173.3 | -164.2 | 168.2 | -172.1 | 0 | 0 | 110.3 | L226 R231 Y321 | E203-L226 HydrophobicContact CG-CD1 3.81Å; E203-L226 HydrophobicContact CG-CD2 3.8Å; E203-L226 HydrophobicContact CG-CG 4.47Å; E203-R231 IonicContact OE1-CZ 3.82Å; E203-R231 IonicContact OE1-NH1 2.96Å; E203-R231 IonicContact OE1-NH2 3.58Å; E203-R231 PolarHBondContact OE1-NH2 3.04Å; E203-Y321 HydrophobicContact CB-CD1 3.53Å; E203-Y321 HydrophobicContact CB-CE1 3.9Å; E203-Y321 HydrophobicContact CB-CG 3.98Å; E203-Y321 HydrophobicContact CG-CD1 3.85Å; E203-Y321 HydrophobicContact CG-CD2 4.17Å; E203-Y321 HydrophobicContact CG-CE1 4.32Å; E203-Y321 HydrophobicContact CG-CG 3.75Å; E203-Y321 VanDerWaalsContact OE2-CB 3.24Å; E203-Y321 WeakPolarHBondContact OE2-CB 3.28Å |
| 204 | K | 96.3 | Very high | 94 | Very high | 160 Ų | 160 | 67.2 Ų | 67.2 | 70% | 0.696 | 37% | 0.365 | S | S | * | . | trans | -129.3 | 122.8 | -177.6 | -176.8 | 170.6 | -178 | 170.6 | 0 | 111.1 | A202 | A202-K204 PolarHBondContact O-N 3.07Š| ||
| 205 | A | 96 | Very high | 93.9 | Very high | 55 Ų | 55 | 68.2 Ų | 68.2 | 46% | 0.455 | 37% | 0.371 | S | S | . | . | trans | -65.9 | 136 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | G225 | A205-G225 CarbonylContact C-O 3.6Å; A205-G225 VanDerWaalsContact CA-O 3.32Å; A205-G225 WeakPolarHBondContact CA-O 3.48Å | ||
| 206 | D | 92.9 | Very high | 93.9 | Very high | 54 Ų | 54 | 66.5 Ų | 66.5 | 29% | 0.289 | 37% | 0.365 | S | S | . | . | trans | -133.3 | 125.9 | 173.9 | -175.1 | -39.1 | 0 | 0 | 0 | 108.3 | K208 F209 G225 | D206-K208 HydrophobicContact CB-CD 4.48Å; D206-K208 HydrophobicContact CB-CG 4.29Å; D206-K208 PolarHBondContact O-N 3.49Å; D206-K208 WeakPolarHBondContact OD1-CB 3.47Å; D206-K208 WeakPolarHBondContact OD1-CD 3.25Å; D206-K208 VanDerWaalsContact OD1-CG 3.26Å; D206-K208 WeakPolarHBondContact OD1-CG 3.38Å; D206-K208 PolarHBondContact OD1-N 2.84Å; D206-K208 WeakPolarHBondContact OD2-CD 3.44Å; D206-K208 WeakPolarHBondContact OD2-CE 3.41Å; D206-K208 IonicContact OD2-NZ 2.68Å; D206-K208 PolarHBondContact OD2-NZ 3.39Å; D206-F209 HydrophobicContact CB-CD2 3.99Å; D206-F209 HydrophobicContact CB-CE2 4.42Å; D206-F209 PolarHBondContact O-N 2.76Å; D206-G225 PolarHBondContact N-O 3.26Å; D206-G225 VanDerWaalsContact O-O 3.13Å | ||
| 207 | P | 92 | Very high | 94.1 | Very high | 99 Ų | 99 | 65.1 Ų | 65.1 | 64% | 0.643 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -52.1 | -23.2 | 179.5 | -29.1 | 36.3 | 0 | 0 | 0 | 115.2 | F209 R210 | P207-F209 PolarHBondContact O-N 2.83Å; P207-R210 PolarHBondContact O-N 3.41Å |
| 208 | K | 88.3 | Confident | 94.3 | Very high | 127 Ų | 127 | 56 Ų | 56 | 55% | 0.552 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -65.8 | -19 | 175.9 | 82.6 | -163.2 | 175.2 | -144.3 | 0 | 114.2 | D206 N212 | D206-K208 HydrophobicContact CB-CD 4.48Å; D206-K208 HydrophobicContact CB-CG 4.29Å; D206-K208 PolarHBondContact O-N 3.49Å; D206-K208 WeakPolarHBondContact OD1-CB 3.47Å; D206-K208 WeakPolarHBondContact OD1-CD 3.25Å; D206-K208 VanDerWaalsContact OD1-CG 3.26Å; D206-K208 WeakPolarHBondContact OD1-CG 3.38Å; D206-K208 PolarHBondContact OD1-N 2.84Å; D206-K208 WeakPolarHBondContact OD2-CD 3.44Å; D206-K208 WeakPolarHBondContact OD2-CE 3.41Å; D206-K208 IonicContact OD2-NZ 2.68Å; D206-K208 PolarHBondContact OD2-NZ 3.39Å; K208-N212 PolarHBondContact O-ND2 3.08Å |
| 209 | F | 93.2 | Very high | 94.6 | Very high | 14 Ų | 14 | 53.3 Ų | 53.3 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -98.8 | -14.2 | 177.7 | -63.3 | -57.6 | 0 | 0 | 0 | 113.5 | H192 D206 P207 H211 N212 A222 L226 P227 | H192-F209 AromaticContact CE1-CZ 3.73Å; D206-F209 HydrophobicContact CB-CD2 3.99Å; D206-F209 HydrophobicContact CB-CE2 4.42Å; D206-F209 PolarHBondContact O-N 2.76Å; P207-F209 PolarHBondContact O-N 2.83Å; F209-H211 PolarHBondContact O-N 2.84Å; F209-N212 WeakPolarHBondContact CA-ND2 3.42Å; F209-N212 VanDerWaalsContact O-CB 3.32Å; F209-N212 WeakPolarHBondContact O-CB 3.14Å; F209-N212 PolarHBondContact O-N 2.91Å; F209-A222 VanDerWaalsContact O-O 3.12Å; F209-L226 WeakPolarHBondContact CB-O 3.41Å; F209-P227 HydrophobicContact CD2-CB 4.01Å; F209-P227 HydrophobicContact CD2-CG 4.01Å; F209-P227 HydrophobicContact CE2-CB 3.52Å; F209-P227 HydrophobicContact CE2-CG 3.59Å; F209-P227 HydrophobicContact CZ-CB 3.82Å; F209-P227 HydrophobicContact CZ-CG 4.35Å |
| 210 | R | 93.9 | Very high | 94.7 | Very high | 123 Ų | 123 | 50.7 Ų | 50.7 | 46% | 0.464 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 121.6 | -173.5 | 178.7 | 157 | -65 | 146.7 | 5.2 | 111.8 | P207 N212 A222 N224 | P207-R210 PolarHBondContact O-N 3.41Å; R210-N212 VanDerWaalsContact C-N 3.27Å; R210-N212 PolarHBondContact O-N 3.22Å; R210-A222 CarbonylContact C-O 3.6Å; R210-A222 WeakPolarHBondContact CA-O 3.43Å; R210-N224 PolarHBondContact NE-O 3.41Å; R210-N224 PolarHBondContact NH2-O 2.95Å |
| 211 | H | 93.2 | Very high | 94.8 | Very high | 24 Ų | 24 | 49.6 Ų | 49.6 | 11% | 0.111 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 36.1 | -174.3 | -43.6 | -58.9 | 0 | 0 | 0 | 113.7 | F209 A222 H223 K280 | F209-H211 PolarHBondContact O-N 2.84Å; H211-A222 PolarHBondContact N-O 3.38Å; H211-H223 AromaticContact CE1-ND1 3.62Å; H211-H223 AromaticContact ND1-CE1 4Å; H211-H223 AromaticContact ND1-CG 3.68Å; H211-H223 AromaticContact ND1-ND1 3.06Å; H211-H223 PolarHBondContact ND1-ND1 3.29Å; H211-K280 HydrophobicContact CB-CD 3.72Å; H211-K280 VanDerWaalsContact CD2-CD 3.42Å; H211-K280 WeakPolarHBondContact CD2-CD 3.33Å |
| 212 | N | 91.3 | Very high | 94.9 | Very high | 24 Ų | 24 | 48 Ų | 48 | 13% | 0.128 | 25% | 0.251 | C | S | . | . | trans | -73.2 | 154.6 | 167.5 | -86.8 | -18.1 | 0 | 0 | 0 | 112.4 | K208 F209 R210 C218 A222 R509 | K208-N212 PolarHBondContact O-ND2 3.08Å; F209-N212 WeakPolarHBondContact CA-ND2 3.42Å; F209-N212 VanDerWaalsContact O-CB 3.32Å; F209-N212 WeakPolarHBondContact O-CB 3.14Å; F209-N212 PolarHBondContact O-N 2.91Å; R210-N212 VanDerWaalsContact C-N 3.27Å; R210-N212 PolarHBondContact O-N 3.22Å; N212-C218 WeakPolarHBondContact O-CB 3.32Å; N212-A222 WeakPolarHBondContact O-CB 3.41Å; N212-R509 VanDerWaalsContact OD1-CZ 3.28Å; N212-R509 PolarHBondContact OD1-NH1 2.9Å; N212-R509 PolarHBondContact OD1-NH2 3.45Å | ||
| 213 | G | 92.6 | Very high | 95 | Very high | 6 Ų | 6 | 44.9 Ų | 44.9 | 6% | 0.062 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 93.8 | -167.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 214 | T | 93.5 | Very high | 95 | Very high | 25 Ų | 25 | 44 Ų | 44 | 15% | 0.153 | 22% | 0.224 | C | C | . | . | trans | -91.2 | 128 | 174.7 | -58 | 0 | 0 | 0 | 0 | 109.1 | D168 K170 E216 F217 C218 | D168-T214 WeakPolarHBondContact OD1-CB 3.4Å; D168-T214 PolarHBondContact OD1-N 3Å; D168-T214 PolarHBondContact OD1-OG1 3.45Å; K170-T214 HydrophobicContact CD-CG2 4.36Å; K170-T214 WeakPolarHBondContact CD-OG1 3.49Å; K170-T214 PolarHBondContact NZ-OG1 3.42Å; T214-E216 VanDerWaalsContact CG2-CD 3.47Å; T214-E216 HydrophobicContact CG2-CG 3.98Å; T214-E216 VanDerWaalsContact CG2-OE1 3.22Å; T214-E216 WeakPolarHBondContact CG2-OE1 3.13Å; T214-E216 PolarHBondContact O-N 3.39Å; T214-F217 HydrophobicContact CG2-CD2 4.12Å; T214-F217 HydrophobicContact CG2-CE2 4.47Å; T214-F217 CarbonylContact O-C 3.56Å; T214-F217 PolarHBondContact O-N 3.37Å; T214-C218 PolarHBondContact O-N 3.25Å | ||
| 215 | I | 94.6 | Very high | 95 | Very high | 22 Ų | 22 | 36.4 Ų | 36.4 | 11% | 0.113 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -38.7 | -161.5 | -173.5 | 61.1 | 0 | 0 | 0 | 114.6 | F217 I266 V275 K280 V283 K287 | I215-F217 VanDerWaalsContact C-N 3.31Å; I215-F217 PolarHBondContact O-N 2.7Å; I215-I266 HydrophobicContact CG1-CG2 4.47Å; I215-I266 HydrophobicContact CG2-CD1 4.29Å; I215-I266 HydrophobicContact CG2-CG2 4.45Å; I215-V275 HydrophobicContact CG2-CG2 4.42Å; I215-K280 HydrophobicContact CD1-CB 4.3Å; I215-K280 HydrophobicContact CD1-CG 4.16Å; I215-V283 HydrophobicContact CD1-CG1 4.38Å; I215-V283 HydrophobicContact CG1-CG1 4.48Å; I215-K287 PolarHBondContact O-NZ 2.81Å |
| 216 | E | 95 | Very high | 95.1 | Very high | 9 Ų | 9 | 34.5 Ų | 34.5 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -39.9 | 173.4 | 44.8 | -89.2 | -155.5 | 0 | 0 | 112.5 | T214 L260 W262 I266 R272 K287 | T214-E216 VanDerWaalsContact CG2-CD 3.47Å; T214-E216 HydrophobicContact CG2-CG 3.98Å; T214-E216 VanDerWaalsContact CG2-OE1 3.22Å; T214-E216 WeakPolarHBondContact CG2-OE1 3.13Å; T214-E216 PolarHBondContact O-N 3.39Å; E216-L260 HydrophobicContact CB-CD1 3.95Å; E216-W262 PolarHBondContact O-NE1 3.25Å; E216-I266 HydrophobicContact CB-CD1 3.7Å; E216-R272 VanDerWaalsContact CD-NH2 3.33Å; E216-R272 IonicContact OE1-CZ 2.71Å; E216-R272 IonicContact OE1-NH1 2.68Å; E216-R272 IonicContact OE1-NH2 4Å; E216-R272 PolarHBondContact OE1-NH2 2.85Å; E216-R272 IonicContact OE2-CZ 3.96Å; E216-R272 IonicContact OE2-NH1 2.96Å; E216-R272 PolarHBondContact OE2-NH1 3.37Å; E216-R272 IonicContact OE2-NH2 3.42Å; E216-R272 PolarHBondContact OE2-NH2 2.96Å; E216-K287 VanDerWaalsContact O-CE 3.25Å; E216-K287 WeakPolarHBondContact O-CE 3.42Å; E216-K287 PolarHBondContact O-NZ 3.33Å |
| 217 | F | 97.8 | Very high | 95.2 | Very high | 8 Ų | 8 | 32.2 Ų | 32.2 | 4% | 0.035 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | -14.7 | -169.4 | -48.1 | -55 | 0 | 0 | 0 | 115.4 | K170 T214 I215 I236 Y239 H243 L260 | K170-F217 HydrophobicContact CB-CD2 3.77Å; K170-F217 HydrophobicContact CB-CE2 3.78Å; T214-F217 HydrophobicContact CG2-CD2 4.12Å; T214-F217 HydrophobicContact CG2-CE2 4.47Å; T214-F217 CarbonylContact O-C 3.56Å; T214-F217 PolarHBondContact O-N 3.37Å; I215-F217 VanDerWaalsContact C-N 3.31Å; I215-F217 PolarHBondContact O-N 2.7Å; F217-I236 HydrophobicContact CB-CG2 4.11Å; F217-I236 VanDerWaalsContact O-CG1 3.29Å; F217-I236 WeakPolarHBondContact O-CG1 3.43Å; F217-Y239 WeakPolarHBondContact O-CD2 3.29Å; F217-H243 HydrophobicContact CE1-CB 3.96Å; F217-H243 AromaticContact CE1-CD2 3.52Å; F217-H243 AromaticContact CE1-CG 3.73Å; F217-H243 AromaticContact CZ-CD2 3.41Å; F217-H243 VanDerWaalsContact CZ-CD2 3.41Å; F217-H243 WeakPolarHBondContact CZ-CD2 3.37Å; F217-H243 AromaticContact CZ-NE2 3.77Å; F217-L260 HydrophobicContact CD1-CD1 4.22Å; F217-L260 HydrophobicContact CE1-CD1 4.02Å |
| 218 | C | 97.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | trans | -62.7 | 141.5 | -175.9 | 58.9 | 0 | 0 | 0 | 0 | 113 | N212 T214 A222 H223 K287 | N212-C218 WeakPolarHBondContact O-CB 3.32Å; T214-C218 PolarHBondContact O-N 3.25Å; C218-A222 HydrophobicContact CB-CB 4.29Å; C218-H223 PolarHBondContact SG-NE2 2.89Å; C218-K287 PolarHBondContact O-NZ 2.85Å | ||
| 219 | S | 98.4 | Very high | 96 | Very high | 4 Ų | 4 | 22.2 Ų | 22.2 | 3% | 0.028 | 11% | 0.109 | C | C | . | . | trans | -67 | 160.4 | -177.6 | 60.5 | 0 | 0 | 0 | 0 | 113.4 | D221 A222 H223 E235 | S219-D221 PolarHBondContact O-N 3.41Å; S219-A222 WeakPolarHBondContact O-CA 3.45Å; S219-A222 WeakPolarHBondContact O-CB 3.43Å; S219-A222 PolarHBondContact O-N 3.33Å; S219-A222 PolarHBondContact OG-N 2.79Å; S219-H223 PolarHBondContact O-CD2 2.88Å; S219-H223 VanDerWaalsContact O-CD2 3.28Å; S219-H223 PolarHBondContact O-N 3.16Å; S219-E235 WeakPolarHBondContact CA-OE1 3.46Å; S219-E235 WeakPolarHBondContact CB-OE1 3.49Å | ||
| 220 | R | 98.2 | Very high | 96.3 | Very high | 51 Ų | 51 | 21.9 Ų | 21.9 | 19% | 0.192 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.4 | -36.7 | 171.5 | -63.6 | 177.4 | -66.7 | 148.1 | -1.5 | 111.4 | A222 H223 N224 E235 K287 E288 | R220-A222 PolarHBondContact O-N 3.06Å; R220-H223 PolarHBondContact O-N 2.94Å; R220-N224 WeakPolarHBondContact O-CB 3.44Å; R220-N224 PolarHBondContact O-N 2.89Å; R220-N224 PolarHBondContact O-ND2 2.91Å; R220-E235 WeakPolarHBondContact CB-OE1 3.27Å; R220-E235 WeakPolarHBondContact CG-OE1 3.23Å; R220-E235 IonicContact CZ-OE2 2.66Å; R220-E235 PolarHBondContact N-OE1 3.13Å; R220-E235 IonicContact NE-OE1 2.85Å; R220-E235 PolarHBondContact NE-OE1 2.81Å; R220-E235 IonicContact NE-OE2 2.67Å; R220-E235 PolarHBondContact NE-OE2 3.3Å; R220-E235 IonicContact NH2-OE2 2.76Å; R220-E235 PolarHBondContact NH2-OE2 2.91Å; R220-K287 HydrophobicContact CG-CB 3.97Å; R220-E288 VanDerWaalsContact CD-OE2 3.29Å; R220-E288 WeakPolarHBondContact CD-OE2 3.25Å; R220-E288 IonicContact CZ-OE2 2.68Å; R220-E288 IonicContact NE-OE2 3.54Å; R220-E288 IonicContact NH1-OE2 2.73Å; R220-E288 PolarHBondContact NH1-OE2 3.09Å |
| 221 | D | 98.2 | Very high | 96.5 | Very high | 10 Ų | 10 | 18.4 Ų | 18.4 | 5% | 0.053 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -52.8 | -51.4 | 169 | -77 | -10.8 | 0 | 0 | 0 | 111.2 | S219 N224 G225 L226 R231 | S219-D221 PolarHBondContact O-N 3.41Å; D221-N224 PolarHBondContact O-N 3.4Å; D221-G225 PolarHBondContact O-N 3.29Å; D221-L226 HydrophobicContact CB-CB 4.06Å; D221-L226 HydrophobicContact CB-CD1 4.25Å; D221-L226 PolarHBondContact O-N 2.85Å; D221-L226 WeakPolarHBondContact OD1-CD1 3.44Å; D221-R231 IonicContact OD1-CZ 3.81Å; D221-R231 IonicContact OD1-NE 3.25Å; D221-R231 PolarHBondContact OD1-NE 3.38Å; D221-R231 IonicContact OD1-NH2 3.93Å; D221-R231 PolarHBondContact OD1-NH2 2.81Å; D221-R231 WeakPolarHBondContact OD2-CG 3.35Å; D221-R231 IonicContact OD2-CZ 3.62Å; D221-R231 IonicContact OD2-NE 3.74Å; D221-R231 PolarHBondContact OD2-NE 3.33Å; D221-R231 IonicContact OD2-NH2 2.72Å |
| 222 | A | 97.4 | Very high | 96.7 | Very high | 12 Ų | 12 | 17.3 Ų | 17.3 | 10% | 0.099 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.1 | -37.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F209 R210 H211 N212 C218 S219 R220 N224 G225 | F209-A222 VanDerWaalsContact O-O 3.12Å; R210-A222 CarbonylContact C-O 3.6Å; R210-A222 WeakPolarHBondContact CA-O 3.43Å; H211-A222 PolarHBondContact N-O 3.38Å; N212-A222 WeakPolarHBondContact O-CB 3.41Å; C218-A222 HydrophobicContact CB-CB 4.29Å; S219-A222 WeakPolarHBondContact O-CA 3.45Å; S219-A222 WeakPolarHBondContact O-CB 3.43Å; S219-A222 PolarHBondContact O-N 3.33Å; S219-A222 PolarHBondContact OG-N 2.79Å; R220-A222 PolarHBondContact O-N 3.06Å; A222-N224 PolarHBondContact O-N 2.95Å; A222-G225 PolarHBondContact O-N 2.87Å |
| 223 | H | 97.8 | Very high | 97.1 | Very high | 4 Ų | 4 | 16.2 Ų | 16.2 | 2% | 0.019 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.2 | -43.1 | 173 | -79.9 | -89.8 | 0 | 0 | 0 | 112.2 | H211 C218 S219 R220 G225 K280 A284 K287 | H211-H223 AromaticContact CE1-ND1 3.62Å; H211-H223 AromaticContact ND1-CE1 4Å; H211-H223 AromaticContact ND1-CG 3.68Å; H211-H223 AromaticContact ND1-ND1 3.06Å; H211-H223 PolarHBondContact ND1-ND1 3.29Å; C218-H223 PolarHBondContact SG-NE2 2.89Å; S219-H223 PolarHBondContact O-CD2 2.88Å; S219-H223 VanDerWaalsContact O-CD2 3.28Å; S219-H223 PolarHBondContact O-N 3.16Å; R220-H223 PolarHBondContact O-N 2.94Å; H223-G225 PolarHBondContact O-N 3.45Å; H223-K280 PolarHBondContact CE1-O 2.91Å; H223-K280 PolarHBondContact ND1-O 3.29Å; H223-A284 HydrophobicContact CB-CB 3.74Å; H223-A284 WeakPolarHBondContact ND1-CB 3.4Å; H223-K287 PolarHBondContact NE2-NZ 2.95Å |
| 224 | N | 97 | Very high | 97.4 | Very high | 91 Ų | 91 | 16 Ų | 16 | 49% | 0.487 | 8% | 0.081 | S | C | . | . | H | α-helix | trans | -68.1 | -25.2 | 176.4 | -70.1 | -28.5 | 0 | 0 | 0 | 112.3 | R210 R220 D221 A222 | R210-N224 PolarHBondContact NE-O 3.41Å; R210-N224 PolarHBondContact NH2-O 2.95Å; R220-N224 WeakPolarHBondContact O-CB 3.44Å; R220-N224 PolarHBondContact O-N 2.89Å; R220-N224 PolarHBondContact O-ND2 2.91Å; D221-N224 PolarHBondContact O-N 3.4Å; A222-N224 PolarHBondContact O-N 2.95Å |
| 225 | G | 96.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93 | 23.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A205 D206 D221 A222 H223 | A205-G225 CarbonylContact C-O 3.6Å; A205-G225 VanDerWaalsContact CA-O 3.32Å; A205-G225 WeakPolarHBondContact CA-O 3.48Å; D206-G225 PolarHBondContact N-O 3.26Å; D206-G225 VanDerWaalsContact O-O 3.13Å; D221-G225 PolarHBondContact O-N 3.29Å; A222-G225 PolarHBondContact O-N 2.87Å; H223-G225 PolarHBondContact O-N 3.45Å |
| 226 | L | 97.4 | Very high | 97.8 | Very high | 15 Ų | 15 | 14.3 Ų | 14.3 | 8% | 0.079 | 7% | 0.071 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 149.9 | 166.7 | -66 | 174.6 | 0 | 0 | 0 | 110.1 | E203 F209 D221 Y321 | E203-L226 HydrophobicContact CG-CD1 3.81Å; E203-L226 HydrophobicContact CG-CD2 3.8Å; E203-L226 HydrophobicContact CG-CG 4.47Å; F209-L226 WeakPolarHBondContact CB-O 3.41Å; D221-L226 HydrophobicContact CB-CB 4.06Å; D221-L226 HydrophobicContact CB-CD1 4.25Å; D221-L226 PolarHBondContact O-N 2.85Å; D221-L226 WeakPolarHBondContact OD1-CD1 3.44Å; L226-Y321 HydrophobicContact CB-CE2 4.16Å; L226-Y321 HydrophobicContact CD1-CD2 4.42Å; L226-Y321 HydrophobicContact CD1-CE2 4.45Å |
| 227 | P | 96.8 | Very high | 98 | Very high | 6 Ų | 6 | 13.9 Ų | 13.9 | 4% | 0.039 | 7% | 0.069 | C | C | . | . | P | Polyproline II helix | trans | -56.7 | 150.3 | 168 | -11.1 | 18.2 | 0 | 0 | 0 | 111.6 | T201 F209 Y321 | T201-P227 HydrophobicContact CG2-CB 4.07Å; T201-P227 HydrophobicContact CG2-CG 3.67Å; F209-P227 HydrophobicContact CD2-CB 4.01Å; F209-P227 HydrophobicContact CD2-CG 4.01Å; F209-P227 HydrophobicContact CE2-CB 3.52Å; F209-P227 HydrophobicContact CE2-CG 3.59Å; F209-P227 HydrophobicContact CZ-CB 3.82Å; F209-P227 HydrophobicContact CZ-CG 4.35Å; P227-Y321 VanDerWaalsContact CB-OH 3.3Å; P227-Y321 WeakPolarHBondContact CB-OH 3.25Å; P227-Y321 VanDerWaalsContact CD-OH 3.24Å; P227-Y321 WeakPolarHBondContact CD-OH 3.05Å; P227-Y321 VanDerWaalsContact CG-OH 3.24Å; P227-Y321 WeakPolarHBondContact CG-OH 3.37Å; P227-Y321 WeakPolarHBondContact O-CE2 3.35Å; P227-Y321 PolarHBondContact O-OH 3.09Å; P227-Y321 VanDerWaalsContact O-OH 3.09Å |
| 228 | P | 97.8 | Very high | 98 | Very high | 16 Ų | 16 | 13.5 Ų | 13.5 | 10% | 0.104 | 7% | 0.067 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 143.1 | 173.3 | -22.8 | 33.3 | 0 | 0 | 0 | 112.7 | A165 A167 H192 F194 | A165-P228 HydrophobicContact CB-CB 4.36Å; A167-P228 HydrophobicContact CB-CB 3.71Å; A167-P228 HydrophobicContact CB-CG 3.58Å; H192-P228 HydrophobicContact CB-CB 3.92Å; H192-P228 HydrophobicContact CB-CG 3.88Å; F194-P228 WeakPolarHBondContact CB-O 3.36Å |
| 229 | S | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.067 | C | C | . | . | trans | -147.8 | 174.9 | -176.3 | 73.6 | 0 | 0 | 0 | 0 | 110.9 | R231 G232 D233 Y321 | S229-R231 PolarHBondContact O-N 3.46Å; S229-G232 WeakPolarHBondContact O-CA 3.43Å; S229-G232 PolarHBondContact O-N 3.18Å; S229-D233 PolarHBondContact O-N 3.24Å; S229-D233 VanDerWaalsContact O-N 3.17Å; S229-Y321 WeakPolarHBondContact OG-CD2 3.45Å | ||
| 230 | R | 98.7 | Very high | 98.1 | Very high | 7 Ų | 7 | 13.2 Ų | 13.2 | 3% | 0.026 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -54.1 | -44.9 | -179.7 | -82.2 | 167.4 | -70 | 161.8 | 12.2 | 114.2 | H160 F194 H200 G232 L234 T322 D323 T324 P325 | H160-R230 HydrophobicContact CB-CG 3.8Å; H160-R230 WeakPolarHBondContact CD2-CG 3.46Å; H160-R230 VanDerWaalsContact CG-CG 3.46Å; F194-R230 HydrophobicContact CE1-CG 4.18Å; F194-R230 HydrophobicContact CE2-CG 4.32Å; F194-R230 HydrophobicContact CZ-CG 3.86Å; H200-R230 PolarHBondContact CD2-NH2 3.33Å; H200-R230 PolarHBondContact NE2-NH2 3.1Å; H200-R230 VanDerWaalsContact NE2-NH2 3.15Å; R230-G232 VanDerWaalsContact C-N 3.3Å; R230-G232 PolarHBondContact O-N 2.93Å; R230-L234 WeakPolarHBondContact O-CG 3.34Å; R230-L234 PolarHBondContact O-N 2.73Å; R230-T322 VanDerWaalsContact NH2-C 3.35Å; R230-T322 PolarHBondContact NH2-O 3.12Å; R230-D323 PolarHBondContact NE-O 3.24Å; R230-D323 PolarHBondContact NH1-O 3.27Å; R230-D323 VanDerWaalsContact NH1-O 3.14Å; R230-D323 PolarHBondContact NH2-O 2.89Å; R230-T324 VanDerWaalsContact NH1-CA 3.34Å; R230-T324 PolarHBondContact NH1-OG1 3.01Å; R230-P325 HydrophobicContact CB-CG 4.1Å |
| 231 | R | 98.4 | Very high | 98.1 | Very high | 50 Ų | 50 | 10.8 Ų | 10.8 | 19% | 0.189 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -68.1 | -32.4 | 176.8 | 75.7 | 172.4 | -172.7 | -157.2 | -5.8 | 112 | E203 D221 S229 L234 E235 L319 Y321 | E203-R231 IonicContact OE1-CZ 3.82Å; E203-R231 IonicContact OE1-NH1 2.96Å; E203-R231 IonicContact OE1-NH2 3.58Å; E203-R231 PolarHBondContact OE1-NH2 3.04Å; D221-R231 IonicContact OD1-CZ 3.81Å; D221-R231 IonicContact OD1-NE 3.25Å; D221-R231 PolarHBondContact OD1-NE 3.38Å; D221-R231 IonicContact OD1-NH2 3.93Å; D221-R231 PolarHBondContact OD1-NH2 2.81Å; D221-R231 WeakPolarHBondContact OD2-CG 3.35Å; D221-R231 IonicContact OD2-CZ 3.62Å; D221-R231 IonicContact OD2-NE 3.74Å; D221-R231 PolarHBondContact OD2-NE 3.33Å; D221-R231 IonicContact OD2-NH2 2.72Å; S229-R231 PolarHBondContact O-N 3.46Å; R231-L234 PolarHBondContact O-N 2.98Å; R231-E235 WeakPolarHBondContact O-CB 3.45Å; R231-E235 PolarHBondContact O-N 2.85Å; R231-L319 HydrophobicContact CB-CB 3.75Å; R231-L319 HydrophobicContact CB-CD1 4.05Å; R231-L319 WeakPolarHBondContact CD-O 3.13Å; R231-L319 PolarHBondContact NH1-O 3.39Å; R231-Y321 VanDerWaalsContact NH1-N 3.11Å |
| 232 | G | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 10.3 Ų | 10.3 | 2% | 0.021 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -62.7 | -47.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S229 R230 E235 I236 | S229-G232 WeakPolarHBondContact O-CA 3.43Å; S229-G232 PolarHBondContact O-N 3.18Å; R230-G232 VanDerWaalsContact C-N 3.3Å; R230-G232 PolarHBondContact O-N 2.93Å; G232-E235 PolarHBondContact O-N 3.37Å; G232-I236 WeakPolarHBondContact O-CD1 3.32Å; G232-I236 WeakPolarHBondContact O-CG1 3.22Å; G232-I236 PolarHBondContact O-N 2.95Å |
| 233 | D | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 9.8 Ų | 9.8 | 1% | 0.005 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -63.8 | -39.9 | 176.1 | -87.5 | 10.9 | 0 | 0 | 0 | 112.6 | L156 H160 A165 H166 A167 I169 S229 I236 L237 | L156-D233 HydrophobicContact CD1-CB 4.35Å; L156-D233 HydrophobicContact CD2-CB 4.17Å; L156-D233 WeakPolarHBondContact CD2-OD2 3.46Å; H160-D233 IonicContact CE1-OD2 2.85Å; H160-D233 IonicContact NE2-OD2 3.41Å; H160-D233 PolarHBondContact NE2-OD2 2.84Å; A165-D233 WeakPolarHBondContact CA-OD2 3.37Å; H166-D233 WeakPolarHBondContact CB-OD2 3.47Å; H166-D233 PolarHBondContact N-OD1 3.21Å; H166-D233 PolarHBondContact N-OD2 2.85Å; A167-D233 PolarHBondContact N-OD1 3.26Å; I169-D233 HydrophobicContact CD1-CB 4.03Å; I169-D233 WeakPolarHBondContact CD1-O 3.49Å; S229-D233 PolarHBondContact O-N 3.24Å; S229-D233 VanDerWaalsContact O-N 3.17Å; D233-I236 PolarHBondContact O-N 2.68Å; D233-L237 PolarHBondContact O-N 3.41Å |
| 234 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -68.8 | -35.6 | 176.5 | -69.1 | 178.2 | 0 | 0 | 0 | 112.7 | L153 L156 R230 R231 L237 V238 I316 L319 P325 Y327 L330 | L153-L234 HydrophobicContact CD2-CD2 3.55Å; L156-L234 HydrophobicContact CD1-CD2 4.17Å; R230-L234 WeakPolarHBondContact O-CG 3.34Å; R230-L234 PolarHBondContact O-N 2.73Å; R231-L234 PolarHBondContact O-N 2.98Å; L234-L237 WeakPolarHBondContact O-CB 3.43Å; L234-L237 PolarHBondContact O-N 2.93Å; L234-V238 WeakPolarHBondContact O-CG2 3.33Å; L234-V238 PolarHBondContact O-N 3.23Å; L234-I316 HydrophobicContact CB-CD1 4.02Å; L234-I316 HydrophobicContact CB-CG1 4.08Å; L234-I316 HydrophobicContact CB-CG2 3.83Å; L234-I316 HydrophobicContact CD1-CG1 4.42Å; L234-L319 HydrophobicContact CD1-CD1 3.86Å; L234-P325 HydrophobicContact CD1-CB 3.5Å; L234-P325 HydrophobicContact CD1-CG 3.42Å; L234-P325 VanDerWaalsContact CD1-CG 3.42Å; L234-Y327 HydrophobicContact CD1-CE1 4.37Å; L234-Y327 HydrophobicContact CD2-CE1 4.35Å; L234-L330 HydrophobicContact CD1-CD1 3.78Å; L234-L330 HydrophobicContact CD2-CD1 4.2Å |
| 235 | E | 98.8 | Very high | 98 | Very high | 9 Ų | 9 | 5.2 Ų | 5.2 | 4% | 0.042 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -67.9 | -38.4 | 172.8 | -179.9 | 166.8 | 95.8 | 0 | 0 | 112.1 | S219 R220 R231 G232 L237 V238 Y239 M291 | S219-E235 WeakPolarHBondContact CA-OE1 3.46Å; S219-E235 WeakPolarHBondContact CB-OE1 3.49Å; R220-E235 WeakPolarHBondContact CB-OE1 3.27Å; R220-E235 WeakPolarHBondContact CG-OE1 3.23Å; R220-E235 IonicContact CZ-OE2 2.66Å; R220-E235 PolarHBondContact N-OE1 3.13Å; R220-E235 IonicContact NE-OE1 2.85Å; R220-E235 PolarHBondContact NE-OE1 2.81Å; R220-E235 IonicContact NE-OE2 2.67Å; R220-E235 PolarHBondContact NE-OE2 3.3Å; R220-E235 IonicContact NH2-OE2 2.76Å; R220-E235 PolarHBondContact NH2-OE2 2.91Å; R231-E235 WeakPolarHBondContact O-CB 3.45Å; R231-E235 PolarHBondContact O-N 2.85Å; G232-E235 PolarHBondContact O-N 3.37Å; E235-L237 VanDerWaalsContact C-N 3.29Å; E235-L237 PolarHBondContact O-N 2.73Å; E235-V238 WeakPolarHBondContact O-CB 3.4Å; E235-V238 PolarHBondContact O-N 2.95Å; E235-Y239 HydrophobicContact CG-CD2 4.49Å; E235-Y239 HydrophobicContact CG-CE1 4.37Å; E235-Y239 HydrophobicContact CG-CE2 3.72Å; E235-Y239 WeakPolarHBondContact O-CD2 3.44Å; E235-Y239 PolarHBondContact O-N 3Å; E235-M291 HydrophobicContact CG-CE 3.96Å |
| 236 | I | 98.7 | Very high | 97.8 | Very high | 4 Ų | 4 | 6 Ų | 6 | 2% | 0.021 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -60.3 | -41.3 | 170.4 | -64.7 | 160.1 | 0 | 0 | 0 | 110.2 | I169 F217 G232 D233 Y239 N240 | I169-I236 HydrophobicContact CB-CG2 3.83Å; I169-I236 HydrophobicContact CD1-CB 4.42Å; I169-I236 HydrophobicContact CD1-CG2 4.31Å; I169-I236 HydrophobicContact CG1-CG2 4.43Å; I169-I236 WeakPolarHBondContact O-CG2 3.39Å; F217-I236 HydrophobicContact CB-CG2 4.11Å; F217-I236 VanDerWaalsContact O-CG1 3.29Å; F217-I236 WeakPolarHBondContact O-CG1 3.43Å; G232-I236 WeakPolarHBondContact O-CD1 3.32Å; G232-I236 WeakPolarHBondContact O-CG1 3.22Å; G232-I236 PolarHBondContact O-N 2.95Å; D233-I236 PolarHBondContact O-N 2.68Å; I236-Y239 PolarHBondContact O-N 2.82Å; I236-N240 WeakPolarHBondContact O-CB 3.19Å; I236-N240 PolarHBondContact O-N 3.18Å; I236-N240 VanDerWaalsContact O-N 3.09Å; I236-N240 PolarHBondContact O-ND2 2.68Å |
| 237 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -65.9 | -36.5 | 175.9 | -178.1 | 59.9 | 0 | 0 | 0 | 112.5 | C149 V152 L153 L156 D233 L234 E235 N240 L241 W244 F312 | C149-L237 HydrophobicContact CB-CD1 4.5Å; V152-L237 HydrophobicContact CB-CD1 4.29Å; V152-L237 HydrophobicContact CG1-CD1 3.96Å; V152-L237 HydrophobicContact CG1-CD2 4.17Å; L153-L237 HydrophobicContact CD2-CD2 3.64Å; L153-L237 HydrophobicContact CG-CD2 4.02Å; L156-L237 HydrophobicContact CD1-CD2 4.27Å; D233-L237 PolarHBondContact O-N 3.41Å; L234-L237 WeakPolarHBondContact O-CB 3.43Å; L234-L237 PolarHBondContact O-N 2.93Å; E235-L237 VanDerWaalsContact C-N 3.29Å; E235-L237 PolarHBondContact O-N 2.73Å; L237-N240 PolarHBondContact O-N 3.19Å; L237-L241 WeakPolarHBondContact O-CB 3.43Å; L237-L241 PolarHBondContact O-N 3.25Å; L237-W244 HydrophobicContact CD1-CH2 4.36Å; L237-W244 HydrophobicContact CD1-CZ3 4.3Å; L237-F312 HydrophobicContact CD2-CZ 4.46Å |
| 238 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -59.6 | -47.9 | 174.2 | 162.8 | 0 | 0 | 0 | 0 | 111.8 | L234 E235 N240 L241 I242 M291 F297 F312 I313 I316 | L234-V238 WeakPolarHBondContact O-CG2 3.33Å; L234-V238 PolarHBondContact O-N 3.23Å; E235-V238 WeakPolarHBondContact O-CB 3.4Å; E235-V238 PolarHBondContact O-N 2.95Å; V238-N240 VanDerWaalsContact C-N 3.32Å; V238-N240 PolarHBondContact O-N 2.99Å; V238-L241 PolarHBondContact O-N 3.16Å; V238-I242 PolarHBondContact O-N 3.27Å; V238-M291 HydrophobicContact CG1-CE 4.11Å; V238-M291 HydrophobicContact CG1-SD 4.41Å; V238-F297 HydrophobicContact CG1-CE1 3.94Å; V238-F312 HydrophobicContact CG2-CD1 4.29Å; V238-F312 HydrophobicContact CG2-CE1 3.8Å; V238-I313 HydrophobicContact CG1-CD1 3.7Å; V238-I313 HydrophobicContact CG1-CG1 3.76Å; V238-I313 HydrophobicContact CG1-CG2 4.12Å; V238-I313 HydrophobicContact CG2-CG1 4.08Å; V238-I316 HydrophobicContact CG2-CB 4.31Å; V238-I316 HydrophobicContact CG2-CD1 3.5Å; V238-I316 VanDerWaalsContact CG2-CD1 3.5Å; V238-I316 HydrophobicContact CG2-CG1 4.49Å; V238-I316 HydrophobicContact CG2-CG2 4.19Å |
| 239 | Y | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -65.7 | -37.8 | 178.4 | -56.8 | -33.2 | 0 | 0 | 0 | 111.8 | F217 E235 I236 H243 W262 K287 M291 F297 | F217-Y239 WeakPolarHBondContact O-CD2 3.29Å; E235-Y239 HydrophobicContact CG-CD2 4.49Å; E235-Y239 HydrophobicContact CG-CE1 4.37Å; E235-Y239 HydrophobicContact CG-CE2 3.72Å; E235-Y239 WeakPolarHBondContact O-CD2 3.44Å; E235-Y239 PolarHBondContact O-N 3Å; I236-Y239 PolarHBondContact O-N 2.82Å; Y239-H243 WeakPolarHBondContact O-CB 3.01Å; Y239-H243 PolarHBondContact O-N 3.18Å; Y239-W262 AromaticContact CD1-CH2 3.52Å; Y239-W262 HydrophobicContact CD1-CH2 3.52Å; Y239-W262 AromaticContact CD1-CZ2 3.88Å; Y239-W262 HydrophobicContact CD1-CZ2 3.88Å; Y239-W262 HydrophobicContact CD2-CZ2 4.27Å; Y239-W262 AromaticContact CE1-CH2 3.55Å; Y239-W262 HydrophobicContact CE1-CH2 3.55Å; Y239-W262 HydrophobicContact CE1-CZ2 4.18Å; Y239-W262 HydrophobicContact CE1-CZ3 4.47Å; Y239-W262 HydrophobicContact CG-CH2 4.07Å; Y239-W262 AromaticContact CG-CZ2 3.92Å; Y239-W262 HydrophobicContact CG-CZ2 3.92Å; Y239-K287 HydrophobicContact CE2-CD 3.83Å; Y239-K287 HydrophobicContact CE2-CG 4.2Å; Y239-M291 HydrophobicContact CE1-CE 4.36Å; Y239-M291 HydrophobicContact CE1-CG 4.05Å; Y239-M291 HydrophobicContact CE1-SD 3.6Å; Y239-M291 VanDerWaalsContact CE1-SD 3.6Å; Y239-M291 VanDerWaalsContact OH-CG 3.31Å; Y239-M291 WeakPolarHBondContact OH-CG 3.21Å; Y239-F297 HydrophobicContact CD1-CE1 4.21Å; Y239-F297 HydrophobicContact CD1-CZ 4.21Å; Y239-F297 HydrophobicContact CE1-CE1 4.48Å |
| 240 | N | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.2 | -44.7 | 174.8 | -88.1 | -76.3 | 0 | 0 | 0 | 112.8 | I169 K170 I236 L237 V238 I242 H243 W244 | I169-N240 PolarHBondContact O-ND2 2.87Å; K170-N240 WeakPolarHBondContact CA-OD1 3.36Å; I236-N240 WeakPolarHBondContact O-CB 3.19Å; I236-N240 PolarHBondContact O-N 3.18Å; I236-N240 VanDerWaalsContact O-N 3.09Å; I236-N240 PolarHBondContact O-ND2 2.68Å; L237-N240 PolarHBondContact O-N 3.19Å; V238-N240 VanDerWaalsContact C-N 3.32Å; V238-N240 PolarHBondContact O-N 2.99Å; N240-I242 PolarHBondContact O-N 2.85Å; N240-H243 WeakPolarHBondContact O-CB 3.32Å; N240-H243 PolarHBondContact O-N 3.42Å; N240-H243 VanDerWaalsContact O-N 3.15Å; N240-W244 HydrophobicContact CB-CD2 4.17Å; N240-W244 HydrophobicContact CB-CE3 4.48Å; N240-W244 HydrophobicContact CB-CH2 3.76Å; N240-W244 HydrophobicContact CB-CZ2 3.42Å; N240-W244 VanDerWaalsContact CB-CZ2 3.42Å; N240-W244 HydrophobicContact CB-CZ3 4.29Å; N240-W244 VanDerWaalsContact CG-CZ2 3.48Å; N240-W244 WeakPolarHBondContact O-CB 3.34Å; N240-W244 PolarHBondContact O-N 3Å; N240-W244 WeakPolarHBondContact OD1-CZ2 3.04Å; N240-W244 PolarHBondContact OD1-NE1 2.67Å |
| 241 | L | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -54.2 | -52.8 | 177.1 | 171.7 | 64.7 | 0 | 0 | 0 | 111 | I145 L146 C149 L237 V238 H243 W244 L245 F312 L334 | I145-L241 HydrophobicContact CG2-CD1 4.4Å; L146-L241 HydrophobicContact CD2-CD1 3.77Å; C149-L241 HydrophobicContact CB-CD1 4.41Å; L237-L241 WeakPolarHBondContact O-CB 3.43Å; L237-L241 PolarHBondContact O-N 3.25Å; V238-L241 PolarHBondContact O-N 3.16Å; L241-H243 VanDerWaalsContact C-N 3.32Å; L241-H243 PolarHBondContact O-N 3.02Å; L241-W244 PolarHBondContact O-N 3.34Å; L241-L245 HydrophobicContact CD1-CD1 3.73Å; L241-L245 HydrophobicContact CD1-CG 3.93Å; L241-L245 HydrophobicContact CG-CD1 3.89Å; L241-L245 HydrophobicContact CG-CG 4.44Å; L241-L245 VanDerWaalsContact O-CB 3.3Å; L241-L245 WeakPolarHBondContact O-CB 3.33Å; L241-L245 WeakPolarHBondContact O-CG 3.32Å; L241-L245 PolarHBondContact O-N 2.88Å; L241-F312 HydrophobicContact CD2-CD1 3.9Å; L241-F312 HydrophobicContact CD2-CE1 3.74Å; L241-L334 HydrophobicContact CD2-CD2 4Å |
| 242 | I | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.3 | -40.6 | 178.6 | -63.5 | -59.5 | 0 | 0 | 0 | 111.4 | V238 N240 A246 F297 A301 I313 | V238-I242 PolarHBondContact O-N 3.27Å; N240-I242 PolarHBondContact O-N 2.85Å; I242-A246 VanDerWaalsContact O-CB 3.27Å; I242-A246 WeakPolarHBondContact O-CB 3.43Å; I242-A246 PolarHBondContact O-N 3.35Å; I242-F297 HydrophobicContact CB-CE2 4.31Å; I242-F297 HydrophobicContact CB-CZ 3.96Å; I242-F297 HydrophobicContact CG1-CE1 3.99Å; I242-F297 HydrophobicContact CG1-CE2 4.2Å; I242-F297 HydrophobicContact CG1-CZ 3.7Å; I242-F297 HydrophobicContact CG2-CE2 3.81Å; I242-F297 HydrophobicContact CG2-CZ 3.98Å; I242-A301 HydrophobicContact CD1-CB 3.92Å; I242-A301 HydrophobicContact CG2-CB 3.67Å; I242-I313 HydrophobicContact CD1-CD1 4.35Å; I242-I313 HydrophobicContact CG1-CD1 4.38Å |
| 243 | H | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64 | -43.1 | 177.8 | 178.6 | 58.1 | 0 | 0 | 0 | 113.5 | F217 Y239 N240 L241 R247 L255 H256 S257 T258 L260 | F217-H243 HydrophobicContact CE1-CB 3.96Å; F217-H243 AromaticContact CE1-CD2 3.52Å; F217-H243 AromaticContact CE1-CG 3.73Å; F217-H243 AromaticContact CZ-CD2 3.41Å; F217-H243 VanDerWaalsContact CZ-CD2 3.41Å; F217-H243 WeakPolarHBondContact CZ-CD2 3.37Å; F217-H243 AromaticContact CZ-NE2 3.77Å; Y239-H243 WeakPolarHBondContact O-CB 3.01Å; Y239-H243 PolarHBondContact O-N 3.18Å; N240-H243 WeakPolarHBondContact O-CB 3.32Å; N240-H243 PolarHBondContact O-N 3.42Å; N240-H243 VanDerWaalsContact O-N 3.15Å; L241-H243 VanDerWaalsContact C-N 3.32Å; L241-H243 PolarHBondContact O-N 3.02Å; H243-R247 WeakPolarHBondContact CE1-CD 3.34Å; H243-R247 WeakPolarHBondContact NE2-CD 3.31Å; H243-R247 PolarHBondContact NE2-NH1 3.48Å; H243-R247 WeakPolarHBondContact O-CG 3.47Å; H243-R247 PolarHBondContact O-N 3.06Å; H243-L255 PolarHBondContact CE1-O 3.4Å; H243-L255 VanDerWaalsContact CE1-O 3.3Å; H243-H256 VanDerWaalsContact CE1-C 3.47Å; H243-S257 PolarHBondContact CE1-N 3.03Å; H243-T258 PolarHBondContact ND1-N 2.69Å; H243-T258 PolarHBondContact ND1-O 2.92Å; H243-L260 HydrophobicContact CB-CD2 4.3Å; H243-L260 HydrophobicContact CB-CG 4.38Å |
| 244 | W | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -75.4 | -40.5 | -179.7 | -55.1 | -20.2 | 0 | 0 | 0 | 111.7 | L131 L135 I145 C149 A171 L174 L237 N240 L241 A246 R247 S248 | L131-W244 HydrophobicContact CD2-CD2 4.2Å; L131-W244 HydrophobicContact CD2-CE3 4.12Å; L131-W244 HydrophobicContact CD2-CH2 4.3Å; L131-W244 HydrophobicContact CD2-CZ2 4.31Å; L131-W244 HydrophobicContact CD2-CZ3 4.18Å; L135-W244 HydrophobicContact CD1-CB 4.19Å; L135-W244 HydrophobicContact CD1-CG 3.89Å; L135-W244 HydrophobicContact CD2-CB 4.34Å; I145-W244 HydrophobicContact CD1-CB 3.96Å; I145-W244 HydrophobicContact CG1-CB 4.33Å; I145-W244 HydrophobicContact CG2-CB 3.74Å; I145-W244 HydrophobicContact CG2-CE3 4.4Å; C149-W244 WeakPolarHBondContact SG-CZ3 3.5Å; A171-W244 HydrophobicContact CB-CZ2 4.27Å; L174-W244 HydrophobicContact CD1-CH2 3.28Å; L174-W244 HydrophobicContact CD1-CZ2 3.73Å; L174-W244 HydrophobicContact CD1-CZ3 4.07Å; L237-W244 HydrophobicContact CD1-CH2 4.36Å; L237-W244 HydrophobicContact CD1-CZ3 4.3Å; N240-W244 HydrophobicContact CB-CD2 4.17Å; N240-W244 HydrophobicContact CB-CE3 4.48Å; N240-W244 HydrophobicContact CB-CH2 3.76Å; N240-W244 HydrophobicContact CB-CZ2 3.42Å; N240-W244 VanDerWaalsContact CB-CZ2 3.42Å; N240-W244 HydrophobicContact CB-CZ3 4.29Å; N240-W244 VanDerWaalsContact CG-CZ2 3.48Å; N240-W244 WeakPolarHBondContact O-CB 3.34Å; N240-W244 PolarHBondContact O-N 3Å; N240-W244 WeakPolarHBondContact OD1-CZ2 3.04Å; N240-W244 PolarHBondContact OD1-NE1 2.67Å; L241-W244 PolarHBondContact O-N 3.34Å; W244-A246 VanDerWaalsContact C-N 3.33Å; W244-A246 PolarHBondContact O-N 2.9Å; W244-R247 CarbonylContact O-C 3.5Å; W244-R247 PolarHBondContact O-N 2.83Å; W244-R247 VanDerWaalsContact O-N 3.08Å; W244-S248 PolarHBondContact O-N 3.07Å |
| 245 | L | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.9 | -49.7 | 171.9 | -74.8 | 174 | 0 | 0 | 0 | 110.4 | T142 I145 L146 L241 R247 S248 Y303 I309 | T142-L245 HydrophobicContact CG2-CD2 3.48Å; T142-L245 VanDerWaalsContact CG2-CD2 3.48Å; I145-L245 HydrophobicContact CB-CD2 4.49Å; I145-L245 HydrophobicContact CG2-CD2 4Å; I145-L245 HydrophobicContact CG2-CG 4.13Å; L146-L245 HydrophobicContact CG-CD2 4.38Å; L241-L245 HydrophobicContact CD1-CD1 3.73Å; L241-L245 HydrophobicContact CD1-CG 3.93Å; L241-L245 HydrophobicContact CG-CD1 3.89Å; L241-L245 HydrophobicContact CG-CG 4.44Å; L241-L245 VanDerWaalsContact O-CB 3.3Å; L241-L245 WeakPolarHBondContact O-CB 3.33Å; L241-L245 WeakPolarHBondContact O-CG 3.32Å; L241-L245 PolarHBondContact O-N 2.88Å; L245-R247 PolarHBondContact O-N 3.36Å; L245-S248 PolarHBondContact O-N 2.73Å; L245-S248 VanDerWaalsContact O-N 3.09Å; L245-S248 PolarHBondContact O-OG 3.33Å; L245-Y303 HydrophobicContact CB-CE2 3.76Å; L245-Y303 HydrophobicContact CD1-CD2 4.25Å; L245-Y303 HydrophobicContact CD1-CE1 4.32Å; L245-Y303 HydrophobicContact CD1-CE2 4.09Å; L245-Y303 HydrophobicContact CD2-CE1 4.38Å; L245-Y303 HydrophobicContact CG-CE2 4.44Å; L245-I309 HydrophobicContact CD1-CD1 4.22Å |
| 246 | A | 94.4 | Very high | 93.4 | Very high | 16 Ų | 16 | 30.6 Ų | 30.6 | 13% | 0.132 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.7 | -22.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I242 W244 A252 T258 | I242-A246 VanDerWaalsContact O-CB 3.27Å; I242-A246 WeakPolarHBondContact O-CB 3.43Å; I242-A246 PolarHBondContact O-N 3.35Å; W244-A246 VanDerWaalsContact C-N 3.33Å; W244-A246 PolarHBondContact O-N 2.9Å; A246-A252 WeakPolarHBondContact O-CB 3.41Å; A246-T258 HydrophobicContact CB-CG2 4.12Å |
| 247 | R | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -94.1 | -11.6 | 175.9 | -73.3 | 172.8 | 62.1 | -179.5 | 4.5 | 114.2 | E132 L135 H243 W244 L245 H249 Q254 T258 | E132-R247 IonicContact OE1-CZ 3.31Å; E132-R247 VanDerWaalsContact OE1-CZ 3.31Å; E132-R247 IonicContact OE1-NH1 2.97Å; E132-R247 PolarHBondContact OE1-NH1 2.95Å; E132-R247 IonicContact OE1-NH2 2.79Å; E132-R247 PolarHBondContact OE1-NH2 3.47Å; E132-R247 IonicContact OE2-CZ 3.8Å; E132-R247 IonicContact OE2-NH1 3.21Å; E132-R247 PolarHBondContact OE2-NH1 2.84Å; E132-R247 IonicContact OE2-NH2 2.73Å; L135-R247 HydrophobicContact CD2-CB 4.03Å; H243-R247 WeakPolarHBondContact CE1-CD 3.34Å; H243-R247 WeakPolarHBondContact NE2-CD 3.31Å; H243-R247 PolarHBondContact NE2-NH1 3.48Å; H243-R247 WeakPolarHBondContact O-CG 3.47Å; H243-R247 PolarHBondContact O-N 3.06Å; W244-R247 CarbonylContact O-C 3.5Å; W244-R247 PolarHBondContact O-N 2.83Å; W244-R247 VanDerWaalsContact O-N 3.08Å; L245-R247 PolarHBondContact O-N 3.36Å; R247-H249 VanDerWaalsContact C-N 3.28Å; R247-H249 PolarHBondContact O-N 3.46Å; R247-Q254 VanDerWaalsContact CZ-OE1 3.28Å; R247-Q254 PolarHBondContact O-NE2 3.34Å; R247-T258 HydrophobicContact CG-CG2 4.07Å |
| 248 | S | 90.6 | Very high | 92.9 | Very high | 14 Ų | 14 | 31.7 Ų | 31.7 | 10% | 0.098 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -75.5 | -11.7 | 179.4 | 70 | 0 | 0 | 0 | 0 | 114.1 | T142 W244 L245 | T142-S248 PolarHBondContact OG1-OG 2.57Å; T142-S248 VanDerWaalsContact OG1-OG 3.12Å; W244-S248 PolarHBondContact O-N 3.07Å; L245-S248 PolarHBondContact O-N 2.73Å; L245-S248 VanDerWaalsContact O-N 3.09Å; L245-S248 PolarHBondContact O-OG 3.33Å |
| 249 | H | 86.2 | Confident | 92.7 | Very high | 87 Ų | 87 | 33.3 Ų | 33.3 | 40% | 0.403 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -76.8 | 138.3 | 175 | -56.7 | -73.3 | 0 | 0 | 0 | 111 | H138 R247 N251 A252 Y303 | H138-H249 PolarHBondContact CE1-O 2.9Å; H138-H249 VanDerWaalsContact CE1-O 3.32Å; H138-H249 PolarHBondContact ND1-O 3.19Å; R247-H249 VanDerWaalsContact C-N 3.28Å; R247-H249 PolarHBondContact O-N 3.46Å; H249-N251 PolarHBondContact O-N 3.49Å; H249-A252 HydrophobicContact CB-CB 4.24Å; H249-A252 VanDerWaalsContact O-CB 3.22Å; H249-A252 WeakPolarHBondContact O-CB 3.49Å; H249-A252 PolarHBondContact O-N 3.15Å; H249-Y303 PolarHBondContact NE2-OH 3.22Å |
| 250 | P | 83 | Confident | 92.5 | Very high | 102 Ų | 102 | 33.9 Ų | 33.9 | 66% | 0.662 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -29.5 | -174.6 | -30.5 | 36.4 | 0 | 0 | 0 | 116.1 | H138 | H138-P250 PolarHBondContact CE1-O 2.96Å; H138-P250 PolarHBondContact ND1-O 3.11Å |
| 251 | N | 86.1 | Confident | 92.4 | Very high | 162 Ų | 162 | 35.6 Ų | 35.6 | 87% | 0.866 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | 15.9 | -179.1 | -60.8 | -28.8 | 0 | 0 | 0 | 113 | H249 | H249-N251 PolarHBondContact O-N 3.49Š|
| 252 | A | 86.8 | Confident | 92.3 | Very high | 13 Ų | 13 | 35.6 Ų | 35.6 | 11% | 0.107 | 21% | 0.211 | C | C | . | . | trans | -71.8 | 135.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A246 H249 Q254 | A246-A252 WeakPolarHBondContact O-CB 3.41Å; H249-A252 HydrophobicContact CB-CB 4.24Å; H249-A252 VanDerWaalsContact O-CB 3.22Å; H249-A252 WeakPolarHBondContact O-CB 3.49Å; H249-A252 PolarHBondContact O-N 3.15Å; A252-Q254 PolarHBondContact O-N 3.36Å | ||
| 253 | P | 89.8 | Confident | 92.2 | Very high | 78 Ų | 78 | 35.9 Ų | 35.9 | 51% | 0.506 | 21% | 0.214 | S | C | . | . | trans | -60.1 | 121.8 | 170.5 | -23.6 | 34.1 | 0 | 0 | 0 | 111.4 | L255 T258 | P253-L255 HydrophobicContact CB-CD1 4.26Å; P253-L255 HydrophobicContact CB-CG 4.04Å; P253-L255 PolarHBondContact O-N 2.72Å; P253-T258 WeakPolarHBondContact O-CB 3.29Å; P253-T258 WeakPolarHBondContact O-CG2 3.37Å; P253-T258 PolarHBondContact O-OG1 2.88Å | ||
| 254 | Q | 91.8 | Very high | 92 | Very high | 50 Ų | 50 | 41.9 Ų | 41.9 | 23% | 0.234 | 24% | 0.242 | C | C | . | . | trans | -79.9 | 40.2 | 177.9 | -62.6 | -63.1 | -22.2 | 0 | 0 | 112.8 | L135 H138 R247 A252 | L135-Q254 PolarHBondContact O-NE2 2.97Å; L135-Q254 PolarHBondContact O-OE1 3.11Å; H138-Q254 PolarHBondContact CE1-NE2 2.86Å; H138-Q254 PolarHBondContact NE2-NE2 3.44Å; H138-Q254 VanDerWaalsContact NE2-NE2 3.1Å; R247-Q254 VanDerWaalsContact CZ-OE1 3.28Å; R247-Q254 PolarHBondContact O-NE2 3.34Å; A252-Q254 PolarHBondContact O-N 3.36Å | ||
| 255 | L | 91.3 | Very high | 91.9 | Very high | 101 Ų | 101 | 44.1 Ų | 44.1 | 53% | 0.529 | 25% | 0.254 | S | S | . | . | trans | -75.5 | 148.6 | 174 | -53.6 | 176.1 | 0 | 0 | 0 | 109.8 | H243 P253 S257 T258 | H243-L255 PolarHBondContact CE1-O 3.4Å; H243-L255 VanDerWaalsContact CE1-O 3.3Å; P253-L255 HydrophobicContact CB-CD1 4.26Å; P253-L255 HydrophobicContact CB-CG 4.04Å; P253-L255 PolarHBondContact O-N 2.72Å; L255-S257 PolarHBondContact O-N 2.83Å; L255-T258 WeakPolarHBondContact CB-OG1 3.46Å; L255-T258 PolarHBondContact N-OG1 3.49Å; L255-T258 PolarHBondContact O-N 2.81Å; L255-T258 PolarHBondContact O-OG1 3.4Å; L255-T258 VanDerWaalsContact O-OG1 3.11Å | ||
| 256 | H | 89.1 | Confident | 91.7 | Very high | 15 Ų | 15 | 44.1 Ų | 44.1 | 7% | 0.069 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 6.1 | -178.3 | 63.3 | 64.9 | 0 | 0 | 0 | 114.8 | H243 I266 R272 | H243-H256 VanDerWaalsContact CE1-C 3.47Å; H256-I266 PolarHBondContact CE1-O 3.03Å; H256-I266 PolarHBondContact NE2-O 2.81Å; H256-R272 PolarHBondContact CE1-NH1 2.84Å; H256-R272 PolarHBondContact ND1-NH1 3.17Å; H256-R272 VanDerWaalsContact ND1-NH1 3.11Å; H256-R272 WeakPolarHBondContact NE2-CD 3.49Å |
| 257 | S | 92.7 | Very high | 91.4 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 5% | 0.049 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -151.8 | 21.9 | -179.2 | 58.5 | 0 | 0 | 0 | 0 | 113 | H243 L255 L260 G263 | H243-S257 PolarHBondContact CE1-N 3.03Å; L255-S257 PolarHBondContact O-N 2.83Å; S257-L260 WeakPolarHBondContact O-CB 3.34Å; S257-L260 PolarHBondContact O-N 2.7Å; S257-G263 WeakPolarHBondContact OG-CA 3.42Å; S257-G263 PolarHBondContact OG-O 3.43Å |
| 258 | T | 93.8 | Very high | 91 | Very high | 20 Ų | 20 | 49.4 Ų | 49.4 | 12% | 0.123 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 139.3 | 171.6 | -58.5 | 0 | 0 | 0 | 0 | 111 | H243 A246 R247 P253 L255 L260 | H243-T258 PolarHBondContact ND1-N 2.69Å; H243-T258 PolarHBondContact ND1-O 2.92Å; A246-T258 HydrophobicContact CB-CG2 4.12Å; R247-T258 HydrophobicContact CG-CG2 4.07Å; P253-T258 WeakPolarHBondContact O-CB 3.29Å; P253-T258 WeakPolarHBondContact O-CG2 3.37Å; P253-T258 PolarHBondContact O-OG1 2.88Å; L255-T258 WeakPolarHBondContact CB-OG1 3.46Å; L255-T258 PolarHBondContact N-OG1 3.49Å; L255-T258 PolarHBondContact O-N 2.81Å; L255-T258 PolarHBondContact O-OG1 3.4Å; L255-T258 VanDerWaalsContact O-OG1 3.11Å; T258-L260 PolarHBondContact O-N 2.8Å |
| 259 | G | 93.2 | Very high | 90.6 | Very high | 35 Ų | 35 | 53.5 Ų | 53.5 | 36% | 0.361 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | -6.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 260 | L | 96 | Very high | 90.5 | Very high | 12 Ų | 12 | 57.9 Ų | 57.9 | 6% | 0.063 | 33% | 0.328 | C | S | . | . | trans | -95.7 | 128.1 | -179.5 | -59.5 | -178.1 | 0 | 0 | 0 | 111.6 | E216 F217 H243 S257 T258 W262 G263 | E216-L260 HydrophobicContact CB-CD1 3.95Å; F217-L260 HydrophobicContact CD1-CD1 4.22Å; F217-L260 HydrophobicContact CE1-CD1 4.02Å; H243-L260 HydrophobicContact CB-CD2 4.3Å; H243-L260 HydrophobicContact CB-CG 4.38Å; S257-L260 WeakPolarHBondContact O-CB 3.34Å; S257-L260 PolarHBondContact O-N 2.7Å; T258-L260 PolarHBondContact O-N 2.8Å; L260-W262 HydrophobicContact CB-CD2 4.39Å; L260-W262 HydrophobicContact CB-CZ2 4.13Å; L260-W262 HydrophobicContact CD1-CZ2 4.11Å; L260-W262 HydrophobicContact CD2-CH2 4.35Å; L260-W262 HydrophobicContact CD2-CZ2 3.88Å; L260-W262 HydrophobicContact CG-CZ2 4.27Å; L260-W262 PolarHBondContact O-N 3.32Å; L260-W262 VanDerWaalsContact O-N 3.13Å; L260-G263 PolarHBondContact O-N 3.39Å | ||
| 261 | P | 96.1 | Very high | 90.4 | Very high | 35 Ų | 35 | 55.4 Ų | 55.4 | 23% | 0.227 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -34.2 | -178.6 | -30.1 | 36 | 0 | 0 | 0 | 114.8 | H264 T290 F297 | P261-H264 PolarHBondContact O-CE1 2.92Å; P261-H264 PolarHBondContact O-ND1 2.68Å; P261-T290 HydrophobicContact CG-CG2 4.32Å; P261-F297 HydrophobicContact CG-CD2 4.14Å; P261-F297 HydrophobicContact CG-CE2 4.18Å |
| 262 | W | 96 | Very high | 90.1 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 1 | 176.5 | 52.5 | 87.4 | 0 | 0 | 0 | 114.5 | E216 Y239 L260 H264 L265 V283 L286 K287 T290 F297 | E216-W262 PolarHBondContact O-NE1 3.25Å; Y239-W262 AromaticContact CD1-CH2 3.52Å; Y239-W262 HydrophobicContact CD1-CH2 3.52Å; Y239-W262 AromaticContact CD1-CZ2 3.88Å; Y239-W262 HydrophobicContact CD1-CZ2 3.88Å; Y239-W262 HydrophobicContact CD2-CZ2 4.27Å; Y239-W262 AromaticContact CE1-CH2 3.55Å; Y239-W262 HydrophobicContact CE1-CH2 3.55Å; Y239-W262 HydrophobicContact CE1-CZ2 4.18Å; Y239-W262 HydrophobicContact CE1-CZ3 4.47Å; Y239-W262 HydrophobicContact CG-CH2 4.07Å; Y239-W262 AromaticContact CG-CZ2 3.92Å; Y239-W262 HydrophobicContact CG-CZ2 3.92Å; L260-W262 HydrophobicContact CB-CD2 4.39Å; L260-W262 HydrophobicContact CB-CZ2 4.13Å; L260-W262 HydrophobicContact CD1-CZ2 4.11Å; L260-W262 HydrophobicContact CD2-CH2 4.35Å; L260-W262 HydrophobicContact CD2-CZ2 3.88Å; L260-W262 HydrophobicContact CG-CZ2 4.27Å; L260-W262 PolarHBondContact O-N 3.32Å; L260-W262 VanDerWaalsContact O-N 3.13Å; W262-H264 PolarHBondContact O-N 2.93Å; W262-H264 VanDerWaalsContact O-N 3.17Å; W262-L265 HydrophobicContact CB-CD1 4.41Å; W262-L265 WeakPolarHBondContact O-CB 3.35Å; W262-L265 PolarHBondContact O-N 3.28Å; W262-V283 HydrophobicContact CB-CG1 4.31Å; W262-V283 HydrophobicContact CB-CG2 4.3Å; W262-V283 HydrophobicContact CG-CG1 3.97Å; W262-L286 HydrophobicContact CB-CB 4.05Å; W262-L286 HydrophobicContact CB-CD1 3.73Å; W262-L286 HydrophobicContact CE3-CB 4.27Å; W262-K287 HydrophobicContact CD2-CG 3.85Å; W262-K287 HydrophobicContact CE3-CG 3.68Å; W262-K287 HydrophobicContact CH2-CG 3.67Å; W262-K287 HydrophobicContact CZ2-CD 4.25Å; W262-K287 VanDerWaalsContact CZ2-CE 3.4Å; W262-K287 HydrophobicContact CZ2-CG 3.8Å; W262-K287 HydrophobicContact CZ3-CB 4.4Å; W262-K287 HydrophobicContact CZ3-CG 3.59Å; W262-T290 HydrophobicContact CZ3-CG2 4.08Å; W262-F297 HydrophobicContact CH2-CZ 4.49Å |
| 263 | G | 93.9 | Very high | 89.6 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 7% | 0.072 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -58.3 | -32.6 | -174 | 0 | 0 | 0 | 0 | 0 | 113.9 | S257 L260 L265 I266 S267 | S257-G263 WeakPolarHBondContact OG-CA 3.42Å; S257-G263 PolarHBondContact OG-O 3.43Å; L260-G263 PolarHBondContact O-N 3.39Å; G263-L265 PolarHBondContact O-N 3.27Å; G263-I266 PolarHBondContact O-N 2.83Å; G263-S267 WeakPolarHBondContact O-CB 3.26Å; G263-S267 PolarHBondContact O-N 2.94Å; G263-S267 VanDerWaalsContact O-N 3.14Å |
| 264 | H | 93.3 | Very high | 89.4 | Confident | 126 Ų | 126 | 54.8 Ų | 54.8 | 58% | 0.583 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -64.2 | -23.7 | 176.5 | 68.2 | -89.4 | 0 | 0 | 0 | 114 | P261 W262 I266 S267 | P261-H264 PolarHBondContact O-CE1 2.92Å; P261-H264 PolarHBondContact O-ND1 2.68Å; W262-H264 PolarHBondContact O-N 2.93Å; W262-H264 VanDerWaalsContact O-N 3.17Å; H264-I266 VanDerWaalsContact C-N 3.32Å; H264-S267 PolarHBondContact O-OG 3.42Å |
| 265 | L | 94.8 | Very high | 89.2 | Confident | 47 Ų | 47 | 53 Ų | 53 | 25% | 0.246 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -78.2 | -16.5 | 178.1 | -61.5 | 179.6 | 0 | 0 | 0 | 113.4 | W262 G263 V279 A282 V283 L286 | W262-L265 HydrophobicContact CB-CD1 4.41Å; W262-L265 WeakPolarHBondContact O-CB 3.35Å; W262-L265 PolarHBondContact O-N 3.28Å; G263-L265 PolarHBondContact O-N 3.27Å; L265-V279 HydrophobicContact CB-CG1 4.22Å; L265-V279 WeakPolarHBondContact O-CG1 3.28Å; L265-A282 HydrophobicContact CD1-CB 3.71Å; L265-V283 HydrophobicContact CB-CG2 4.17Å; L265-V283 HydrophobicContact CD1-CG2 3.99Å; L265-L286 HydrophobicContact CD1-CD1 3.65Å; L265-L286 HydrophobicContact CG-CD1 4.34Å |
| 266 | I | 92.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -134.1 | 14.2 | -168 | 57.3 | 172 | 0 | 0 | 0 | 112.8 | I215 E216 H256 G263 H264 R272 V279 V283 | I215-I266 HydrophobicContact CG1-CG2 4.47Å; I215-I266 HydrophobicContact CG2-CD1 4.29Å; I215-I266 HydrophobicContact CG2-CG2 4.45Å; E216-I266 HydrophobicContact CB-CD1 3.7Å; H256-I266 PolarHBondContact CE1-O 3.03Å; H256-I266 PolarHBondContact NE2-O 2.81Å; G263-I266 PolarHBondContact O-N 2.83Å; H264-I266 VanDerWaalsContact C-N 3.32Å; I266-R272 WeakPolarHBondContact O-CD 3.36Å; I266-R272 WeakPolarHBondContact O-CG 3.47Å; I266-V279 HydrophobicContact CG2-CG1 3.98Å; I266-V283 HydrophobicContact CG2-CG2 3.79Å |
| 267 | S | 87.1 | Confident | 89.5 | Confident | 59 Ų | 59 | 53.3 Ų | 53.3 | 41% | 0.413 | 30% | 0.301 | S | S | . | . | trans | -75.7 | -29.8 | -175.6 | 52.3 | 0 | 0 | 0 | 0 | 114.2 | G263 H264 P269 | G263-S267 WeakPolarHBondContact O-CB 3.26Å; G263-S267 PolarHBondContact O-N 2.94Å; G263-S267 VanDerWaalsContact O-N 3.14Å; H264-S267 PolarHBondContact O-OG 3.42Å; S267-P269 VanDerWaalsContact O-CD 3.29Å; S267-P269 WeakPolarHBondContact O-CD 3.45Å | ||
| 268 | D | 86.5 | Confident | 89.6 | Confident | 68 Ų | 68 | 57 Ų | 57 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | trans | -69.4 | 118.3 | 177.7 | 168.3 | 30.4 | 0 | 0 | 0 | 111.4 | K270 L271 R272 | D268-K270 PolarHBondContact O-N 2.96Å; D268-K270 WeakPolarHBondContact OD1-CB 3.25Å; D268-K270 PolarHBondContact OD1-N 2.81Å; D268-K270 WeakPolarHBondContact OD2-CB 3.46Å; D268-L271 HydrophobicContact CB-CB 3.99Å; D268-L271 PolarHBondContact O-N 3.09Å; D268-L271 WeakPolarHBondContact OD2-CB 3.46Å; D268-L271 PolarHBondContact OD2-N 3.38Å; D268-R272 WeakPolarHBondContact O-CG 3.42Å; D268-R272 PolarHBondContact O-N 2.97Å | ||
| 269 | P | 82.9 | Confident | 89.7 | Confident | 99 Ų | 99 | 57.3 Ų | 57.3 | 64% | 0.643 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -57.8 | -28.4 | 176.4 | -24.7 | 35.8 | 0 | 0 | 0 | 114.3 | S267 | S267-P269 VanDerWaalsContact O-CD 3.29Å; S267-P269 WeakPolarHBondContact O-CD 3.45Å |
| 270 | K | 83.4 | Confident | 89.8 | Confident | 179 Ų | 179 | 57.5 Ų | 57.5 | 78% | 0.778 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -72.3 | -49.3 | 178.4 | -57.7 | 172.6 | -178.5 | 173.4 | 0 | 110.5 | D268 R272 A273 | D268-K270 PolarHBondContact O-N 2.96Å; D268-K270 WeakPolarHBondContact OD1-CB 3.25Å; D268-K270 PolarHBondContact OD1-N 2.81Å; D268-K270 WeakPolarHBondContact OD2-CB 3.46Å; K270-R272 VanDerWaalsContact C-N 3.26Å; K270-R272 PolarHBondContact O-N 3.36Å; K270-A273 WeakPolarHBondContact O-CB 3.38Å; K270-A273 PolarHBondContact O-N 2.88Å; K270-A273 VanDerWaalsContact O-N 3.16Å |
| 271 | L | 82.7 | Confident | 89.9 | Confident | 50 Ų | 50 | 61.1 Ų | 61.1 | 26% | 0.262 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.2 | -38.8 | 173.4 | -169.5 | 150 | 0 | 0 | 0 | 111.8 | D268 A273 N274 V275 V279 | D268-L271 HydrophobicContact CB-CB 3.99Å; D268-L271 PolarHBondContact O-N 3.09Å; D268-L271 WeakPolarHBondContact OD2-CB 3.46Å; D268-L271 PolarHBondContact OD2-N 3.38Å; L271-A273 VanDerWaalsContact C-N 3.26Å; L271-A273 PolarHBondContact O-N 2.73Å; L271-N274 CarbonylContact O-C 3.52Å; L271-N274 PolarHBondContact O-N 2.8Å; L271-N274 VanDerWaalsContact O-N 3.13Å; L271-V275 HydrophobicContact CD2-CB 4.38Å; L271-V275 HydrophobicContact CD2-CG1 4.09Å; L271-V275 HydrophobicContact CD2-CG2 4.23Å; L271-V275 VanDerWaalsContact O-CA 3.28Å; L271-V275 WeakPolarHBondContact O-CA 3.25Å; L271-V275 PolarHBondContact O-N 2.83Å; L271-V279 HydrophobicContact CD1-CG2 4.38Å; L271-V279 HydrophobicContact CD2-CG1 4.17Å |
| 272 | R | 79 | Confident | 89.9 | Confident | 58 Ų | 58 | 61.3 Ų | 61.3 | 22% | 0.219 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.6 | -30 | 177.1 | -72.2 | 179.3 | 67.2 | 73.4 | -1.1 | 114.6 | E216 H256 I266 D268 K270 N274 | E216-R272 VanDerWaalsContact CD-NH2 3.33Å; E216-R272 IonicContact OE1-CZ 2.71Å; E216-R272 IonicContact OE1-NH1 2.68Å; E216-R272 IonicContact OE1-NH2 4Å; E216-R272 PolarHBondContact OE1-NH2 2.85Å; E216-R272 IonicContact OE2-CZ 3.96Å; E216-R272 IonicContact OE2-NH1 2.96Å; E216-R272 PolarHBondContact OE2-NH1 3.37Å; E216-R272 IonicContact OE2-NH2 3.42Å; E216-R272 PolarHBondContact OE2-NH2 2.96Å; H256-R272 PolarHBondContact CE1-NH1 2.84Å; H256-R272 PolarHBondContact ND1-NH1 3.17Å; H256-R272 VanDerWaalsContact ND1-NH1 3.11Å; H256-R272 WeakPolarHBondContact NE2-CD 3.49Å; I266-R272 WeakPolarHBondContact O-CD 3.36Å; I266-R272 WeakPolarHBondContact O-CG 3.47Å; D268-R272 WeakPolarHBondContact O-CG 3.42Å; D268-R272 PolarHBondContact O-N 2.97Å; K270-R272 VanDerWaalsContact C-N 3.26Å; K270-R272 PolarHBondContact O-N 3.36Å; R272-N274 PolarHBondContact O-N 3.1Å |
| 273 | A | 76 | Confident | 90 | Very high | 54 Ų | 54 | 61.3 Ų | 61.3 | 45% | 0.446 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.4 | -24 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | K270 L271 V510 | K270-A273 WeakPolarHBondContact O-CB 3.38Å; K270-A273 PolarHBondContact O-N 2.88Å; K270-A273 VanDerWaalsContact O-N 3.16Å; L271-A273 VanDerWaalsContact C-N 3.26Å; L271-A273 PolarHBondContact O-N 2.73Å; A273-V510 HydrophobicContact CB-CG2 4.5Å; A273-V510 WeakPolarHBondContact O-CG2 3.5Å |
| 274 | N | 84.8 | Confident | 90.2 | Very high | 128 Ų | 128 | 61.9 Ų | 61.9 | 68% | 0.684 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -152.8 | 69 | 175 | -175.8 | 27.9 | 0 | 0 | 0 | 110.9 | L271 R272 P276 | L271-N274 CarbonylContact O-C 3.52Å; L271-N274 PolarHBondContact O-N 2.8Å; L271-N274 VanDerWaalsContact O-N 3.13Å; R272-N274 PolarHBondContact O-N 3.1Å; N274-P276 VanDerWaalsContact O-CD 3.26Å; N274-P276 WeakPolarHBondContact O-CD 3.23Å; N274-P276 VanDerWaalsContact O-N 3.16Å |
| 275 | V | 88.5 | Confident | 90.4 | Very high | 13 Ų | 13 | 58.8 Ų | 58.8 | 8% | 0.079 | 35% | 0.347 | C | S | . | . | trans | -56.6 | 118.3 | -175.9 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | I215 L271 V279 K280 | I215-V275 HydrophobicContact CG2-CG2 4.42Å; L271-V275 HydrophobicContact CD2-CB 4.38Å; L271-V275 HydrophobicContact CD2-CG1 4.09Å; L271-V275 HydrophobicContact CD2-CG2 4.23Å; L271-V275 VanDerWaalsContact O-CA 3.28Å; L271-V275 WeakPolarHBondContact O-CA 3.25Å; L271-V275 PolarHBondContact O-N 2.83Å; V275-V279 HydrophobicContact CG1-CB 3.89Å; V275-V279 HydrophobicContact CG1-CG1 3.75Å; V275-K280 HydrophobicContact CB-CG 4.38Å; V275-K280 HydrophobicContact CG1-CG 3.8Å; V275-K280 PolarHBondContact O-NZ 2.84Å | ||
| 276 | P | 93.6 | Very high | 90.6 | Very high | 55 Ų | 55 | 58.9 Ų | 58.9 | 36% | 0.357 | 35% | 0.348 | S | S | . | . | trans | -58.4 | 145.1 | 178.6 | -26.4 | 35.3 | 0 | 0 | 0 | 112.2 | N274 S278 V279 K280 | N274-P276 VanDerWaalsContact O-CD 3.26Å; N274-P276 WeakPolarHBondContact O-CD 3.23Å; N274-P276 VanDerWaalsContact O-N 3.16Å; P276-S278 PolarHBondContact O-N 2.97Å; P276-V279 HydrophobicContact CB-CG2 4.21Å; P276-V279 HydrophobicContact CG-CG2 4.24Å; P276-V279 WeakPolarHBondContact O-CB 3.45Å; P276-V279 PolarHBondContact O-N 2.71Å; P276-K280 PolarHBondContact O-N 2.6Å | ||
| 277 | D | 92.6 | Very high | 90.9 | Very high | 67 Ų | 67 | 58.9 Ų | 58.9 | 36% | 0.358 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.1 | -28.1 | -178.4 | -69.8 | -38.4 | 0 | 0 | 0 | 112.2 | K280 V281 R588 | D277-K280 PolarHBondContact O-N 2.89Å; D277-K280 IonicContact OD1-NZ 3.41Å; D277-K280 PolarHBondContact OD1-NZ 2.73Å; D277-V281 WeakPolarHBondContact O-CG2 3.48Å; D277-V281 PolarHBondContact O-N 3.42Å; D277-R588 IonicContact OD2-CZ 3.36Å; D277-R588 IonicContact OD2-NH1 3.44Å; D277-R588 IonicContact OD2-NH2 2.69Å; D277-R588 PolarHBondContact OD2-NH2 2.77Å |
| 278 | S | 95.1 | Very high | 91.4 | Very high | 86 Ų | 86 | 59 Ų | 59 | 60% | 0.601 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.7 | -42.6 | 168.6 | 50.6 | 0 | 0 | 0 | 0 | 113.3 | P276 V281 A282 | P276-S278 PolarHBondContact O-N 2.97Å; S278-V281 PolarHBondContact O-N 2.76Å; S278-A282 PolarHBondContact O-N 3.43Å |
| 279 | V | 95.8 | Very high | 91.9 | Very high | 25 Ų | 25 | 61.3 Ų | 61.3 | 15% | 0.152 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.4 | -38.1 | 175.7 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | L265 I266 L271 V275 P276 V281 A282 V283 | L265-V279 HydrophobicContact CB-CG1 4.22Å; L265-V279 WeakPolarHBondContact O-CG1 3.28Å; I266-V279 HydrophobicContact CG2-CG1 3.98Å; L271-V279 HydrophobicContact CD1-CG2 4.38Å; L271-V279 HydrophobicContact CD2-CG1 4.17Å; V275-V279 HydrophobicContact CG1-CB 3.89Å; V275-V279 HydrophobicContact CG1-CG1 3.75Å; P276-V279 HydrophobicContact CB-CG2 4.21Å; P276-V279 HydrophobicContact CG-CG2 4.24Å; P276-V279 WeakPolarHBondContact O-CB 3.45Å; P276-V279 PolarHBondContact O-N 2.71Å; V279-V281 VanDerWaalsContact C-N 3.27Å; V279-V281 PolarHBondContact O-N 2.68Å; V279-A282 PolarHBondContact O-N 2.96Å; V279-V283 HydrophobicContact CG1-CG2 4.42Å; V279-V283 WeakPolarHBondContact O-CG2 3.49Å; V279-V283 PolarHBondContact O-N 2.94Å |
| 280 | K | 95.8 | Very high | 92.6 | Very high | 40 Ų | 40 | 57.1 Ų | 57.1 | 17% | 0.174 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.4 | -35.3 | 174.4 | -57.7 | -168.2 | -172.6 | 78.6 | 0 | 112.6 | H211 I215 H223 V275 P276 D277 A284 | H211-K280 HydrophobicContact CB-CD 3.72Å; H211-K280 VanDerWaalsContact CD2-CD 3.42Å; H211-K280 WeakPolarHBondContact CD2-CD 3.33Å; I215-K280 HydrophobicContact CD1-CB 4.3Å; I215-K280 HydrophobicContact CD1-CG 4.16Å; H223-K280 PolarHBondContact CE1-O 2.91Å; H223-K280 PolarHBondContact ND1-O 3.29Å; V275-K280 HydrophobicContact CB-CG 4.38Å; V275-K280 HydrophobicContact CG1-CG 3.8Å; V275-K280 PolarHBondContact O-NZ 2.84Å; P276-K280 PolarHBondContact O-N 2.6Å; D277-K280 PolarHBondContact O-N 2.89Å; D277-K280 IonicContact OD1-NZ 3.41Å; D277-K280 PolarHBondContact OD1-NZ 2.73Å; K280-A284 PolarHBondContact O-N 3.2Å; K280-A284 VanDerWaalsContact O-N 3.17Å |
| 281 | V | 97 | Very high | 93.3 | Very high | 88 Ų | 88 | 48.9 Ų | 48.9 | 53% | 0.533 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -72.5 | -41.5 | 173.9 | 171 | 0 | 0 | 0 | 0 | 111.6 | D277 S278 V279 V283 A284 A285 | D277-V281 WeakPolarHBondContact O-CG2 3.48Å; D277-V281 PolarHBondContact O-N 3.42Å; S278-V281 PolarHBondContact O-N 2.76Å; V279-V281 VanDerWaalsContact C-N 3.27Å; V279-V281 PolarHBondContact O-N 2.68Å; V281-V283 PolarHBondContact O-N 3.36Å; V281-A284 VanDerWaalsContact O-CB 3.31Å; V281-A284 WeakPolarHBondContact O-CB 3.4Å; V281-A284 PolarHBondContact O-N 3.46Å; V281-A284 VanDerWaalsContact O-N 3.12Å; V281-A285 PolarHBondContact O-N 2.71Å |
| 282 | A | 97.7 | Very high | 93.9 | Very high | 38 Ų | 38 | 53.6 Ų | 53.6 | 31% | 0.314 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L265 S278 V279 A284 A285 L286 | L265-A282 HydrophobicContact CD1-CB 3.71Å; S278-A282 PolarHBondContact O-N 3.43Å; V279-A282 PolarHBondContact O-N 2.96Å; A282-A284 VanDerWaalsContact C-N 3.32Å; A282-A284 PolarHBondContact O-N 3.28Å; A282-A285 PolarHBondContact O-N 3.27Å; A282-L286 PolarHBondContact O-N 2.93Å |
| 283 | V | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 171.5 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | I215 W262 L265 I266 V279 V281 K287 | I215-V283 HydrophobicContact CD1-CG1 4.38Å; I215-V283 HydrophobicContact CG1-CG1 4.48Å; W262-V283 HydrophobicContact CB-CG1 4.31Å; W262-V283 HydrophobicContact CB-CG2 4.3Å; W262-V283 HydrophobicContact CG-CG1 3.97Å; L265-V283 HydrophobicContact CB-CG2 4.17Å; L265-V283 HydrophobicContact CD1-CG2 3.99Å; I266-V283 HydrophobicContact CG2-CG2 3.79Å; V279-V283 HydrophobicContact CG1-CG2 4.42Å; V279-V283 WeakPolarHBondContact O-CG2 3.49Å; V279-V283 PolarHBondContact O-N 2.94Å; V281-V283 PolarHBondContact O-N 3.36Å; V283-K287 HydrophobicContact CG1-CD 4.18Å; V283-K287 WeakPolarHBondContact O-CG 3.3Å; V283-K287 PolarHBondContact O-N 2.86Å |
| 284 | A | 98.1 | Very high | 95.7 | Very high | 19 Ų | 19 | 52.1 Ų | 52.1 | 16% | 0.157 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | H223 K280 V281 A282 K287 E288 | H223-A284 HydrophobicContact CB-CB 3.74Å; H223-A284 WeakPolarHBondContact ND1-CB 3.4Å; K280-A284 PolarHBondContact O-N 3.2Å; K280-A284 VanDerWaalsContact O-N 3.17Å; V281-A284 VanDerWaalsContact O-CB 3.31Å; V281-A284 WeakPolarHBondContact O-CB 3.4Å; V281-A284 PolarHBondContact O-N 3.46Å; V281-A284 VanDerWaalsContact O-N 3.12Å; A282-A284 VanDerWaalsContact C-N 3.32Å; A282-A284 PolarHBondContact O-N 3.28Å; A284-K287 PolarHBondContact O-N 3.3Å; A284-E288 WeakPolarHBondContact O-CB 3.35Å; A284-E288 PolarHBondContact O-N 3.41Å |
| 285 | A | 98.2 | Very high | 96.3 | Very high | 62 Ų | 62 | 48.2 Ų | 48.2 | 51% | 0.512 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.1 | V281 A282 E288 K289 | V281-A285 PolarHBondContact O-N 2.71Å; A282-A285 PolarHBondContact O-N 3.27Å; A285-E288 PolarHBondContact O-N 3.31Å; A285-K289 PolarHBondContact O-N 2.97Å |
| 286 | L | 98 | Very high | 96.7 | Very high | 48 Ų | 48 | 50.3 Ų | 50.3 | 25% | 0.251 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 173.6 | -71.9 | -178.6 | 0 | 0 | 0 | 111.9 | W262 L265 A282 E288 K289 T290 | W262-L286 HydrophobicContact CB-CB 4.05Å; W262-L286 HydrophobicContact CB-CD1 3.73Å; W262-L286 HydrophobicContact CE3-CB 4.27Å; L265-L286 HydrophobicContact CD1-CD1 3.65Å; L265-L286 HydrophobicContact CG-CD1 4.34Å; A282-L286 PolarHBondContact O-N 2.93Å; L286-E288 VanDerWaalsContact C-N 3.29Å; L286-E288 PolarHBondContact O-N 3.01Å; L286-K289 PolarHBondContact O-N 3.27Å; L286-K289 VanDerWaalsContact O-N 3.16Å; L286-T290 WeakPolarHBondContact O-CB 3.07Å; L286-T290 PolarHBondContact O-N 3.34Å; L286-T290 PolarHBondContact O-OG1 3.47Å |
| 287 | K | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57 | -41.5 | 174.1 | -79 | 174.8 | 176.7 | 177.3 | 0 | 112.5 | I215 E216 C218 R220 H223 Y239 W262 V283 A284 T290 M291 | I215-K287 PolarHBondContact O-NZ 2.81Å; E216-K287 VanDerWaalsContact O-CE 3.25Å; E216-K287 WeakPolarHBondContact O-CE 3.42Å; E216-K287 PolarHBondContact O-NZ 3.33Å; C218-K287 PolarHBondContact O-NZ 2.85Å; R220-K287 HydrophobicContact CG-CB 3.97Å; H223-K287 PolarHBondContact NE2-NZ 2.95Å; Y239-K287 HydrophobicContact CE2-CD 3.83Å; Y239-K287 HydrophobicContact CE2-CG 4.2Å; W262-K287 HydrophobicContact CD2-CG 3.85Å; W262-K287 HydrophobicContact CE3-CG 3.68Å; W262-K287 HydrophobicContact CH2-CG 3.67Å; W262-K287 HydrophobicContact CZ2-CD 4.25Å; W262-K287 VanDerWaalsContact CZ2-CE 3.4Å; W262-K287 HydrophobicContact CZ2-CG 3.8Å; W262-K287 HydrophobicContact CZ3-CB 4.4Å; W262-K287 HydrophobicContact CZ3-CG 3.59Å; V283-K287 HydrophobicContact CG1-CD 4.18Å; V283-K287 WeakPolarHBondContact O-CG 3.3Å; V283-K287 PolarHBondContact O-N 2.86Å; A284-K287 PolarHBondContact O-N 3.3Å; K287-T290 PolarHBondContact O-N 3.42Å; K287-M291 WeakPolarHBondContact O-CB 3.49Å; K287-M291 WeakPolarHBondContact O-CG 3.34Å; K287-M291 PolarHBondContact O-N 3.34Å |
| 288 | E | 97.9 | Very high | 96.9 | Very high | 63 Ų | 63 | 44.7 Ų | 44.7 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.7 | -37.3 | 176.6 | 178.4 | 64.1 | 179.6 | 0 | 0 | 112.9 | R220 A284 A285 L286 K292 | R220-E288 VanDerWaalsContact CD-OE2 3.29Å; R220-E288 WeakPolarHBondContact CD-OE2 3.25Å; R220-E288 IonicContact CZ-OE2 2.68Å; R220-E288 IonicContact NE-OE2 3.54Å; R220-E288 IonicContact NH1-OE2 2.73Å; R220-E288 PolarHBondContact NH1-OE2 3.09Å; A284-E288 WeakPolarHBondContact O-CB 3.35Å; A284-E288 PolarHBondContact O-N 3.41Å; A285-E288 PolarHBondContact O-N 3.31Å; L286-E288 VanDerWaalsContact C-N 3.29Å; L286-E288 PolarHBondContact O-N 3.01Å; E288-K292 WeakPolarHBondContact O-CG 3.15Å; E288-K292 PolarHBondContact O-N 3.47Å; E288-K292 WeakPolarHBondContact OE1-CE 3.47Å; E288-K292 IonicContact OE1-NZ 2.8Å; E288-K292 PolarHBondContact OE1-NZ 3.16Å |
| 289 | K | 97.4 | Very high | 96.9 | Very high | 116 Ų | 116 | 44.3 Ų | 44.3 | 50% | 0.504 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.3 | -50.9 | 170.1 | -170.1 | -157.6 | 178.1 | -142.2 | 0 | 110.8 | A285 L286 M291 K292 N293 E296 | A285-K289 PolarHBondContact O-N 2.97Å; L286-K289 PolarHBondContact O-N 3.27Å; L286-K289 VanDerWaalsContact O-N 3.16Å; K289-M291 PolarHBondContact O-N 2.92Å; K289-K292 WeakPolarHBondContact O-CB 3.45Å; K289-K292 PolarHBondContact O-N 3.36Å; K289-N293 PolarHBondContact O-N 3.23Å; K289-E296 IonicContact NZ-OE1 2.8Å; K289-E296 PolarHBondContact NZ-OE1 3.13Å; K289-E296 IonicContact NZ-OE2 3.71Å |
| 290 | T | 97.4 | Very high | 96.7 | Very high | 10 Ų | 10 | 48.6 Ų | 48.6 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.1 | -45.2 | -176.5 | -62.3 | 0 | 0 | 0 | 0 | 112.2 | P261 W262 L286 K287 K292 N293 F297 | P261-T290 HydrophobicContact CG-CG2 4.32Å; W262-T290 HydrophobicContact CZ3-CG2 4.08Å; L286-T290 WeakPolarHBondContact O-CB 3.07Å; L286-T290 PolarHBondContact O-N 3.34Å; L286-T290 PolarHBondContact O-OG1 3.47Å; K287-T290 PolarHBondContact O-N 3.42Å; T290-K292 VanDerWaalsContact C-N 3.28Å; T290-K292 PolarHBondContact O-N 3.17Å; T290-N293 CarbonylContact O-C 3.13Å; T290-N293 PolarHBondContact O-N 3.12Å; T290-N293 VanDerWaalsContact O-N 3.13Å; T290-F297 HydrophobicContact CG2-CB 3.59Å; T290-F297 HydrophobicContact CG2-CD1 3.49Å; T290-F297 VanDerWaalsContact CG2-CD1 3.49Å; T290-F297 HydrophobicContact CG2-CD2 3.45Å; T290-F297 VanDerWaalsContact CG2-CD2 3.45Å; T290-F297 HydrophobicContact CG2-CE1 3.95Å; T290-F297 HydrophobicContact CG2-CE2 3.93Å; T290-F297 HydrophobicContact CG2-CG 3.21Å; T290-F297 HydrophobicContact CG2-CZ 4.16Å |
| 291 | M | 96.9 | Very high | 96.5 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 3% | 0.034 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -75.6 | -13.7 | -179.6 | -62.5 | -55.2 | -87.1 | 0 | 0 | 113.9 | E235 V238 Y239 K287 K289 F297 I313 T317 | E235-M291 HydrophobicContact CG-CE 3.96Å; V238-M291 HydrophobicContact CG1-CE 4.11Å; V238-M291 HydrophobicContact CG1-SD 4.41Å; Y239-M291 HydrophobicContact CE1-CE 4.36Å; Y239-M291 HydrophobicContact CE1-CG 4.05Å; Y239-M291 HydrophobicContact CE1-SD 3.6Å; Y239-M291 VanDerWaalsContact CE1-SD 3.6Å; Y239-M291 VanDerWaalsContact OH-CG 3.31Å; Y239-M291 WeakPolarHBondContact OH-CG 3.21Å; K287-M291 WeakPolarHBondContact O-CB 3.49Å; K287-M291 WeakPolarHBondContact O-CG 3.34Å; K287-M291 PolarHBondContact O-N 3.34Å; K289-M291 PolarHBondContact O-N 2.92Å; M291-F297 HydrophobicContact SD-CE1 4.47Å; M291-I313 HydrophobicContact CE-CG2 4.25Å; M291-T317 HydrophobicContact CB-CG2 4.24Å; M291-T317 HydrophobicContact CE-CG2 3.67Å; M291-T317 WeakPolarHBondContact O-CG2 3.42Å; M291-T317 HydrophobicContact SD-CG2 4.43Å |
| 292 | K | 96.8 | Very high | 96.3 | Very high | 149 Ų | 149 | 46.3 Ų | 46.3 | 65% | 0.648 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -77.7 | -26.5 | 166.7 | -79.3 | 171.8 | 177.4 | 157 | 0 | 113 | E288 K289 T290 P294 | E288-K292 WeakPolarHBondContact O-CG 3.15Å; E288-K292 PolarHBondContact O-N 3.47Å; E288-K292 WeakPolarHBondContact OE1-CE 3.47Å; E288-K292 IonicContact OE1-NZ 2.8Å; E288-K292 PolarHBondContact OE1-NZ 3.16Å; K289-K292 WeakPolarHBondContact O-CB 3.45Å; K289-K292 PolarHBondContact O-N 3.36Å; T290-K292 VanDerWaalsContact C-N 3.28Å; T290-K292 PolarHBondContact O-N 3.17Å; K292-P294 VanDerWaalsContact C-CD 3.5Å; K292-P294 WeakPolarHBondContact O-CD 3.4Å |
| 293 | N | 96.8 | Very high | 96 | Very high | 65 Ų | 65 | 45.2 Ų | 45.2 | 35% | 0.348 | 26% | 0.263 | S | S | . | . | trans | -123.5 | 72.1 | 176.8 | -164.1 | -4.8 | 0 | 0 | 0 | 112 | K289 T290 A295 E296 F297 | K289-N293 PolarHBondContact O-N 3.23Å; T290-N293 CarbonylContact O-C 3.13Å; T290-N293 PolarHBondContact O-N 3.12Å; T290-N293 VanDerWaalsContact O-N 3.13Å; N293-A295 PolarHBondContact O-N 2.94Å; N293-E296 HydrophobicContact CB-CB 3.98Å; N293-E296 WeakPolarHBondContact ND2-CB 3.17Å; N293-E296 PolarHBondContact ND2-OE2 3.04Å; N293-E296 PolarHBondContact O-N 2.97Å; N293-E296 PolarHBondContact OD1-N 3.38Å; N293-F297 PolarHBondContact O-N 3.31Å; N293-F297 VanDerWaalsContact O-N 3.07Å | ||
| 294 | P | 96.5 | Very high | 95.5 | Very high | 15 Ų | 15 | 47.6 Ų | 47.6 | 10% | 0.097 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.1 | -23.4 | -178.7 | 27 | -35.4 | 0 | 0 | 0 | 113.1 | K292 F297 V298 L310 I313 Q314 | K292-P294 VanDerWaalsContact C-CD 3.5Å; K292-P294 WeakPolarHBondContact O-CD 3.4Å; P294-F297 PolarHBondContact O-N 3.33Å; P294-V298 WeakPolarHBondContact O-CB 3.44Å; P294-V298 VanDerWaalsContact O-CG2 3.3Å; P294-V298 WeakPolarHBondContact O-CG2 3.48Å; P294-V298 PolarHBondContact O-N 2.92Å; P294-L310 HydrophobicContact CB-CD1 4.12Å; P294-L310 HydrophobicContact CG-CD1 4.46Å; P294-I313 HydrophobicContact CB-CB 4.4Å; P294-I313 HydrophobicContact CB-CG2 3.7Å; P294-Q314 HydrophobicContact CB-CG 4.33Å; P294-Q314 HydrophobicContact CG-CG 3.81Å |
| 295 | A | 96.5 | Very high | 95.1 | Very high | 47 Ų | 47 | 50.8 Ų | 50.8 | 39% | 0.388 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.4 | -46 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N293 F297 V298 S299 L310 | N293-A295 PolarHBondContact O-N 2.94Å; A295-F297 VanDerWaalsContact C-N 3.31Å; A295-F297 PolarHBondContact O-N 3.04Å; A295-V298 PolarHBondContact O-N 2.95Å; A295-S299 VanDerWaalsContact O-CB 3.26Å; A295-S299 WeakPolarHBondContact O-CB 3.36Å; A295-S299 PolarHBondContact O-N 3.06Å; A295-L310 HydrophobicContact CB-CD1 4.18Å; A295-L310 HydrophobicContact CB-CD2 4.4Å |
| 296 | E | 96.1 | Very high | 94.9 | Very high | 57 Ų | 57 | 48 Ų | 48 | 27% | 0.266 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.7 | -42.7 | 171.1 | 174.3 | -174.1 | 165.6 | 0 | 0 | 111 | K289 N293 S299 Q300 | K289-E296 IonicContact NZ-OE1 2.8Å; K289-E296 PolarHBondContact NZ-OE1 3.13Å; K289-E296 IonicContact NZ-OE2 3.71Å; N293-E296 HydrophobicContact CB-CB 3.98Å; N293-E296 WeakPolarHBondContact ND2-CB 3.17Å; N293-E296 PolarHBondContact ND2-OE2 3.04Å; N293-E296 PolarHBondContact O-N 2.97Å; N293-E296 PolarHBondContact OD1-N 3.38Å; E296-S299 PolarHBondContact O-N 2.81Å; E296-Q300 HydrophobicContact CG-CG 4.37Å; E296-Q300 WeakPolarHBondContact O-CB 3.3Å; E296-Q300 VanDerWaalsContact O-CG 3.28Å; E296-Q300 WeakPolarHBondContact O-CG 3.31Å; E296-Q300 PolarHBondContact O-N 3.32Å; E296-Q300 PolarHBondContact OE1-NE2 3.09Å |
| 297 | F | 96.2 | Very high | 94.8 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.009 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.4 | -49.1 | 179.4 | -174.2 | -154.8 | 0 | 0 | 0 | 113 | V238 Y239 I242 P261 W262 T290 M291 N293 P294 A295 S299 Q300 A301 I313 | V238-F297 HydrophobicContact CG1-CE1 3.94Å; Y239-F297 HydrophobicContact CD1-CE1 4.21Å; Y239-F297 HydrophobicContact CD1-CZ 4.21Å; Y239-F297 HydrophobicContact CE1-CE1 4.48Å; I242-F297 HydrophobicContact CB-CE2 4.31Å; I242-F297 HydrophobicContact CB-CZ 3.96Å; I242-F297 HydrophobicContact CG1-CE1 3.99Å; I242-F297 HydrophobicContact CG1-CE2 4.2Å; I242-F297 HydrophobicContact CG1-CZ 3.7Å; I242-F297 HydrophobicContact CG2-CE2 3.81Å; I242-F297 HydrophobicContact CG2-CZ 3.98Å; P261-F297 HydrophobicContact CG-CD2 4.14Å; P261-F297 HydrophobicContact CG-CE2 4.18Å; W262-F297 HydrophobicContact CH2-CZ 4.49Å; T290-F297 HydrophobicContact CG2-CB 3.59Å; T290-F297 HydrophobicContact CG2-CD1 3.49Å; T290-F297 VanDerWaalsContact CG2-CD1 3.49Å; T290-F297 HydrophobicContact CG2-CD2 3.45Å; T290-F297 VanDerWaalsContact CG2-CD2 3.45Å; T290-F297 HydrophobicContact CG2-CE1 3.95Å; T290-F297 HydrophobicContact CG2-CE2 3.93Å; T290-F297 HydrophobicContact CG2-CG 3.21Å; T290-F297 HydrophobicContact CG2-CZ 4.16Å; M291-F297 HydrophobicContact SD-CE1 4.47Å; N293-F297 PolarHBondContact O-N 3.31Å; N293-F297 VanDerWaalsContact O-N 3.07Å; P294-F297 PolarHBondContact O-N 3.33Å; A295-F297 VanDerWaalsContact C-N 3.31Å; A295-F297 PolarHBondContact O-N 3.04Å; F297-S299 VanDerWaalsContact C-N 3.3Å; F297-S299 PolarHBondContact O-N 2.95Å; F297-Q300 PolarHBondContact O-N 3.02Å; F297-A301 WeakPolarHBondContact O-CB 3.34Å; F297-A301 PolarHBondContact O-N 2.68Å; F297-I313 HydrophobicContact CD1-CD1 4.02Å; F297-I313 HydrophobicContact CE1-CD1 4.2Å |
| 298 | V | 95.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.1 | -33.9 | 179.2 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | P294 A295 Y303 G304 I309 L310 I313 | P294-V298 WeakPolarHBondContact O-CB 3.44Å; P294-V298 VanDerWaalsContact O-CG2 3.3Å; P294-V298 WeakPolarHBondContact O-CG2 3.48Å; P294-V298 PolarHBondContact O-N 2.92Å; A295-V298 PolarHBondContact O-N 2.95Å; V298-Y303 VanDerWaalsContact CG1-C 3.49Å; V298-Y303 VanDerWaalsContact CG1-O 3.3Å; V298-Y303 WeakPolarHBondContact CG1-O 3.3Å; V298-Y303 CarbonylContact O-C 3.54Å; V298-Y303 WeakPolarHBondContact O-CA 3.49Å; V298-Y303 PolarHBondContact O-N 2.84Å; V298-G304 PolarHBondContact O-N 2.87Å; V298-G304 VanDerWaalsContact O-N 3.13Å; V298-I309 HydrophobicContact CG1-CG2 4.01Å; V298-I309 HydrophobicContact CG2-CG2 4.01Å; V298-L310 HydrophobicContact CG2-CD1 4.35Å; V298-I313 HydrophobicContact CG2-CD1 3.63Å |
| 299 | S | 95.2 | Very high | 94.8 | Very high | 77 Ų | 77 | 48.1 Ų | 48.1 | 54% | 0.538 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.9 | -48.4 | 173.1 | -167.3 | 0 | 0 | 0 | 0 | 112.4 | A295 E296 F297 A301 G302 | A295-S299 VanDerWaalsContact O-CB 3.26Å; A295-S299 WeakPolarHBondContact O-CB 3.36Å; A295-S299 PolarHBondContact O-N 3.06Å; E296-S299 PolarHBondContact O-N 2.81Å; F297-S299 VanDerWaalsContact C-N 3.3Å; F297-S299 PolarHBondContact O-N 2.95Å; S299-A301 PolarHBondContact O-N 3.48Å; S299-G302 PolarHBondContact O-N 3.48Å |
| 300 | Q | 92.1 | Very high | 94.8 | Very high | 115 Ų | 115 | 44.6 Ų | 44.6 | 54% | 0.537 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61 | -28.3 | 176.1 | -76.1 | 171.2 | 1.4 | 0 | 0 | 113 | E296 F297 G302 | E296-Q300 HydrophobicContact CG-CG 4.37Å; E296-Q300 WeakPolarHBondContact O-CB 3.3Å; E296-Q300 VanDerWaalsContact O-CG 3.28Å; E296-Q300 WeakPolarHBondContact O-CG 3.31Å; E296-Q300 PolarHBondContact O-N 3.32Å; E296-Q300 PolarHBondContact OE1-NE2 3.09Å; F297-Q300 PolarHBondContact O-N 3.02Å; Q300-G302 VanDerWaalsContact C-N 3.25Å; Q300-G302 PolarHBondContact O-N 3.11Å |
| 301 | A | 90.8 | Very high | 94.9 | Very high | 16 Ų | 16 | 45.3 Ų | 45.3 | 13% | 0.132 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -5.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | I242 F297 S299 Y303 | I242-A301 HydrophobicContact CD1-CB 3.92Å; I242-A301 HydrophobicContact CG2-CB 3.67Å; F297-A301 WeakPolarHBondContact O-CB 3.34Å; F297-A301 PolarHBondContact O-N 2.68Å; S299-A301 PolarHBondContact O-N 3.48Å; A301-Y303 HydrophobicContact CB-CD2 4.04Å; A301-Y303 WeakPolarHBondContact O-CD2 3.44Å; A301-Y303 VanDerWaalsContact O-CE2 3.32Å; A301-Y303 WeakPolarHBondContact O-CE2 3.32Å |
| 302 | G | 91.9 | Very high | 94.9 | Very high | 64 Ų | 64 | 45 Ų | 45 | 66% | 0.66 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | -0.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S299 Q300 | S299-G302 PolarHBondContact O-N 3.48Å; Q300-G302 VanDerWaalsContact C-N 3.25Å; Q300-G302 PolarHBondContact O-N 3.11Å |
| 303 | Y | 92.1 | Very high | 95 | Very high | 16 Ų | 16 | 38 Ų | 38 | 6% | 0.063 | 25% | 0.253 | C | S | . | . | trans | -101.3 | 11.9 | -173.9 | -68.5 | -84.2 | 0 | 0 | 0 | 113.8 | T142 L245 H249 V298 A301 S305 N306 I309 L341 | T142-Y303 HydrophobicContact CG2-CE1 4.49Å; L245-Y303 HydrophobicContact CB-CE2 3.76Å; L245-Y303 HydrophobicContact CD1-CD2 4.25Å; L245-Y303 HydrophobicContact CD1-CE1 4.32Å; L245-Y303 HydrophobicContact CD1-CE2 4.09Å; L245-Y303 HydrophobicContact CD2-CE1 4.38Å; L245-Y303 HydrophobicContact CG-CE2 4.44Å; H249-Y303 PolarHBondContact NE2-OH 3.22Å; V298-Y303 VanDerWaalsContact CG1-C 3.49Å; V298-Y303 VanDerWaalsContact CG1-O 3.3Å; V298-Y303 WeakPolarHBondContact CG1-O 3.3Å; V298-Y303 CarbonylContact O-C 3.54Å; V298-Y303 WeakPolarHBondContact O-CA 3.49Å; V298-Y303 PolarHBondContact O-N 2.84Å; A301-Y303 HydrophobicContact CB-CD2 4.04Å; A301-Y303 WeakPolarHBondContact O-CD2 3.44Å; A301-Y303 VanDerWaalsContact O-CE2 3.32Å; A301-Y303 WeakPolarHBondContact O-CE2 3.32Å; Y303-S305 PolarHBondContact O-N 2.99Å; Y303-N306 WeakPolarHBondContact O-CB 3.47Å; Y303-N306 PolarHBondContact O-N 3.01Å; Y303-I309 HydrophobicContact CD1-CD1 3.67Å; Y303-I309 HydrophobicContact CE1-CD1 4.48Å; Y303-I309 HydrophobicContact CG-CD1 4.03Å; Y303-L341 HydrophobicContact CD1-CD1 4.18Å; Y303-L341 HydrophobicContact CD1-CD2 4.33Å; Y303-L341 HydrophobicContact CE1-CD1 3.88Å; Y303-L341 HydrophobicContact CE1-CD2 4.17Å | ||
| 304 | G | 88 | Confident | 95.1 | Very high | 49 Ų | 49 | 38.1 Ų | 38.1 | 51% | 0.505 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -20.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | V298 | V298-G304 PolarHBondContact O-N 2.87Å; V298-G304 VanDerWaalsContact O-N 3.13Å |
| 305 | S | 89.1 | Confident | 95.1 | Very high | 87 Ų | 87 | 39.6 Ų | 39.6 | 61% | 0.608 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 13.5 | 174.2 | 70.3 | 0 | 0 | 0 | 0 | 114.7 | Y303 K344 | Y303-S305 PolarHBondContact O-N 2.99Å; S305-K344 PolarHBondContact O-NZ 3.46Å; S305-K344 PolarHBondContact OG-NZ 3.47Å; S305-K344 VanDerWaalsContact OG-NZ 3.12Å |
| 306 | N | 94.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.011 | 25% | 0.245 | C | C | . | . | trans | -115.3 | 101.7 | 177.6 | -170.7 | -49 | 0 | 0 | 0 | 110.2 | Y303 D308 I309 L310 | Y303-N306 WeakPolarHBondContact O-CB 3.47Å; Y303-N306 PolarHBondContact O-N 3.01Å; N306-D308 VanDerWaalsContact C-N 3.31Å; N306-D308 PolarHBondContact O-N 3.2Å; N306-D308 PolarHBondContact OD1-N 2.85Å; N306-I309 HydrophobicContact CB-CB 4.32Å; N306-I309 HydrophobicContact CB-CD1 4.06Å; N306-I309 HydrophobicContact CB-CG1 4.3Å; N306-I309 WeakPolarHBondContact OD1-CG1 3.43Å; N306-I309 PolarHBondContact OD1-N 3.19Å; N306-L310 PolarHBondContact O-N 2.84Å | ||
| 307 | P | 96.4 | Very high | 95.3 | Very high | 86 Ų | 86 | 36.8 Ų | 36.8 | 56% | 0.558 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -69.3 | -28.6 | -175.6 | 28.6 | -34.5 | 0 | 0 | 0 | 112.6 | L310 A311 | P307-L310 PolarHBondContact O-N 2.97Å; P307-A311 VanDerWaalsContact O-CB 3.32Å; P307-A311 WeakPolarHBondContact O-CB 2.98Å; P307-A311 PolarHBondContact O-N 2.99Å |
| 308 | D | 98 | Very high | 95.3 | Very high | 28 Ų | 28 | 44 Ų | 44 | 15% | 0.15 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -74.6 | -35.9 | -178.1 | -59.2 | -89.4 | 0 | 0 | 0 | 112.7 | N306 L310 A311 F312 L333 N336 A337 | N306-D308 VanDerWaalsContact C-N 3.31Å; N306-D308 PolarHBondContact O-N 3.2Å; N306-D308 PolarHBondContact OD1-N 2.85Å; D308-L310 VanDerWaalsContact C-N 3.34Å; D308-A311 PolarHBondContact O-N 2.52Å; D308-F312 VanDerWaalsContact O-CB 3.27Å; D308-F312 WeakPolarHBondContact O-CB 3.33Å; D308-F312 PolarHBondContact O-N 3.28Å; D308-L333 HydrophobicContact CB-CB 4.44Å; D308-L333 HydrophobicContact CB-CD2 4.05Å; D308-L333 WeakPolarHBondContact CB-O 3.31Å; D308-N336 HydrophobicContact CB-CB 3.94Å; D308-N336 WeakPolarHBondContact OD1-CB 3.3Å; D308-N336 PolarHBondContact OD1-ND2 2.66Å; D308-A337 HydrophobicContact CB-CB 4.21Å |
| 309 | I | 97.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 170.3 | -67.5 | 174.6 | 0 | 0 | 0 | 110.3 | L245 V298 Y303 N306 F312 I313 A337 L341 | L245-I309 HydrophobicContact CD1-CD1 4.22Å; V298-I309 HydrophobicContact CG1-CG2 4.01Å; V298-I309 HydrophobicContact CG2-CG2 4.01Å; Y303-I309 HydrophobicContact CD1-CD1 3.67Å; Y303-I309 HydrophobicContact CE1-CD1 4.48Å; Y303-I309 HydrophobicContact CG-CD1 4.03Å; N306-I309 HydrophobicContact CB-CB 4.32Å; N306-I309 HydrophobicContact CB-CD1 4.06Å; N306-I309 HydrophobicContact CB-CG1 4.3Å; N306-I309 WeakPolarHBondContact OD1-CG1 3.43Å; N306-I309 PolarHBondContact OD1-N 3.19Å; I309-F312 PolarHBondContact O-N 3.13Å; I309-I313 PolarHBondContact O-N 3.14Å; I309-A337 HydrophobicContact CD1-CB 4.28Å; I309-A337 HydrophobicContact CG1-CB 3.74Å; I309-L341 HydrophobicContact CD1-CD1 4.31Å |
| 310 | L | 97.9 | Very high | 95.6 | Very high | 42 Ų | 42 | 46.2 Ų | 46.2 | 22% | 0.22 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 175.1 | 178.7 | 56.6 | 0 | 0 | 0 | 111.7 | P294 A295 V298 N306 P307 D308 F312 I313 Q314 | P294-L310 HydrophobicContact CB-CD1 4.12Å; P294-L310 HydrophobicContact CG-CD1 4.46Å; A295-L310 HydrophobicContact CB-CD1 4.18Å; A295-L310 HydrophobicContact CB-CD2 4.4Å; V298-L310 HydrophobicContact CG2-CD1 4.35Å; N306-L310 PolarHBondContact O-N 2.84Å; P307-L310 PolarHBondContact O-N 2.97Å; D308-L310 VanDerWaalsContact C-N 3.34Å; L310-F312 VanDerWaalsContact C-N 3.32Å; L310-F312 PolarHBondContact O-N 2.93Å; L310-I313 PolarHBondContact O-N 2.82Å; L310-Q314 HydrophobicContact CD1-CG 4.12Å; L310-Q314 HydrophobicContact CG-CG 4.44Å; L310-Q314 WeakPolarHBondContact O-CB 3.49Å; L310-Q314 VanDerWaalsContact O-CG 3.29Å; L310-Q314 WeakPolarHBondContact O-CG 3.46Å; L310-Q314 PolarHBondContact O-N 3.35Å |
| 311 | A | 98.3 | Very high | 95.9 | Very high | 25 Ų | 25 | 40.7 Ų | 40.7 | 21% | 0.207 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.8 | -36.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P307 D308 Q314 S315 L333 | P307-A311 VanDerWaalsContact O-CB 3.32Å; P307-A311 WeakPolarHBondContact O-CB 2.98Å; P307-A311 PolarHBondContact O-N 2.99Å; D308-A311 PolarHBondContact O-N 2.52Å; A311-Q314 PolarHBondContact O-N 3.21Å; A311-S315 WeakPolarHBondContact O-CB 3.43Å; A311-S315 PolarHBondContact O-N 2.8Å; A311-S315 PolarHBondContact O-OG 2.8Å; A311-L333 HydrophobicContact CB-CD1 4.11Å; A311-L333 HydrophobicContact CB-CD2 3.78Å |
| 312 | F | 98.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.1 | -49.3 | 176 | 173.4 | -96.3 | 0 | 0 | 0 | 111.2 | L153 L237 V238 L241 D308 I309 L310 S315 I316 L330 L333 L334 | L153-F312 HydrophobicContact CD1-CE2 4.17Å; L237-F312 HydrophobicContact CD2-CZ 4.46Å; V238-F312 HydrophobicContact CG2-CD1 4.29Å; V238-F312 HydrophobicContact CG2-CE1 3.8Å; L241-F312 HydrophobicContact CD2-CD1 3.9Å; L241-F312 HydrophobicContact CD2-CE1 3.74Å; D308-F312 VanDerWaalsContact O-CB 3.27Å; D308-F312 WeakPolarHBondContact O-CB 3.33Å; D308-F312 PolarHBondContact O-N 3.28Å; I309-F312 PolarHBondContact O-N 3.13Å; L310-F312 VanDerWaalsContact C-N 3.32Å; L310-F312 PolarHBondContact O-N 2.93Å; F312-S315 PolarHBondContact O-N 3.37Å; F312-I316 HydrophobicContact CD1-CD1 4.13Å; F312-I316 HydrophobicContact CD2-CD1 4.44Å; F312-I316 HydrophobicContact CE1-CD1 3.69Å; F312-I316 HydrophobicContact CE2-CD1 4.01Å; F312-I316 HydrophobicContact CG-CD1 4.48Å; F312-I316 HydrophobicContact CZ-CD1 3.62Å; F312-I316 WeakPolarHBondContact O-CG1 3.31Å; F312-I316 PolarHBondContact O-N 3.29Å; F312-L330 HydrophobicContact CD2-CB 4.17Å; F312-L330 HydrophobicContact CD2-CD2 3.66Å; F312-L330 HydrophobicContact CE2-CB 4Å; F312-L330 HydrophobicContact CE2-CD2 3.92Å; F312-L330 HydrophobicContact CE2-CG 4.45Å; F312-L330 HydrophobicContact CG-CD2 4.43Å; F312-L333 HydrophobicContact CB-CB 4.14Å; F312-L333 HydrophobicContact CB-CD1 4.35Å; F312-L334 HydrophobicContact CD1-CD2 4.33Å; F312-L334 HydrophobicContact CD2-CD2 3.87Å; F312-L334 HydrophobicContact CD2-CG 3.97Å; F312-L334 HydrophobicContact CE1-CD2 4.34Å; F312-L334 HydrophobicContact CE2-CD1 4Å; F312-L334 HydrophobicContact CE2-CD2 3.9Å; F312-L334 HydrophobicContact CE2-CG 3.86Å; F312-L334 HydrophobicContact CG-CD2 4.1Å; F312-L334 HydrophobicContact CZ-CD1 4.36Å; F312-L334 HydrophobicContact CZ-CD2 4.14Å; F312-L334 HydrophobicContact CZ-CG 4.45Å |
| 313 | I | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66 | -42.2 | 176.6 | -60.9 | -175.2 | 0 | 0 | 0 | 110.8 | V238 I242 M291 P294 F297 V298 I309 L310 S315 I316 T317 | V238-I313 HydrophobicContact CG1-CD1 3.7Å; V238-I313 HydrophobicContact CG1-CG1 3.76Å; V238-I313 HydrophobicContact CG1-CG2 4.12Å; V238-I313 HydrophobicContact CG2-CG1 4.08Å; I242-I313 HydrophobicContact CD1-CD1 4.35Å; I242-I313 HydrophobicContact CG1-CD1 4.38Å; M291-I313 HydrophobicContact CE-CG2 4.25Å; P294-I313 HydrophobicContact CB-CB 4.4Å; P294-I313 HydrophobicContact CB-CG2 3.7Å; F297-I313 HydrophobicContact CD1-CD1 4.02Å; F297-I313 HydrophobicContact CE1-CD1 4.2Å; V298-I313 HydrophobicContact CG2-CD1 3.63Å; I309-I313 PolarHBondContact O-N 3.14Å; L310-I313 PolarHBondContact O-N 2.82Å; I313-S315 VanDerWaalsContact C-N 3.32Å; I313-S315 PolarHBondContact O-N 3.41Å; I313-I316 PolarHBondContact O-N 3.24Å; I313-I316 VanDerWaalsContact O-N 3.09Å; I313-T317 HydrophobicContact CG2-CG2 4.22Å; I313-T317 PolarHBondContact O-N 2.84Å; I313-T317 PolarHBondContact O-OG1 3.26Å |
| 314 | Q | 98.1 | Very high | 96.8 | Very high | 68 Ų | 68 | 47.5 Ų | 47.5 | 32% | 0.318 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.7 | -30.4 | 177.4 | -74.6 | -179.7 | 2.7 | 0 | 0 | 114 | P294 L310 A311 I316 T317 K318 | P294-Q314 HydrophobicContact CB-CG 4.33Å; P294-Q314 HydrophobicContact CG-CG 3.81Å; L310-Q314 HydrophobicContact CD1-CG 4.12Å; L310-Q314 HydrophobicContact CG-CG 4.44Å; L310-Q314 WeakPolarHBondContact O-CB 3.49Å; L310-Q314 VanDerWaalsContact O-CG 3.29Å; L310-Q314 WeakPolarHBondContact O-CG 3.46Å; L310-Q314 PolarHBondContact O-N 3.35Å; A311-Q314 PolarHBondContact O-N 3.21Å; Q314-I316 VanDerWaalsContact C-N 3.32Å; Q314-T317 WeakPolarHBondContact CA-OG1 3.37Å; Q314-T317 PolarHBondContact O-OG1 3.14Å; Q314-K318 VanDerWaalsContact O-CD 3.27Å; Q314-K318 WeakPolarHBondContact O-CD 3.26Å; Q314-K318 VanDerWaalsContact O-CG 3.23Å; Q314-K318 WeakPolarHBondContact O-CG 3.41Å |
| 315 | S | 98.3 | Very high | 97.3 | Very high | 46 Ų | 46 | 45.6 Ų | 45.6 | 32% | 0.322 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.9 | -32.6 | 171.9 | -82.4 | 0 | 0 | 0 | 0 | 111.7 | A311 F312 I313 | A311-S315 WeakPolarHBondContact O-CB 3.43Å; A311-S315 PolarHBondContact O-N 2.8Å; A311-S315 PolarHBondContact O-OG 2.8Å; F312-S315 PolarHBondContact O-N 3.37Å; I313-S315 VanDerWaalsContact C-N 3.32Å; I313-S315 PolarHBondContact O-N 3.41Å |
| 316 | I | 98.4 | Very high | 97.7 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -81.9 | -38.8 | -179.4 | -67 | 167.3 | 0 | 0 | 0 | 111.6 | L234 V238 F312 I313 Q314 K318 L319 L330 | L234-I316 HydrophobicContact CB-CD1 4.02Å; L234-I316 HydrophobicContact CB-CG1 4.08Å; L234-I316 HydrophobicContact CB-CG2 3.83Å; L234-I316 HydrophobicContact CD1-CG1 4.42Å; V238-I316 HydrophobicContact CG2-CB 4.31Å; V238-I316 HydrophobicContact CG2-CD1 3.5Å; V238-I316 VanDerWaalsContact CG2-CD1 3.5Å; V238-I316 HydrophobicContact CG2-CG1 4.49Å; V238-I316 HydrophobicContact CG2-CG2 4.19Å; F312-I316 HydrophobicContact CD1-CD1 4.13Å; F312-I316 HydrophobicContact CD2-CD1 4.44Å; F312-I316 HydrophobicContact CE1-CD1 3.69Å; F312-I316 HydrophobicContact CE2-CD1 4.01Å; F312-I316 HydrophobicContact CG-CD1 4.48Å; F312-I316 HydrophobicContact CZ-CD1 3.62Å; F312-I316 WeakPolarHBondContact O-CG1 3.31Å; F312-I316 PolarHBondContact O-N 3.29Å; I313-I316 PolarHBondContact O-N 3.24Å; I313-I316 VanDerWaalsContact O-N 3.09Å; Q314-I316 VanDerWaalsContact C-N 3.32Å; I316-K318 PolarHBondContact O-N 3.11Å; I316-L319 PolarHBondContact O-N 3.01Å; I316-L330 HydrophobicContact CD1-CD1 4.45Å; I316-L330 HydrophobicContact CD1-CD2 4.03Å; I316-L330 HydrophobicContact CG1-CD1 4.22Å; I316-L330 HydrophobicContact CG1-CD2 3.82Å |
| 317 | T | 97 | Very high | 97.9 | Very high | 40 Ų | 40 | 46.6 Ų | 46.6 | 25% | 0.245 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65 | -22.8 | 177.9 | 53.8 | 0 | 0 | 0 | 0 | 114 | M291 I313 Q314 | M291-T317 HydrophobicContact CB-CG2 4.24Å; M291-T317 HydrophobicContact CE-CG2 3.67Å; M291-T317 WeakPolarHBondContact O-CG2 3.42Å; M291-T317 HydrophobicContact SD-CG2 4.43Å; I313-T317 HydrophobicContact CG2-CG2 4.22Å; I313-T317 PolarHBondContact O-N 2.84Å; I313-T317 PolarHBondContact O-OG1 3.26Å; Q314-T317 WeakPolarHBondContact CA-OG1 3.37Å; Q314-T317 PolarHBondContact O-OG1 3.14Å |
| 318 | K | 97.2 | Very high | 98 | Very high | 154 Ų | 154 | 45.8 Ų | 45.8 | 67% | 0.67 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -7.1 | 179.4 | -71.5 | 171.4 | -173 | 175.1 | 0 | 114.4 | Q314 I316 | Q314-K318 VanDerWaalsContact O-CD 3.27Å; Q314-K318 WeakPolarHBondContact O-CD 3.26Å; Q314-K318 VanDerWaalsContact O-CG 3.23Å; Q314-K318 WeakPolarHBondContact O-CG 3.41Å; I316-K318 PolarHBondContact O-N 3.11Å |
| 319 | L | 98.3 | Very high | 98 | Very high | 25 Ų | 25 | 50.2 Ų | 50.2 | 13% | 0.131 | 27% | 0.27 | C | S | . | . | trans | -75.5 | 125.5 | -174.9 | -65.3 | 169.9 | 0 | 0 | 0 | 112.5 | R231 L234 I316 D323 P325 | R231-L319 HydrophobicContact CB-CB 3.75Å; R231-L319 HydrophobicContact CB-CD1 4.05Å; R231-L319 WeakPolarHBondContact CD-O 3.13Å; R231-L319 PolarHBondContact NH1-O 3.39Å; L234-L319 HydrophobicContact CD1-CD1 3.86Å; I316-L319 PolarHBondContact O-N 3.01Å; L319-D323 HydrophobicContact CD2-CB 4.1Å; L319-P325 HydrophobicContact CD1-CB 4.21Å; L319-P325 HydrophobicContact CD1-CG 3.98Å; L319-P325 HydrophobicContact CD2-CB 4.36Å; L319-P325 HydrophobicContact CD2-CG 4.41Å | ||
| 320 | N | 98.1 | Very high | 98.1 | Very high | 100 Ų | 100 | 50.4 Ų | 50.4 | 54% | 0.535 | 27% | 0.271 | S | S | . | . | trans | -71.5 | 160.1 | 164.4 | -50.4 | -84.4 | 0 | 0 | 0 | 109.9 | T322 D323 | N320-T322 PolarHBondContact O-N 3.01Å; N320-T322 VanDerWaalsContact O-N 3.13Å; N320-D323 WeakPolarHBondContact CB-OD2 3.47Å; N320-D323 PolarHBondContact N-OD2 3.12Å; N320-D323 PolarHBondContact ND2-OD2 3.17Å; N320-D323 PolarHBondContact O-N 3.18Å; N320-D323 VanDerWaalsContact O-N 3.14Å | ||
| 321 | Y | 98 | Very high | 98.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -28.2 | -171.6 | -179.5 | -105.4 | 0 | 0 | 0 | 113.8 | H200 T201 E203 L226 P227 S229 R231 | H200-Y321 AromaticContact CE1-CD1 3.94Å; H200-Y321 AromaticContact CE1-CE1 3.86Å; H200-Y321 PolarHBondContact CE1-O 2.73Å; H200-Y321 AromaticContact ND1-CE1 3.9Å; H200-Y321 PolarHBondContact NE2-O 3.42Å; T201-Y321 VanDerWaalsContact O-CE1 3.32Å; T201-Y321 WeakPolarHBondContact O-CE1 3.43Å; E203-Y321 HydrophobicContact CB-CD1 3.53Å; E203-Y321 HydrophobicContact CB-CE1 3.9Å; E203-Y321 HydrophobicContact CB-CG 3.98Å; E203-Y321 HydrophobicContact CG-CD1 3.85Å; E203-Y321 HydrophobicContact CG-CD2 4.17Å; E203-Y321 HydrophobicContact CG-CE1 4.32Å; E203-Y321 HydrophobicContact CG-CG 3.75Å; E203-Y321 VanDerWaalsContact OE2-CB 3.24Å; E203-Y321 WeakPolarHBondContact OE2-CB 3.28Å; L226-Y321 HydrophobicContact CB-CE2 4.16Å; L226-Y321 HydrophobicContact CD1-CD2 4.42Å; L226-Y321 HydrophobicContact CD1-CE2 4.45Å; P227-Y321 VanDerWaalsContact CB-OH 3.3Å; P227-Y321 WeakPolarHBondContact CB-OH 3.25Å; P227-Y321 VanDerWaalsContact CD-OH 3.24Å; P227-Y321 WeakPolarHBondContact CD-OH 3.05Å; P227-Y321 VanDerWaalsContact CG-OH 3.24Å; P227-Y321 WeakPolarHBondContact CG-OH 3.37Å; P227-Y321 WeakPolarHBondContact O-CE2 3.35Å; P227-Y321 PolarHBondContact O-OH 3.09Å; P227-Y321 VanDerWaalsContact O-OH 3.09Å; S229-Y321 WeakPolarHBondContact OG-CD2 3.45Å; R231-Y321 VanDerWaalsContact NH1-N 3.11Å |
| 322 | T | 97.6 | Very high | 98.1 | Very high | 78 Ų | 78 | 53.8 Ų | 53.8 | 48% | 0.479 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -1 | -178.5 | 50.2 | 0 | 0 | 0 | 0 | 114.5 | H200 R230 N320 | H200-T322 HydrophobicContact CB-CG2 4.19Å; R230-T322 VanDerWaalsContact NH2-C 3.35Å; R230-T322 PolarHBondContact NH2-O 3.12Å; N320-T322 PolarHBondContact O-N 3.01Å; N320-T322 VanDerWaalsContact O-N 3.13Å |
| 323 | D | 98.1 | Very high | 98.1 | Very high | 52 Ų | 52 | 53.7 Ų | 53.7 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | trans | -73.6 | 154 | -169.2 | -70.8 | -7.1 | 0 | 0 | 0 | 113.3 | R230 L319 N320 P325 | R230-D323 PolarHBondContact NE-O 3.24Å; R230-D323 PolarHBondContact NH1-O 3.27Å; R230-D323 VanDerWaalsContact NH1-O 3.14Å; R230-D323 PolarHBondContact NH2-O 2.89Å; L319-D323 HydrophobicContact CD2-CB 4.1Å; N320-D323 WeakPolarHBondContact CB-OD2 3.47Å; N320-D323 PolarHBondContact N-OD2 3.12Å; N320-D323 PolarHBondContact ND2-OD2 3.17Å; N320-D323 PolarHBondContact O-N 3.18Å; N320-D323 VanDerWaalsContact O-N 3.14Å; D323-P325 WeakPolarHBondContact O-CD 3.13Å | ||
| 324 | T | 98 | Very high | 98.1 | Very high | 109 Ų | 109 | 53.8 Ų | 53.8 | 67% | 0.669 | 28% | 0.28 | S | S | * | . | trans | -93.9 | 112.6 | 166.2 | -54.8 | 0 | 0 | 0 | 0 | 108.2 | R230 | R230-T324 VanDerWaalsContact NH1-CA 3.34Å; R230-T324 PolarHBondContact NH1-OG1 3.01Å | ||
| 325 | P | 98.4 | Very high | 98.1 | Very high | 8 Ų | 8 | 57.4 Ų | 57.4 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | trans | -64.9 | 148 | 177 | -20.1 | 32.4 | 0 | 0 | 0 | 112.2 | R230 L234 L319 D323 Y327 L330 | R230-P325 HydrophobicContact CB-CG 4.1Å; L234-P325 HydrophobicContact CD1-CB 3.5Å; L234-P325 HydrophobicContact CD1-CG 3.42Å; L234-P325 VanDerWaalsContact CD1-CG 3.42Å; L319-P325 HydrophobicContact CD1-CB 4.21Å; L319-P325 HydrophobicContact CD1-CG 3.98Å; L319-P325 HydrophobicContact CD2-CB 4.36Å; L319-P325 HydrophobicContact CD2-CG 4.41Å; D323-P325 WeakPolarHBondContact O-CD 3.13Å; P325-Y327 HydrophobicContact CB-CD2 4.37Å; P325-Y327 HydrophobicContact CB-CE1 4.2Å; P325-Y327 HydrophobicContact CB-CE2 4Å; P325-Y327 WeakPolarHBondContact CD-OH 3.25Å; P325-Y327 HydrophobicContact CG-CE1 4.28Å; P325-Y327 HydrophobicContact CG-CE2 4.16Å; P325-Y327 WeakPolarHBondContact O-CD2 3.29Å; P325-Y327 WeakPolarHBondContact O-CE2 3.35Å; P325-Y327 PolarHBondContact O-N 3.35Å; P325-Y327 VanDerWaalsContact O-N 3.15Å; P325-L330 HydrophobicContact CB-CD1 4.36Å | ||
| 326 | D | 98.4 | Very high | 98 | Very high | 101 Ų | 101 | 57.5 Ų | 57.5 | 54% | 0.54 | 29% | 0.288 | S | S | . | . | trans | -81.5 | 84.7 | 165.4 | -177.3 | -7.1 | 0 | 0 | 0 | 109.7 | S328 R329 L330 | D326-S328 PolarHBondContact O-N 3.11Å; D326-S328 WeakPolarHBondContact OD1-CA 3.32Å; D326-S328 WeakPolarHBondContact OD1-CB 3.3Å; D326-S328 PolarHBondContact OD1-N 3.28Å; D326-R329 HydrophobicContact CB-CB 4.12Å; D326-R329 VanDerWaalsContact CG-CB 3.41Å; D326-R329 PolarHBondContact O-N 3.37Å; D326-R329 PolarHBondContact OD1-N 3.06Å; D326-R329 WeakPolarHBondContact OD2-CB 3.35Å; D326-L330 VanDerWaalsContact O-CG 3.32Å; D326-L330 WeakPolarHBondContact O-CG 3.37Å; D326-L330 PolarHBondContact O-N 3.49Å | ||
| 327 | Y | 98.6 | Very high | 98 | Very high | 10 Ų | 10 | 57.3 Ų | 57.3 | 4% | 0.039 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.6 | -25.9 | 177.7 | -57.5 | -87.9 | 0 | 0 | 0 | 112.4 | E157 H160 L234 P325 L330 R331 | E157-Y327 HydrophobicContact CB-CD1 3.93Å; E157-Y327 HydrophobicContact CB-CD2 4.02Å; E157-Y327 HydrophobicContact CB-CE1 4.32Å; E157-Y327 HydrophobicContact CB-CE2 4.4Å; E157-Y327 HydrophobicContact CB-CG 3.78Å; E157-Y327 HydrophobicContact CG-CD1 4.41Å; E157-Y327 HydrophobicContact CG-CD2 3.58Å; E157-Y327 HydrophobicContact CG-CE2 4.08Å; E157-Y327 HydrophobicContact CG-CG 3.78Å; E157-Y327 WeakPolarHBondContact OE1-CB 3.29Å; H160-Y327 WeakPolarHBondContact CB-OH 3.38Å; H160-Y327 AromaticContact ND1-CE1 3.89Å; H160-Y327 AromaticContact ND1-CZ 3.79Å; H160-Y327 PolarHBondContact ND1-OH 2.95Å; L234-Y327 HydrophobicContact CD1-CE1 4.37Å; L234-Y327 HydrophobicContact CD2-CE1 4.35Å; P325-Y327 HydrophobicContact CB-CD2 4.37Å; P325-Y327 HydrophobicContact CB-CE1 4.2Å; P325-Y327 HydrophobicContact CB-CE2 4Å; P325-Y327 WeakPolarHBondContact CD-OH 3.25Å; P325-Y327 HydrophobicContact CG-CE1 4.28Å; P325-Y327 HydrophobicContact CG-CE2 4.16Å; P325-Y327 WeakPolarHBondContact O-CD2 3.29Å; P325-Y327 WeakPolarHBondContact O-CE2 3.35Å; P325-Y327 PolarHBondContact O-N 3.35Å; P325-Y327 VanDerWaalsContact O-N 3.15Å; Y327-L330 PolarHBondContact O-N 3.01Å; Y327-R331 WeakPolarHBondContact O-CB 3.44Å; Y327-R331 VanDerWaalsContact O-CG 3.31Å; Y327-R331 WeakPolarHBondContact O-CG 3.16Å; Y327-R331 PolarHBondContact O-N 2.92Å; Y327-R331 PolarHBondContact O-NE 3.3Å |
| 328 | S | 98 | Very high | 97.9 | Very high | 69 Ų | 69 | 57.5 Ų | 57.5 | 48% | 0.483 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -73.2 | -43.6 | 178.5 | -67.6 | 0 | 0 | 0 | 0 | 111.8 | D326 L330 R331 Q332 | D326-S328 PolarHBondContact O-N 3.11Å; D326-S328 WeakPolarHBondContact OD1-CA 3.32Å; D326-S328 WeakPolarHBondContact OD1-CB 3.3Å; D326-S328 PolarHBondContact OD1-N 3.28Å; S328-L330 VanDerWaalsContact C-N 3.34Å; S328-R331 PolarHBondContact O-N 2.92Å; S328-R331 PolarHBondContact OG-NH2 3.22Å; S328-Q332 PolarHBondContact O-N 2.92Å |
| 329 | R | 98.3 | Very high | 97.8 | Very high | 121 Ų | 121 | 52 Ų | 52 | 46% | 0.457 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 169.7 | -179.9 | 59.8 | -179.6 | 179.5 | 3.6 | 111.8 | D326 R331 Q332 L333 | D326-R329 HydrophobicContact CB-CB 4.12Å; D326-R329 VanDerWaalsContact CG-CB 3.41Å; D326-R329 PolarHBondContact O-N 3.37Å; D326-R329 PolarHBondContact OD1-N 3.06Å; D326-R329 WeakPolarHBondContact OD2-CB 3.35Å; R329-R331 PolarHBondContact O-N 3.33Å; R329-Q332 PolarHBondContact O-N 3.45Å; R329-L333 HydrophobicContact CG-CD1 4.1Å; R329-L333 VanDerWaalsContact O-CG 3.29Å; R329-L333 WeakPolarHBondContact O-CG 3.24Å; R329-L333 PolarHBondContact O-N 2.8Å; R329-L333 VanDerWaalsContact O-N 3.07Å |
| 330 | L | 98.7 | Very high | 97.5 | Very high | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62 | -41.7 | 177 | -68.6 | 174.7 | 0 | 0 | 0 | 112.1 | L153 L234 F312 I316 P325 D326 Y327 S328 L333 L334 | L153-L330 HydrophobicContact CD1-CB 3.87Å; L153-L330 HydrophobicContact CD2-CB 4.39Å; L153-L330 HydrophobicContact CD2-CD1 4.45Å; L234-L330 HydrophobicContact CD1-CD1 3.78Å; L234-L330 HydrophobicContact CD2-CD1 4.2Å; F312-L330 HydrophobicContact CD2-CB 4.17Å; F312-L330 HydrophobicContact CD2-CD2 3.66Å; F312-L330 HydrophobicContact CE2-CB 4Å; F312-L330 HydrophobicContact CE2-CD2 3.92Å; F312-L330 HydrophobicContact CE2-CG 4.45Å; F312-L330 HydrophobicContact CG-CD2 4.43Å; I316-L330 HydrophobicContact CD1-CD1 4.45Å; I316-L330 HydrophobicContact CD1-CD2 4.03Å; I316-L330 HydrophobicContact CG1-CD1 4.22Å; I316-L330 HydrophobicContact CG1-CD2 3.82Å; P325-L330 HydrophobicContact CB-CD1 4.36Å; D326-L330 VanDerWaalsContact O-CG 3.32Å; D326-L330 WeakPolarHBondContact O-CG 3.37Å; D326-L330 PolarHBondContact O-N 3.49Å; Y327-L330 PolarHBondContact O-N 3.01Å; S328-L330 VanDerWaalsContact C-N 3.34Å; L330-L333 PolarHBondContact O-N 2.85Å; L330-L334 PolarHBondContact O-N 3.38Å |
| 331 | R | 98.3 | Very high | 97 | Very high | 48 Ų | 48 | 49.1 Ų | 49.1 | 18% | 0.181 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 172 | -79.4 | 178 | -75.4 | -112.8 | -4.3 | 112.5 | L153 N154 E157 Y327 S328 R329 L333 L334 Y335 | L153-R331 HydrophobicContact CB-CG 4.22Å; L153-R331 HydrophobicContact CD1-CG 3.86Å; N154-R331 WeakPolarHBondContact OD1-CD 3.2Å; N154-R331 PolarHBondContact OD1-NH1 2.91Å; E157-R331 VanDerWaalsContact CD-NH2 3.34Å; E157-R331 IonicContact OE1-CZ 3.52Å; E157-R331 IonicContact OE1-NH1 3.31Å; E157-R331 IonicContact OE1-NH2 3.59Å; E157-R331 PolarHBondContact OE1-NH2 2.83Å; E157-R331 IonicContact OE2-CZ 3.72Å; E157-R331 VanDerWaalsContact OE2-CZ 3.31Å; E157-R331 IonicContact OE2-NH1 3.79Å; E157-R331 PolarHBondContact OE2-NH1 3.04Å; E157-R331 IonicContact OE2-NH2 2.75Å; E157-R331 PolarHBondContact OE2-NH2 3.02Å; Y327-R331 WeakPolarHBondContact O-CB 3.44Å; Y327-R331 VanDerWaalsContact O-CG 3.31Å; Y327-R331 WeakPolarHBondContact O-CG 3.16Å; Y327-R331 PolarHBondContact O-N 2.92Å; Y327-R331 PolarHBondContact O-NE 3.3Å; S328-R331 PolarHBondContact O-N 2.92Å; S328-R331 PolarHBondContact OG-NH2 3.22Å; R329-R331 PolarHBondContact O-N 3.33Å; R331-L333 VanDerWaalsContact C-N 3.25Å; R331-L333 PolarHBondContact O-N 2.73Å; R331-L334 PolarHBondContact O-N 2.89Å; R331-Y335 PolarHBondContact O-N 3.29Å |
| 332 | Q | 98.3 | Very high | 96.3 | Very high | 89 Ų | 89 | 51.2 Ų | 51.2 | 42% | 0.416 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.9 | -39.1 | -179.7 | -171.8 | 62.5 | 54 | 0 | 0 | 111.8 | S328 R329 Y335 N336 | S328-Q332 PolarHBondContact O-N 2.92Å; R329-Q332 PolarHBondContact O-N 3.45Å; Q332-Y335 PolarHBondContact O-N 3.28Å; Q332-N336 PolarHBondContact NE2-OD1 2.89Å; Q332-N336 WeakPolarHBondContact O-CB 3.49Å; Q332-N336 PolarHBondContact O-N 3.03Å; Q332-N336 PolarHBondContact O-OD1 3.12Å; Q332-N336 VanDerWaalsContact O-OD1 3.14Å |
| 333 | L | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 177.8 | -68.3 | 167.6 | 0 | 0 | 0 | 112.3 | D308 A311 F312 R329 L330 R331 Y335 N336 A337 | D308-L333 HydrophobicContact CB-CB 4.44Å; D308-L333 HydrophobicContact CB-CD2 4.05Å; D308-L333 WeakPolarHBondContact CB-O 3.31Å; A311-L333 HydrophobicContact CB-CD1 4.11Å; A311-L333 HydrophobicContact CB-CD2 3.78Å; F312-L333 HydrophobicContact CB-CB 4.14Å; F312-L333 HydrophobicContact CB-CD1 4.35Å; R329-L333 HydrophobicContact CG-CD1 4.1Å; R329-L333 VanDerWaalsContact O-CG 3.29Å; R329-L333 WeakPolarHBondContact O-CG 3.24Å; R329-L333 PolarHBondContact O-N 2.8Å; R329-L333 VanDerWaalsContact O-N 3.07Å; L330-L333 PolarHBondContact O-N 2.85Å; R331-L333 VanDerWaalsContact C-N 3.25Å; R331-L333 PolarHBondContact O-N 2.73Å; L333-Y335 VanDerWaalsContact C-N 3.35Å; L333-Y335 PolarHBondContact O-N 3.28Å; L333-N336 PolarHBondContact O-N 2.76Å; L333-A337 WeakPolarHBondContact O-CB 3.41Å; L333-A337 PolarHBondContact O-N 3.15Å |
| 334 | L | 97.9 | Very high | 93.4 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.3 | -37.4 | 173.2 | -64 | -177.2 | 0 | 0 | 0 | 112.3 | L146 C149 A150 L153 L241 F312 L330 R331 A337 K338 | L146-L334 HydrophobicContact CD2-CD2 3.95Å; C149-L334 HydrophobicContact CB-CD1 3.7Å; A150-L334 HydrophobicContact CB-CD1 4.31Å; L153-L334 HydrophobicContact CD1-CD1 3.64Å; L153-L334 HydrophobicContact CD1-CG 4.46Å; L153-L334 HydrophobicContact CG-CD1 4.36Å; L241-L334 HydrophobicContact CD2-CD2 4Å; F312-L334 HydrophobicContact CD1-CD2 4.33Å; F312-L334 HydrophobicContact CD2-CD2 3.87Å; F312-L334 HydrophobicContact CD2-CG 3.97Å; F312-L334 HydrophobicContact CE1-CD2 4.34Å; F312-L334 HydrophobicContact CE2-CD1 4Å; F312-L334 HydrophobicContact CE2-CD2 3.9Å; F312-L334 HydrophobicContact CE2-CG 3.86Å; F312-L334 HydrophobicContact CG-CD2 4.1Å; F312-L334 HydrophobicContact CZ-CD1 4.36Å; F312-L334 HydrophobicContact CZ-CD2 4.14Å; F312-L334 HydrophobicContact CZ-CG 4.45Å; L330-L334 PolarHBondContact O-N 3.38Å; R331-L334 PolarHBondContact O-N 2.89Å; L334-A337 PolarHBondContact O-N 3.21Å; L334-K338 WeakPolarHBondContact O-CB 3.24Å; L334-K338 PolarHBondContact O-N 2.82Å |
| 335 | Y | 97.3 | Very high | 91.4 | Very high | 143 Ų | 143 | 54.4 Ų | 54.4 | 56% | 0.561 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.8 | -47.7 | 175.5 | 178.4 | -92.9 | 0 | 0 | 0 | 112.2 | R331 Q332 L333 A337 K338 C339 | R331-Y335 PolarHBondContact O-N 3.29Å; Q332-Y335 PolarHBondContact O-N 3.28Å; L333-Y335 VanDerWaalsContact C-N 3.35Å; L333-Y335 PolarHBondContact O-N 3.28Å; Y335-A337 VanDerWaalsContact C-N 3.32Å; Y335-A337 PolarHBondContact O-N 2.94Å; Y335-K338 WeakPolarHBondContact O-CB 3.24Å; Y335-K338 PolarHBondContact O-N 2.88Å; Y335-C339 PolarHBondContact O-N 3Å; Y335-C339 PolarHBondContact O-SG 3.06Å |
| 336 | N | 97.4 | Very high | 88.8 | Confident | 49 Ų | 49 | 57.3 Ų | 57.3 | 26% | 0.262 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.1 | -45.1 | 174.5 | -69.5 | 2.6 | 0 | 0 | 0 | 111.1 | D308 Q332 L333 K338 C339 S340 | D308-N336 HydrophobicContact CB-CB 3.94Å; D308-N336 WeakPolarHBondContact OD1-CB 3.3Å; D308-N336 PolarHBondContact OD1-ND2 2.66Å; Q332-N336 PolarHBondContact NE2-OD1 2.89Å; Q332-N336 WeakPolarHBondContact O-CB 3.49Å; Q332-N336 PolarHBondContact O-N 3.03Å; Q332-N336 PolarHBondContact O-OD1 3.12Å; Q332-N336 VanDerWaalsContact O-OD1 3.14Å; L333-N336 PolarHBondContact O-N 2.76Å; N336-K338 VanDerWaalsContact C-N 3.34Å; N336-K338 PolarHBondContact O-N 2.76Å; N336-C339 PolarHBondContact O-N 3.24Å; N336-S340 WeakPolarHBondContact O-CB 3.43Å; N336-S340 PolarHBondContact O-N 3.32Å |
| 337 | A | 96.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.8 | -40.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L146 D308 I309 L333 L334 Y335 S340 L341 | L146-A337 HydrophobicContact CD1-CB 4.31Å; L146-A337 HydrophobicContact CD2-CB 4.33Å; D308-A337 HydrophobicContact CB-CB 4.21Å; I309-A337 HydrophobicContact CD1-CB 4.28Å; I309-A337 HydrophobicContact CG1-CB 3.74Å; L333-A337 WeakPolarHBondContact O-CB 3.41Å; L333-A337 PolarHBondContact O-N 3.15Å; L334-A337 PolarHBondContact O-N 3.21Å; Y335-A337 VanDerWaalsContact C-N 3.32Å; Y335-A337 PolarHBondContact O-N 2.94Å; A337-S340 PolarHBondContact O-N 3.04Å; A337-L341 WeakPolarHBondContact O-CB 3.47Å; A337-L341 WeakPolarHBondContact O-CG 3.45Å; A337-L341 PolarHBondContact O-N 3.23Å |
| 338 | K | 95.2 | Very high | 83.5 | Confident | 44 Ų | 44 | 58.8 Ų | 58.8 | 19% | 0.191 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.9 | -49.8 | 175.2 | 171.8 | 173.4 | 162.6 | 174 | 0 | 110.8 | S143 L146 E147 L334 Y335 N336 S340 L341 S342 | S143-K338 VanDerWaalsContact OG-CE 3.25Å; S143-K338 WeakPolarHBondContact OG-CE 3.39Å; L146-K338 HydrophobicContact CB-CB 4.16Å; L146-K338 HydrophobicContact CD1-CB 4.08Å; E147-K338 IonicContact OE1-NZ 2.89Å; E147-K338 PolarHBondContact OE1-NZ 3.5Å; E147-K338 IonicContact OE2-NZ 2.64Å; E147-K338 PolarHBondContact OE2-NZ 3.38Å; L334-K338 WeakPolarHBondContact O-CB 3.24Å; L334-K338 PolarHBondContact O-N 2.82Å; Y335-K338 WeakPolarHBondContact O-CB 3.24Å; Y335-K338 PolarHBondContact O-N 2.88Å; N336-K338 VanDerWaalsContact C-N 3.34Å; N336-K338 PolarHBondContact O-N 2.76Å; K338-S340 PolarHBondContact O-N 2.79Å; K338-L341 PolarHBondContact O-N 3.19Å; K338-S342 PolarHBondContact O-N 3.05Å; K338-S342 PolarHBondContact O-OG 3.18Å |
| 339 | C | 94.8 | Very high | 80.8 | Confident | 40 Ų | 40 | 60.6 Ų | 60.6 | 27% | 0.27 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 178.2 | -58.9 | 0 | 0 | 0 | 0 | 112.8 | Y335 N336 L341 S342 N343 | Y335-C339 PolarHBondContact O-N 3Å; Y335-C339 PolarHBondContact O-SG 3.06Å; N336-C339 PolarHBondContact O-N 3.24Å; C339-L341 VanDerWaalsContact C-N 3.32Å; C339-L341 PolarHBondContact O-N 3.19Å; C339-S342 WeakPolarHBondContact CA-OG 3.36Å; C339-S342 PolarHBondContact O-OG 2.68Å; C339-N343 WeakPolarHBondContact O-CB 3.38Å; C339-N343 PolarHBondContact O-N 2.71Å; C339-N343 PolarHBondContact O-OD1 3.14Å |
| 340 | S | 92.5 | Very high | 77.8 | Confident | 36 Ų | 36 | 60.8 Ų | 60.8 | 25% | 0.252 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.7 | -38.1 | 177.9 | -174.5 | 0 | 0 | 0 | 0 | 112.3 | N336 A337 K338 K344 | N336-S340 WeakPolarHBondContact O-CB 3.43Å; N336-S340 PolarHBondContact O-N 3.32Å; A337-S340 PolarHBondContact O-N 3.04Å; K338-S340 PolarHBondContact O-N 2.79Å; S340-K344 WeakPolarHBondContact O-CG 3.39Å; S340-K344 PolarHBondContact O-N 3.15Å |
| 341 | L | 88.5 | Confident | 74.7 | Confident | 27 Ų | 27 | 63.6 Ų | 63.6 | 14% | 0.141 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -81.4 | -35.6 | -179.4 | -69.4 | 168.2 | 0 | 0 | 0 | 113.2 | T142 L146 Y303 I309 A337 K338 C339 K344 Q345 | T142-L341 HydrophobicContact CG2-CD1 4.27Å; L146-L341 HydrophobicContact CD1-CD1 3.85Å; Y303-L341 HydrophobicContact CD1-CD1 4.18Å; Y303-L341 HydrophobicContact CD1-CD2 4.33Å; Y303-L341 HydrophobicContact CE1-CD1 3.88Å; Y303-L341 HydrophobicContact CE1-CD2 4.17Å; I309-L341 HydrophobicContact CD1-CD1 4.31Å; A337-L341 WeakPolarHBondContact O-CB 3.47Å; A337-L341 WeakPolarHBondContact O-CG 3.45Å; A337-L341 PolarHBondContact O-N 3.23Å; K338-L341 PolarHBondContact O-N 3.19Å; C339-L341 VanDerWaalsContact C-N 3.32Å; C339-L341 PolarHBondContact O-N 3.19Å; L341-K344 PolarHBondContact O-N 3.14Å; L341-Q345 PolarHBondContact O-N 3.18Å |
| 342 | S | 82.6 | Confident | 71.7 | Confident | 44 Ų | 44 | 65.1 Ų | 65.1 | 31% | 0.308 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 173.3 | 57.3 | 0 | 0 | 0 | 0 | 111.4 | K338 C339 K344 Q345 S346 | K338-S342 PolarHBondContact O-N 3.05Å; K338-S342 PolarHBondContact O-OG 3.18Å; C339-S342 WeakPolarHBondContact CA-OG 3.36Å; C339-S342 PolarHBondContact O-OG 2.68Å; S342-K344 VanDerWaalsContact C-N 3.31Å; S342-K344 PolarHBondContact O-N 2.67Å; S342-Q345 PolarHBondContact O-N 2.66Å; S342-Q345 VanDerWaalsContact O-N 3.11Å; S342-S346 PolarHBondContact O-N 3.21Å; S342-S346 PolarHBondContact O-OG 3.48Å |
| 343 | N | 72.7 | Confident | 68.8 | Low | 108 Ų | 108 | 68.1 Ų | 68.1 | 58% | 0.578 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.8 | -34.9 | -177.8 | -66.1 | 2.4 | 0 | 0 | 0 | 112.1 | C339 S346 A347 | C339-N343 WeakPolarHBondContact O-CB 3.38Å; C339-N343 PolarHBondContact O-N 2.71Å; C339-N343 PolarHBondContact O-OD1 3.14Å; N343-S346 PolarHBondContact O-N 2.92Å; N343-A347 WeakPolarHBondContact O-CB 3.43Å; N343-A347 PolarHBondContact O-N 2.71Å |
| 344 | K | 63.1 | Low | 65.9 | Low | 90 Ų | 90 | 74.3 Ų | 74.3 | 39% | 0.391 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.7 | -37.6 | 173.9 | -74.6 | 177.6 | -178.6 | 177.6 | 0 | 112.3 | S305 S340 L341 S342 V348 | S305-K344 PolarHBondContact O-NZ 3.46Å; S305-K344 PolarHBondContact OG-NZ 3.47Å; S305-K344 VanDerWaalsContact OG-NZ 3.12Å; S340-K344 WeakPolarHBondContact O-CG 3.39Å; S340-K344 PolarHBondContact O-N 3.15Å; L341-K344 PolarHBondContact O-N 3.14Å; S342-K344 VanDerWaalsContact C-N 3.31Å; S342-K344 PolarHBondContact O-N 2.67Å; K344-V348 WeakPolarHBondContact O-CG2 3.19Å; K344-V348 PolarHBondContact O-N 3.42Å |
| 345 | Q | 55.1 | Low | 63 | Low | 109 Ų | 109 | 79 Ų | 79 | 51% | 0.509 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.9 | -43 | 175.7 | -67.7 | -179.4 | 8.4 | 0 | 0 | 111.5 | L341 S342 A347 V348 I349 | L341-Q345 PolarHBondContact O-N 3.18Å; S342-Q345 PolarHBondContact O-N 2.66Å; S342-Q345 VanDerWaalsContact O-N 3.11Å; Q345-A347 PolarHBondContact O-N 3.13Å; Q345-V348 PolarHBondContact O-N 3.14Å; Q345-I349 WeakPolarHBondContact O-CG1 3.26Å; Q345-I349 PolarHBondContact O-N 3.3Å |
| 346 | S | 43.5 | Very low | 60 | Low | 68 Ų | 68 | 79.7 Ų | 79.7 | 48% | 0.476 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 173.5 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | S342 N343 V348 I349 Q350 | S342-S346 PolarHBondContact O-N 3.21Å; S342-S346 PolarHBondContact O-OG 3.48Å; N343-S346 PolarHBondContact O-N 2.92Å; S346-V348 PolarHBondContact O-N 3.03Å; S346-I349 PolarHBondContact O-N 2.77Å; S346-Q350 WeakPolarHBondContact O-CB 3.32Å; S346-Q350 PolarHBondContact O-N 3Å |
| 347 | A | 42.1 | Very low | 57.1 | Low | 53 Ų | 53 | 86 Ų | 86 | 44% | 0.438 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.8 | -41.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N343 Q345 Q350 S351 | N343-A347 WeakPolarHBondContact O-CB 3.43Å; N343-A347 PolarHBondContact O-N 2.71Å; Q345-A347 PolarHBondContact O-N 3.13Å; A347-Q350 PolarHBondContact O-N 3.09Å; A347-S351 PolarHBondContact O-N 2.85Å; A347-S351 PolarHBondContact O-OG 2.89Å |
| 348 | V | 44.8 | Very low | 54 | Low | 89 Ų | 89 | 90.2 Ų | 90.2 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 176.9 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | K344 Q345 S346 Q350 S351 C352 | K344-V348 WeakPolarHBondContact O-CG2 3.19Å; K344-V348 PolarHBondContact O-N 3.42Å; Q345-V348 PolarHBondContact O-N 3.14Å; S346-V348 PolarHBondContact O-N 3.03Å; V348-Q350 VanDerWaalsContact C-N 3.27Å; V348-Q350 PolarHBondContact O-N 2.72Å; V348-S351 WeakPolarHBondContact CA-OG 3.49Å; V348-S351 PolarHBondContact O-N 2.92Å; V348-S351 PolarHBondContact O-OG 2.91Å; V348-C352 WeakPolarHBondContact O-CB 3.48Å; V348-C352 PolarHBondContact O-N 2.91Å; V348-C352 PolarHBondContact O-SG 2.85Å; V348-C352 VanDerWaalsContact O-SG 3.35Å |
| 349 | I | 40.9 | Very low | 51 | Low | 107 Ų | 107 | 96.1 Ų | 96.1 | 55% | 0.549 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.6 | -37.4 | 175.5 | -66.8 | 167.2 | 0 | 0 | 0 | 110.7 | Q345 S346 C352 K353 | Q345-I349 WeakPolarHBondContact O-CG1 3.26Å; Q345-I349 PolarHBondContact O-N 3.3Å; S346-I349 PolarHBondContact O-N 2.77Å; I349-C352 PolarHBondContact O-N 3.09Å; I349-K353 PolarHBondContact O-N 2.99Å; I349-K353 VanDerWaalsContact O-N 3.13Å |
| 350 | Q | 34.5 | Very low | 48 | Very low | 126 Ų | 126 | 103.5 Ų | 103.5 | 59% | 0.589 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -72.7 | -39.7 | 179.7 | -156.6 | 159.2 | 8.6 | 0 | 0 | 111.9 | S346 A347 V348 C352 K353 L354 | S346-Q350 WeakPolarHBondContact O-CB 3.32Å; S346-Q350 PolarHBondContact O-N 3Å; A347-Q350 PolarHBondContact O-N 3.09Å; V348-Q350 VanDerWaalsContact C-N 3.27Å; V348-Q350 PolarHBondContact O-N 2.72Å; Q350-C352 PolarHBondContact O-N 3.47Å; Q350-K353 PolarHBondContact O-N 2.86Å; Q350-L354 HydrophobicContact CG-CD1 4.27Å; Q350-L354 WeakPolarHBondContact O-CB 3.45Å; Q350-L354 WeakPolarHBondContact O-CG 3.25Å; Q350-L354 PolarHBondContact O-N 3.19Å |
| 351 | S | 34.8 | Very low | 45.3 | Very low | 63 Ų | 63 | 107.9 Ų | 107.9 | 44% | 0.441 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.8 | -36.1 | 171.8 | 55.7 | 0 | 0 | 0 | 0 | 113 | A347 V348 K353 L354 T355 | A347-S351 PolarHBondContact O-N 2.85Å; A347-S351 PolarHBondContact O-OG 2.89Å; V348-S351 WeakPolarHBondContact CA-OG 3.49Å; V348-S351 PolarHBondContact O-N 2.92Å; V348-S351 PolarHBondContact O-OG 2.91Å; S351-K353 VanDerWaalsContact C-N 3.32Å; S351-K353 PolarHBondContact O-N 2.97Å; S351-L354 PolarHBondContact O-N 2.63Å; S351-T355 WeakPolarHBondContact O-CG2 3.47Å; S351-T355 PolarHBondContact O-N 3.29Å; S351-T355 PolarHBondContact O-OG1 2.91Å |
| 352 | C | 35.2 | Very low | 42.7 | Very low | 81 Ų | 81 | 111.9 Ų | 111.9 | 55% | 0.547 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -76.7 | -15.8 | 177.6 | -67.9 | 0 | 0 | 0 | 0 | 113.9 | V348 I349 Q350 | V348-C352 WeakPolarHBondContact O-CB 3.48Å; V348-C352 PolarHBondContact O-N 2.91Å; V348-C352 PolarHBondContact O-SG 2.85Å; V348-C352 VanDerWaalsContact O-SG 3.35Å; I349-C352 PolarHBondContact O-N 3.09Å; Q350-C352 PolarHBondContact O-N 3.47Å |
| 353 | K | 36.6 | Very low | 40.6 | Very low | 151 Ų | 151 | 118.3 Ų | 118.3 | 66% | 0.657 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -84.6 | -38.2 | 168.1 | -77.9 | -168.9 | 170 | -166.1 | 0 | 112.3 | I349 Q350 S351 T355 | I349-K353 PolarHBondContact O-N 2.99Å; I349-K353 VanDerWaalsContact O-N 3.13Å; Q350-K353 PolarHBondContact O-N 2.86Å; S351-K353 VanDerWaalsContact C-N 3.32Å; S351-K353 PolarHBondContact O-N 2.97Å; K353-T355 PolarHBondContact O-N 3.29Å; K353-T355 VanDerWaalsContact O-N 3.15Å |
| 354 | L | 37.4 | Very low | 38.9 | Very low | 130 Ų | 130 | 122.6 Ų | 122.6 | 68% | 0.681 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 4.5 | 179.9 | -70.4 | 168.1 | 0 | 0 | 0 | 114.6 | Q350 S351 | Q350-L354 HydrophobicContact CG-CD1 4.27Å; Q350-L354 WeakPolarHBondContact O-CB 3.45Å; Q350-L354 WeakPolarHBondContact O-CG 3.25Å; Q350-L354 PolarHBondContact O-N 3.19Å; S351-L354 PolarHBondContact O-N 2.63Å |
| 355 | T | 36.1 | Very low | 37.6 | Very low | 100 Ų | 100 | 122.6 Ų | 122.6 | 61% | 0.613 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.9 | 16.7 | 177.9 | 55.3 | 0 | 0 | 0 | 0 | 113.9 | S351 K353 | S351-T355 WeakPolarHBondContact O-CG2 3.47Å; S351-T355 PolarHBondContact O-N 3.29Å; S351-T355 PolarHBondContact O-OG1 2.91Å; K353-T355 PolarHBondContact O-N 3.29Å; K353-T355 VanDerWaalsContact O-N 3.15Å |
| 356 | M | 35.6 | Very low | 36.8 | Very low | 159 Ų | 159 | 122.8 Ų | 122.8 | 78% | 0.783 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -128 | 4.4 | 177.5 | -69.5 | -91.3 | 66.3 | 0 | 0 | 114.3 | ||
| 357 | E | 35.3 | Very low | 36.5 | Very low | 180 Ų | 180 | 125 Ų | 125 | 84% | 0.841 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -128.9 | 36.6 | -175.4 | -65.4 | -174.8 | 153.9 | 0 | 0 | 112.9 | ||
| 358 | S | 32.3 | Very low | 36.3 | Very low | 90 Ų | 90 | 128.6 Ų | 128.6 | 63% | 0.629 | 72% | 0.724 | S | S | * | * | trans | -159.7 | 78.6 | 172.8 | 64.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 359 | D | 32.6 | Very low | 35.8 | Very low | 167 Ų | 167 | 135.8 Ų | 135.8 | 89% | 0.893 | 74% | 0.741 | S | S | * | * | trans | -172.6 | 65.5 | 155.1 | -102.1 | -21.8 | 0 | 0 | 0 | 112.2 | ||||
| 360 | E | 32.5 | Very low | 35.5 | Very low | 195 Ų | 195 | 142.7 Ų | 142.7 | 91% | 0.911 | 76% | 0.76 | S | S | * | * | trans | -127.5 | 78.5 | 167 | -83.7 | -149.4 | 134.4 | 0 | 0 | 112.1 | ||||
| 361 | T | 35.4 | Very low | 35.5 | Very low | 129 Ų | 129 | 145.6 Ų | 145.6 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -144 | 113.7 | 159 | 38.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 362 | S | 33.4 | Very low | 35.4 | Very low | 111 Ų | 111 | 153.7 Ų | 153.7 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | 55.2 | 95.4 | 150.3 | 63.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 363 | I | 38.7 | Very low | 35.2 | Very low | 178 Ų | 178 | 155.3 Ų | 155.3 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | trans | -123.1 | 146.6 | 133.8 | -63 | -175.5 | 0 | 0 | 0 | 108 | ||||
| 364 | K | 37.9 | Very low | 35.4 | Very low | 198 Ų | 198 | 156.2 Ų | 156.2 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -86 | 153.4 | -162.5 | -61.3 | 175 | -177.7 | 174.8 | 0 | 113.8 | ||||
| 365 | A | 35.4 | Very low | 35.4 | Very low | 90 Ų | 90 | 155.7 Ų | 155.7 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | trans | -60.1 | 162.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 366 | S | 37 | Very low | 35.5 | Very low | 114 Ų | 114 | 158.4 Ų | 158.4 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | cis | -154.3 | 172.3 | 40.4 | -110.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 367 | P | 38 | Very low | 35.6 | Very low | 115 Ų | 115 | 155.7 Ų | 155.7 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | trans | -108.7 | 178.7 | -145.5 | 41.4 | -39.1 | 0 | 0 | 0 | 116.7 | ||||
| 368 | S | 38.1 | Very low | 35.8 | Very low | 128 Ų | 128 | 151.5 Ų | 151.5 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | trans | -143.7 | 150.6 | 160.1 | -88.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 369 | R | 33.5 | Very low | 36.2 | Very low | 240 Ų | 240 | 156.1 Ų | 156.1 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | -74.9 | 149 | -164 | -59.1 | 168.8 | 173.8 | 172.2 | -3.1 | 114.2 | ||||
| 370 | R | 34.3 | Very low | 36.5 | Very low | 252 Ų | 252 | 155.8 Ų | 155.8 | 95% | 0.951 | 81% | 0.808 | S | S | * | * | -158.3 | 152.1 | 116.2 | -102.6 | 159.3 | -161.5 | -165.3 | 4.6 | 110.7 | |||||
| 371 | K | 35 | Very low | 36.8 | Very low | 186 Ų | 186 | 152.8 Ų | 152.8 | 81% | 0.809 | 80% | 0.798 | S | S | * | * | trans | -101.9 | 152.4 | -176.8 | -65.7 | -179.2 | 174.2 | -174.2 | 0 | 110.9 | ||||
| 372 | Y | 32.7 | Very low | 37 | Very low | 233 Ų | 233 | 153 Ų | 153 | 91% | 0.914 | 80% | 0.795 | S | S | * | * | trans | -146 | 134.7 | 134.5 | -104 | -78.8 | 0 | 0 | 0 | 109.1 | ||||
| 373 | N | 32.4 | Very low | 37.2 | Very low | 115 Ų | 115 | 150.6 Ų | 150.6 | 62% | 0.615 | 78% | 0.778 | S | S | * | * | trans | -102.1 | 156 | 169.6 | -88.2 | 46.9 | 0 | 0 | 0 | 108.8 | ||||
| 374 | I | 39.6 | Very low | 37.1 | Very low | 170 Ų | 170 | 153 Ų | 153 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | -163.9 | 134.4 | 122.8 | -100 | 154 | 0 | 0 | 0 | 108.5 | |||||
| 375 | D | 37.6 | Very low | 37 | Very low | 120 Ų | 120 | 148.2 Ų | 148.2 | 64% | 0.642 | 77% | 0.773 | S | S | * | * | trans | -88.3 | 152.9 | -177.4 | -53.2 | -95.3 | 0 | 0 | 0 | 111.9 | ||||
| 376 | N | 38 | Very low | 36.8 | Very low | 157 Ų | 157 | 151.4 Ų | 151.4 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | -166 | 163.5 | 110 | -111.4 | -66.2 | 0 | 0 | 0 | 116.4 | |||||
| 377 | S | 38.4 | Very low | 36.7 | Very low | 101 Ų | 101 | 153.2 Ų | 153.2 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -74.2 | 172.1 | -179.1 | 71.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 378 | S | 39.4 | Very low | 36.5 | Very low | 92 Ų | 92 | 153.4 Ų | 153.4 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | cis | -166.3 | 154.1 | 33.7 | 59 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 379 | K | 40.5 | Very low | 36.3 | Very low | 188 Ų | 188 | 153.6 Ų | 153.6 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | trans | 33.9 | 140.5 | 135.6 | -52.8 | 177.6 | -176.9 | 177.2 | 0 | 118.7 | ||||
| 380 | I | 39.3 | Very low | 36.4 | Very low | 160 Ų | 160 | 150.9 Ų | 150.9 | 82% | 0.821 | 77% | 0.774 | S | S | * | * | -155.9 | 158.5 | 59.4 | -76.4 | 167.7 | 0 | 0 | 0 | 111.1 | |||||
| 381 | N | 38.7 | Very low | 36.2 | Very low | 131 Ų | 131 | 146.1 Ų | 146.1 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | trans | -73.8 | -160.2 | 176.9 | -37.2 | -2.2 | 0 | 0 | 0 | 112.8 | ||||
| 382 | D | 38.5 | Very low | 36.2 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | cis | -166.7 | 165.2 | -0.4 | -121.1 | -40.8 | 0 | 0 | 0 | 105.9 | ||||
| 383 | S | 38.4 | Very low | 36.1 | Very low | 60 Ų | 60 | 141.8 Ų | 141.8 | 42% | 0.42 | 76% | 0.763 | S | S | . | * | cis | -166 | 153 | -7.4 | 81.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 384 | R | 37.2 | Very low | 36.2 | Very low | 228 Ų | 228 | 141.6 Ų | 141.6 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | 66.5 | 161.7 | 155.3 | -55.2 | 163.8 | -179.9 | 104.9 | -5.1 | 116.1 | ||||
| 385 | A | 34.5 | Very low | 35.7 | Very low | 98 Ų | 98 | 140 Ų | 140 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | cis | -141.8 | 160.6 | 0.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 386 | L | 32.4 | Very low | 35.5 | Very low | 157 Ų | 157 | 142.3 Ų | 142.3 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | -101.3 | 149.6 | 161.3 | -68 | 165.8 | 0 | 0 | 0 | 109.3 | ||||
| 387 | N | 33.7 | Very low | 35.2 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | 167.4 | 173 | 126.8 | -89.7 | -13.3 | 0 | 0 | 0 | 115 | |||||
| 388 | S | 35 | Very low | 34.9 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | 70.1 | 110 | 163.8 | 37 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 389 | V | 33.8 | Very low | 34.6 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | trans | -80.2 | 143.1 | 157.1 | 175.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 390 | E | 34.3 | Very low | 34.1 | Very low | 182 Ų | 182 | 144.2 Ų | 144.2 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | trans | -143.6 | 137.5 | 159.3 | -144.3 | 165.8 | -133.5 | 0 | 0 | 110.4 | ||||
| 391 | N | 31.4 | Very low | 33.8 | Very low | 153 Ų | 153 | 142.6 Ų | 142.6 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -88.9 | 137.8 | 178.8 | -71.1 | -58.6 | 0 | 0 | 0 | 109.8 | ||||
| 392 | L | 33.6 | Very low | 33.4 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | trans | -142 | 112.4 | 171.8 | -111.8 | 159.6 | 0 | 0 | 0 | 111.3 | V394 | L392-V394 PolarHBondContact O-N 2.95Š| ||
| 393 | E | 30.8 | Very low | 33.2 | Very low | 180 Ų | 180 | 139.2 Ų | 139.2 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | trans | -69.8 | 118.1 | 170.4 | -61.7 | -174.8 | 128.1 | 0 | 0 | 109.7 | I395 | E393-I395 PolarHBondContact O-N 3.27Š| ||
| 394 | V | 34.3 | Very low | 32.8 | Very low | 111 Ų | 111 | 142 Ų | 142 | 67% | 0.673 | 79% | 0.789 | S | S | * | * | trans | -101 | 86 | 177.1 | -170.1 | 0 | 0 | 0 | 0 | 110.6 | L392 H396 | L392-V394 PolarHBondContact O-N 2.95Å; V394-H396 PolarHBondContact O-N 3.46Å | ||
| 395 | I | 30.4 | Very low | 32.9 | Very low | 137 Ų | 137 | 139.3 Ų | 139.3 | 70% | 0.703 | 79% | 0.791 | S | S | * | * | trans | -60 | 105.7 | 169.8 | -61.3 | 164.7 | 0 | 0 | 0 | 109.2 | E393 T397 | E393-I395 PolarHBondContact O-N 3.27Å; I395-T397 HydrophobicContact CG2-CG2 4.18Å; I395-T397 PolarHBondContact O-N 3.37Å; I395-T397 VanDerWaalsContact O-N 3.11Å | ||
| 396 | H | 33.4 | Very low | 32.9 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -83 | 85.8 | 173.7 | -103.5 | 64 | 0 | 0 | 0 | 111.4 | V394 I398 | V394-H396 PolarHBondContact O-N 3.46Å; H396-I398 PolarHBondContact O-N 2.8Å | ||
| 397 | T | 30.9 | Very low | 32.8 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | -61.4 | 129.5 | 170 | 46.3 | 0 | 0 | 0 | 0 | 111.6 | I395 P399 | I395-T397 HydrophobicContact CG2-CG2 4.18Å; I395-T397 PolarHBondContact O-N 3.37Å; I395-T397 VanDerWaalsContact O-N 3.11Å; T397-P399 WeakPolarHBondContact O-CD 3.11Å | ||
| 398 | I | 33.1 | Very low | 33 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | -62 | 127.1 | 177.5 | -60.6 | 168.1 | 0 | 0 | 0 | 110.5 | H396 K400 | H396-I398 PolarHBondContact O-N 2.8Å; I398-K400 PolarHBondContact O-N 3.37Å | ||
| 399 | P | 32.2 | Very low | 32.8 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -67.1 | 96.8 | 171.1 | -19.7 | 32.9 | 0 | 0 | 0 | 111.7 | T397 T401 | T397-P399 WeakPolarHBondContact O-CD 3.11Å; P399-T401 PolarHBondContact O-N 3.25Å | ||
| 400 | K | 30.6 | Very low | 33.2 | Very low | 205 Ų | 205 | 146.4 Ų | 146.4 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | trans | -78.3 | 96.9 | 163.4 | -75.7 | -175.6 | 179 | 176.7 | 0 | 109 | I398 | I398-K400 PolarHBondContact O-N 3.37Š| ||
| 401 | T | 32.6 | Very low | 33.2 | Very low | 126 Ų | 126 | 150 Ų | 150 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -117.9 | 148.2 | 171.4 | 34.9 | 0 | 0 | 0 | 0 | 111.2 | P399 | P399-T401 PolarHBondContact O-N 3.25Š| ||
| 402 | P | 30.9 | Very low | 33.3 | Very low | 125 Ų | 125 | 146.4 Ų | 146.4 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | -128.1 | 176.8 | -119.3 | 41.6 | -30.7 | 0 | 0 | 0 | 115 | |||||
| 403 | G | 33.2 | Very low | 33.3 | Very low | 68 Ų | 68 | 151.2 Ų | 151.2 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | trans | 99 | 106.1 | 155 | 0 | 0 | 0 | 0 | 0 | 115.3 | L405 | G403-L405 PolarHBondContact O-N 2.8Š| ||
| 404 | S | 31 | Very low | 33.9 | Very low | 120 Ų | 120 | 147.7 Ų | 147.7 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64 | 118.9 | 159.9 | 52.9 | 0 | 0 | 0 | 0 | 110.4 | ||
| 405 | L | 38.2 | Very low | 34.1 | Very low | 170 Ų | 170 | 148.8 Ų | 148.8 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 132.3 | 165.2 | -77.7 | 170.4 | 0 | 0 | 0 | 109.9 | G403 | G403-L405 PolarHBondContact O-N 2.8Š|
| 406 | P | 34.2 | Very low | 34.4 | Very low | 98 Ų | 98 | 146 Ų | 146 | 64% | 0.636 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -80 | 141.4 | -168.6 | 30.4 | -35.6 | 0 | 0 | 0 | 113.4 | K408 | P406-K408 PolarHBondContact O-N 3.26Š|
| 407 | N | 31.7 | Very low | 34.5 | Very low | 166 Ų | 166 | 149.5 Ų | 149.5 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | -63.8 | 103.5 | 167.8 | -110.3 | -45.8 | 0 | 0 | 0 | 110.6 | ||||
| 408 | K | 36.4 | Very low | 34.8 | Very low | 184 Ų | 184 | 150.9 Ų | 150.9 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | trans | -120.8 | 97.9 | 168.6 | -79.5 | -172.4 | 173.9 | -179.5 | 0 | 110.9 | P406 | P406-K408 PolarHBondContact O-N 3.26Š| ||
| 409 | R | 31.2 | Very low | 35 | Very low | 232 Ų | 232 | 153 Ų | 153 | 88% | 0.875 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 128.4 | 167.5 | -65.4 | -178.9 | 179.4 | -176.2 | 0.1 | 110 | ||
| 410 | P | 42.5 | Very low | 34.9 | Very low | 128 Ų | 128 | 155.1 Ų | 155.1 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -66 | 141.9 | 157.1 | -15.9 | 31.1 | 0 | 0 | 0 | 109.9 | ||
| 411 | R | 34.2 | Very low | 35.3 | Very low | 258 Ų | 258 | 154 Ų | 154 | 97% | 0.974 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -91 | 128.4 | 168.1 | -69.6 | -179.2 | 177 | 178.2 | -1.4 | 108.9 | ||
| 412 | G | 34.5 | Very low | 35.5 | Very low | 77 Ų | 77 | 154.1 Ų | 154.1 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | -148.2 | 148 | 175 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 413 | R | 33.2 | Very low | 35.7 | Very low | 250 Ų | 250 | 154.7 Ų | 154.7 | 94% | 0.943 | 81% | 0.812 | S | S | * | * | trans | -110.9 | 132.7 | -159.4 | -161.7 | -176.8 | -166.6 | -174.9 | 5.1 | 112.6 | ||||
| 414 | P | 42.6 | Very low | 35.8 | Very low | 106 Ų | 106 | 158.6 Ų | 158.6 | 69% | 0.688 | 82% | 0.815 | S | S | * | * | trans | -92.3 | 174.5 | 173.9 | 40.6 | -37.5 | 0 | 0 | 0 | 111.6 | ||||
| 415 | P | 39.3 | Very low | 36 | Very low | 134 Ų | 134 | 158.5 Ų | 158.5 | 87% | 0.87 | 81% | 0.814 | S | S | * | * | -146.8 | 162 | 91 | 38.6 | -22.6 | 0 | 0 | 0 | 116.2 | |||||
| 416 | G | 36.9 | Very low | 36.1 | Very low | 79 Ų | 79 | 156.1 Ų | 156.1 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | -173.7 | 116.3 | 170 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 417 | R | 35.4 | Very low | 36 | Very low | 240 Ų | 240 | 156.1 Ų | 156.1 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | trans | -79.4 | 165.2 | 173.5 | -72.7 | 179 | 165.2 | -178.1 | -4 | 110.5 | ||||
| 418 | L | 36 | Very low | 36.3 | Very low | 142 Ų | 142 | 155.1 Ų | 155.1 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | cis | -156.5 | 176.2 | -0.3 | -139.8 | 56.7 | 0 | 0 | 0 | 105.9 | ||||
| 419 | K | 37.8 | Very low | 36.1 | Very low | 192 Ų | 192 | 153 Ų | 153 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | cis | -138 | -177.8 | 11.9 | -70.1 | -171.4 | 173.6 | -173.3 | 0 | 110.9 | ||||
| 420 | Q | 31 | Very low | 36.2 | Very low | 158 Ų | 158 | 147.3 Ų | 147.3 | 74% | 0.738 | 82% | 0.815 | S | S | * | * | trans | -84.7 | 161.2 | 173.3 | -59.5 | 143.7 | -79.9 | 0 | 0 | 114 | ||||
| 421 | L | 38.1 | Very low | 35.9 | Very low | 180 Ų | 180 | 147 Ų | 147 | 94% | 0.942 | 82% | 0.817 | S | S | * | * | trans | -150.6 | 156.3 | 130.1 | -111.2 | 167.7 | 0 | 0 | 0 | 108.6 | ||||
| 422 | E | 36.3 | Very low | 35.7 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 60% | 0.603 | 81% | 0.809 | S | S | * | * | trans | -123.7 | 146.9 | -150.2 | -87.7 | -172.1 | -178.6 | 0 | 0 | 116.4 | ||||
| 423 | N | 35.7 | Very low | 35.9 | Very low | 137 Ų | 137 | 141.9 Ų | 141.9 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | trans | 59.5 | 170.8 | 148.6 | -52.6 | -28.2 | 0 | 0 | 0 | 116.7 | ||||
| 424 | I | 35.9 | Very low | 36 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | cis | -130.3 | 154.5 | 2.7 | -61.9 | 163.7 | 0 | 0 | 0 | 109 | ||||
| 425 | S | 34.4 | Very low | 35.7 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -144.2 | 150.7 | 153.4 | -66.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 426 | P | 41.1 | Very low | 35.5 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -131.1 | 155.4 | 148.5 | 35.8 | -23.9 | 0 | 0 | 0 | 112.7 | ||||
| 427 | A | 31.7 | Very low | 35.3 | Very low | 98 Ų | 98 | 142.5 Ų | 142.5 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -105.2 | 162.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 428 | V | 37.3 | Very low | 35.2 | Very low | 145 Ų | 145 | 137 Ų | 137 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -132.6 | 141.4 | 167 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 429 | T | 33.7 | Very low | 35 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -96.9 | 173.4 | -173 | 43.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 430 | S | 32.5 | Very low | 34.9 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -78.3 | 151.8 | -174.2 | 52.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 431 | S | 35.8 | Very low | 35.1 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -150.5 | 155.4 | 147.2 | 56 | 0 | 0 | 0 | 0 | 110 | ||||
| 432 | S | 31.5 | Very low | 34.9 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -133.9 | 128.6 | -169.1 | -53.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 433 | S | 36.7 | Very low | 34.9 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | -177.3 | 112 | 162 | 51.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 434 | E | 36 | Very low | 34.9 | Very low | 188 Ų | 188 | 136.6 Ų | 136.6 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | 73 | 151.4 | 72.9 | -72.4 | -158.3 | 155 | 0 | 0 | 115.8 | |||||
| 435 | V | 35.6 | Very low | 34.9 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | trans | 88.4 | 89.9 | 166 | -166.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 436 | V | 35.9 | Very low | 34.9 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 78% | 0.782 | 81% | 0.808 | S | S | * | * | 74.7 | 146 | 129.1 | 179.1 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 437 | D | 31.8 | Very low | 34.7 | Very low | 139 Ų | 139 | 138.1 Ų | 138.1 | 74% | 0.743 | 81% | 0.811 | S | S | * | * | trans | -61.3 | 156.8 | -177.4 | -45.5 | -91.8 | 0 | 0 | 0 | 117.4 | ||||
| 438 | S | 33.9 | Very low | 35 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | -176.4 | 154.2 | 111.4 | -83.9 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 439 | V | 32.9 | Very low | 35 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | -95.8 | 140.2 | -177.7 | 172.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 440 | K | 36 | Very low | 35 | Very low | 210 Ų | 210 | 138.1 Ų | 138.1 | 91% | 0.913 | 81% | 0.81 | S | S | * | * | trans | -164.9 | 166.1 | 142.3 | -107.7 | 151.2 | -170.2 | 174.8 | 0 | 114.5 | ||||
| 441 | H | 34.9 | Very low | 35.6 | Very low | 172 Ų | 172 | 137.4 Ų | 137.4 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | trans | -104.4 | 168 | -165.1 | -80.2 | -69.3 | 0 | 0 | 0 | 114.7 | ||||
| 442 | S | 33.7 | Very low | 35.6 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | 74 | 153.9 | 143.3 | 65.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 443 | K | 36.1 | Very low | 35.9 | Very low | 178 Ų | 178 | 137.9 Ų | 137.9 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | cis | -158.9 | 150.3 | -3.2 | -126.9 | 175.6 | 178.8 | -177.2 | 0 | 111.6 | ||||
| 444 | I | 34.8 | Very low | 36 | Very low | 134 Ų | 134 | 142.3 Ų | 142.3 | 69% | 0.687 | 80% | 0.8 | S | S | * | * | trans | 30.7 | 123.1 | 143.1 | -59.4 | 164.2 | 0 | 0 | 0 | 120.3 | ||||
| 445 | S | 36.1 | Very low | 35.9 | Very low | 121 Ų | 121 | 144.5 Ų | 144.5 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | 169.6 | 171.2 | 116.4 | 51.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 446 | E | 34.9 | Very low | 35.9 | Very low | 178 Ų | 178 | 144.2 Ų | 144.2 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | -154 | -173.7 | -87.2 | -157.6 | 173.3 | -153 | 0 | 0 | 108.3 | |||||
| 447 | S | 37.6 | Very low | 35.8 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | 75.2 | 143.9 | -178.7 | 81 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 448 | G | 36.4 | Very low | 35.6 | Very low | 72 Ų | 72 | 147 Ų | 147 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | cis | -174.1 | -179.3 | -5.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 449 | A | 37.5 | Very low | 35.7 | Very low | 109 Ų | 109 | 151 Ų | 151 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | trans | 77 | 165.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 450 | K | 33.5 | Very low | 35.5 | Very low | 200 Ų | 200 | 150.5 Ų | 150.5 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | trans | -171.7 | -173.9 | -153.2 | -106.1 | -179.8 | -176.4 | 171.7 | 0 | 109.1 | ||||
| 451 | P | 45 | Very low | 35.3 | Very low | 97 Ų | 97 | 148.7 Ų | 148.7 | 63% | 0.63 | 80% | 0.804 | S | S | * | * | cis | -135.8 | 174.8 | -36.6 | 38.5 | -22.6 | 0 | 0 | 0 | 113.9 | ||||
| 452 | N | 37.6 | Very low | 34.9 | Very low | 154 Ų | 154 | 147.5 Ų | 147.5 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | 154.7 | 156.7 | 134.2 | -85.1 | -37.6 | 0 | 0 | 0 | 112.5 | ||||
| 453 | S | 37.5 | Very low | 34.7 | Very low | 97 Ų | 97 | 146.2 Ų | 146.2 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | cis | 179.2 | 122.7 | -38 | 175.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 454 | K | 37.7 | Very low | 34.4 | Very low | 201 Ų | 201 | 146.5 Ų | 146.5 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | 175.5 | 118.3 | 147 | -98.8 | 153.8 | -173.1 | 174.8 | 0 | 113.6 | ||||
| 455 | R | 34.2 | Very low | 34.1 | Very low | 235 Ų | 235 | 145.3 Ų | 145.3 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | trans | 23.7 | 141.8 | 142.3 | -76.6 | 178.9 | 171.5 | 169.9 | -2.6 | 120.3 | ||||
| 456 | T | 36.9 | Very low | 33.8 | Very low | 121 Ų | 121 | 147.5 Ų | 147.5 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | cis | -145.2 | 139.4 | 26.8 | 47.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 457 | N | 33.8 | Very low | 33.4 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | 30.8 | 113.5 | 143.7 | -58.2 | 4.7 | 0 | 0 | 0 | 121.8 | ||||
| 458 | M | 27.5 | Very low | 33.1 | Very low | 173 Ų | 173 | 146 Ų | 146 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | trans | -102.3 | 162.2 | 131.8 | -75.7 | -167.8 | 71.1 | 0 | 0 | 109.7 | ||||
| 459 | K | 35 | Very low | 32.9 | Very low | 209 Ų | 209 | 149.7 Ų | 149.7 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -121.7 | 118.7 | 156.3 | -92.7 | -168 | 173.2 | -173.3 | 0 | 109.1 | ||||
| 460 | T | 28 | Very low | 32.7 | Very low | 116 Ų | 116 | 149.5 Ų | 149.5 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | trans | -106.1 | 138.2 | 164.1 | -51.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 461 | L | 33.3 | Very low | 32.9 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | trans | -120.8 | 126.1 | 161.5 | -88.1 | 169.2 | 0 | 0 | 0 | 108.4 | ||||
| 462 | N | 26.7 | Very low | 32.3 | Very low | 146 Ų | 146 | 147 Ų | 147 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | -104.9 | -172.3 | 168.4 | -169 | 12 | 0 | 0 | 0 | 107.5 | ||||
| 463 | S | 28.3 | Very low | 32.2 | Very low | 82 Ų | 82 | 147.7 Ų | 147.7 | 57% | 0.573 | 79% | 0.793 | S | S | * | * | trans | 103.6 | 114.7 | 155.8 | -55.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 464 | Q | 30.7 | Very low | 32 | Very low | 185 Ų | 185 | 149.2 Ų | 149.2 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | 77.2 | 117.5 | 126.5 | -67.8 | 167.5 | -21.1 | 0 | 0 | 120.1 | |||||
| 465 | S | 28.2 | Very low | 32 | Very low | 109 Ų | 109 | 145.1 Ų | 145.1 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -71.6 | 147.6 | 151.3 | 51.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 466 | I | 29.5 | Very low | 31.9 | Very low | 167 Ų | 167 | 140.2 Ų | 140.2 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -164.9 | 150.2 | 144.5 | -101.6 | 149.5 | 0 | 0 | 0 | 108.2 | ||||
| 467 | C | 26.6 | Very low | 32.4 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | -89.2 | 167.4 | -179 | -52.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 468 | L | 31.5 | Very low | 32.6 | Very low | 152 Ų | 152 | 140 Ų | 140 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | -171.4 | 111.5 | 141.4 | -105.3 | 166.7 | 0 | 0 | 0 | 113.6 | ||||
| 469 | N | 32.3 | Very low | 32.9 | Very low | 151 Ų | 151 | 135.1 Ų | 135.1 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | 46.6 | 157.2 | 142 | -61.7 | 6.5 | 0 | 0 | 0 | 124.8 | ||||
| 470 | S | 33 | Very low | 32.7 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -99.7 | -172.9 | -175.6 | 53.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 471 | P | 37.1 | Very low | 32.9 | Very low | 121 Ų | 121 | 127.8 Ų | 127.8 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | -136.4 | -179.1 | 99.8 | 37 | -24.1 | 0 | 0 | 0 | 116 | |||||
| 472 | T | 33.7 | Very low | 32.8 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | trans | -76.4 | 179.1 | -176.5 | 34.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 473 | E | 35.8 | Very low | 33.1 | Very low | 168 Ų | 168 | 128.9 Ų | 128.9 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | cis | -152.3 | 159.2 | 39.6 | -63.1 | 177.4 | 144.3 | 0 | 0 | 116.2 | ||||
| 474 | T | 32.9 | Very low | 33.6 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | trans | 23.4 | 149.7 | 148.3 | 58.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 475 | S | 36.3 | Very low | 33.6 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | cis | -151.3 | -176.3 | 14.1 | 47.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 476 | T | 33.7 | Very low | 33.9 | Very low | 132 Ų | 132 | 130 Ų | 130 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -132.1 | -175.4 | -170.8 | 52.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 477 | P | 46.5 | Very low | 33.9 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | cis | -131.5 | -163.9 | -24.1 | 29.3 | -6.1 | 0 | 0 | 0 | 113.9 | ||||
| 478 | D | 37.1 | Very low | 34 | Very low | 163 Ų | 163 | 125.1 Ų | 125.1 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | trans | 114.1 | 142.4 | 158.8 | -67.9 | -7.9 | 0 | 0 | 0 | 116 | ||||
| 479 | G | 35.7 | Very low | 34.2 | Very low | 70 Ų | 70 | 124.1 Ų | 124.1 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | cis | -165.5 | 164.7 | -2.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 480 | G | 30 | Very low | 34.3 | Very low | 90 Ų | 90 | 128.1 Ų | 128.1 | 93% | 0.928 | 80% | 0.797 | S | S | * | * | trans | -65.7 | 164.9 | -163 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 481 | G | 31.6 | Very low | 34 | Very low | 81 Ų | 81 | 132.7 Ų | 132.7 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -174.4 | 132 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 482 | L | 32.6 | Very low | 33.9 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | trans | -95 | 147.5 | -170.5 | -73.5 | 153.6 | 0 | 0 | 0 | 114.5 | ||||
| 483 | M | 32.4 | Very low | 33.8 | Very low | 170 Ų | 170 | 134.6 Ų | 134.6 | 84% | 0.837 | 81% | 0.811 | S | S | * | * | trans | 5.9 | 162.6 | 132.9 | -69.5 | -67.8 | -178.2 | 0 | 0 | 120.7 | ||||
| 484 | P | 37.8 | Very low | 33.9 | Very low | 99 Ų | 99 | 132.6 Ų | 132.6 | 64% | 0.643 | 81% | 0.813 | S | S | * | * | cis | -143 | -178.9 | -16.7 | 36.1 | -14.5 | 0 | 0 | 0 | 116.5 | ||||
| 485 | I | 31.1 | Very low | 33.9 | Very low | 152 Ų | 152 | 132.3 Ų | 132.3 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | trans | 26.8 | 121.2 | 146.2 | -55.5 | 158.5 | 0 | 0 | 0 | 120.4 | ||||
| 486 | V | 34.1 | Very low | 33.6 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | -140 | 152.5 | 140.3 | -178.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 487 | S | 30.5 | Very low | 33.6 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | -107.8 | 151.2 | -172.2 | -60.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 488 | G | 28.9 | Very low | 32.7 | Very low | 69 Ų | 69 | 133.5 Ų | 133.5 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | 109.5 | 128.9 | 129.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 489 | T | 36 | Very low | 32.5 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 81% | 0.81 | 83% | 0.827 | S | S | * | * | trans | 168.6 | 159.1 | 148.1 | 34.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 490 | R | 32.8 | Very low | 32.1 | Very low | 234 Ų | 234 | 140.2 Ų | 140.2 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | cis | -152.6 | 155.3 | -35.1 | -112 | -178.7 | -166.2 | -179.3 | 5 | 106.5 | ||||
| 491 | F | 27.6 | Very low | 32.1 | Very low | 201 Ų | 201 | 139 Ų | 139 | 88% | 0.882 | 82% | 0.823 | S | S | * | * | trans | -72.9 | 138.5 | 172.7 | -92.3 | -102.9 | 0 | 0 | 0 | 111.6 | ||||
| 492 | L | 34.3 | Very low | 31.9 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | trans | -141.2 | 154.4 | 146.8 | -78.1 | -176.8 | 0 | 0 | 0 | 109.2 | ||||
| 493 | S | 32 | Very low | 31.7 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | trans | -140.6 | -175.8 | -169 | 67.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 494 | P | 37.1 | Very low | 31.6 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | -119.5 | 169.2 | -106.3 | 33.6 | -15.8 | 0 | 0 | 0 | 114.3 | |||||
| 495 | S | 33.8 | Very low | 31.3 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -119.9 | 153.5 | 165.6 | 60.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 496 | S | 29.4 | Very low | 31.2 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -111.9 | 144.1 | -166.5 | 56.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 497 | T | 33.4 | Very low | 31 | Very low | 148 Ų | 148 | 133.9 Ų | 133.9 | 91% | 0.908 | 81% | 0.806 | S | S | * | * | trans | -142.6 | 141.5 | 149.1 | 26.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 498 | S | 28.6 | Very low | 31.1 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -90.9 | 141 | -173.1 | 59 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 499 | N | 32 | Very low | 31.3 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | trans | -143.2 | 142 | 149.8 | -144.4 | -22.4 | 0 | 0 | 0 | 111.9 | G501 | N499-G501 PolarHBondContact O-N 3.31Š| ||
| 500 | K | 28.8 | Very low | 30.9 | Very low | 207 Ų | 207 | 132.7 Ų | 132.7 | 90% | 0.9 | 76% | 0.762 | S | S | * | * | trans | -94.4 | 92.5 | -166.9 | -69.9 | 178.6 | 179.6 | 174.4 | 0 | 111.5 | ||||
| 501 | G | 30.2 | Very low | 31.1 | Very low | 64 Ų | 64 | 123.7 Ų | 123.7 | 66% | 0.66 | 73% | 0.728 | S | S | * | * | trans | -113.1 | 115.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N499 N503 | N499-G501 PolarHBondContact O-N 3.31Å; G501-N503 PolarHBondContact O-N 3.13Å; G501-N503 VanDerWaalsContact O-N 3.13Å | ||
| 502 | G | 27.2 | Very low | 31.3 | Very low | 86 Ų | 86 | 116.9 Ų | 116.9 | 89% | 0.887 | 70% | 0.702 | S | S | * | * | trans | -79.2 | 88.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | S504 | G502-S504 PolarHBondContact O-N 3.4Š| ||
| 503 | N | 28.9 | Very low | 31.1 | Very low | 154 Ų | 154 | 113.3 Ų | 113.3 | 82% | 0.824 | 68% | 0.677 | S | S | * | * | trans | -78.9 | 104.9 | 178.2 | -83.1 | -22.7 | 0 | 0 | 0 | 112.9 | G501 V505 | G501-N503 PolarHBondContact O-N 3.13Å; G501-N503 VanDerWaalsContact O-N 3.13Å; N503-V505 PolarHBondContact O-N 3.24Å | ||
| 504 | S | 29.9 | Very low | 31.1 | Very low | 105 Ų | 105 | 110.1 Ų | 110.1 | 73% | 0.734 | 65% | 0.651 | S | S | * | * | trans | -77.3 | 101.2 | 168.3 | 61 | 0 | 0 | 0 | 0 | 110.8 | G502 | G502-S504 PolarHBondContact O-N 3.4Š| ||
| 505 | V | 30 | Very low | 30.9 | Very low | 120 Ų | 120 | 105.1 Ų | 105.1 | 73% | 0.727 | 62% | 0.617 | S | S | * | * | trans | -68.2 | 126.2 | -178.6 | -179.4 | 0 | 0 | 0 | 0 | 111.4 | N503 Q507 | N503-V505 PolarHBondContact O-N 3.24Å; V505-Q507 PolarHBondContact O-N 2.82Å | ||
| 506 | P | 30.1 | Very low | 30.9 | Very low | 101 Ų | 101 | 105.1 Ų | 105.1 | 66% | 0.656 | 61% | 0.607 | S | S | * | * | trans | -78.6 | 101 | 172.2 | 31.3 | -32.1 | 0 | 0 | 0 | 110.3 | Q508 | P506-Q508 PolarHBondContact O-N 2.61Š| ||
| 507 | Q | 30.4 | Very low | 31.2 | Very low | 149 Ų | 149 | 101.4 Ų | 101.4 | 70% | 0.696 | 58% | 0.578 | S | S | * | * | trans | -61.8 | 109.4 | 173.3 | -74.9 | -179.7 | -38.1 | 0 | 0 | 110.8 | V505 | V505-Q507 PolarHBondContact O-N 2.82Š| ||
| 508 | Q | 31.2 | Very low | 31.2 | Very low | 103 Ų | 103 | 99.1 Ų | 99.1 | 48% | 0.481 | 56% | 0.556 | S | S | . | * | trans | -120.6 | 110.5 | 173.2 | -65.4 | -161.6 | -76.2 | 0 | 0 | 111.2 | P506 | P506-Q508 PolarHBondContact O-N 2.61Š| ||
| 509 | R | 33.5 | Very low | 31.1 | Very low | 97 Ų | 97 | 99.2 Ų | 99.2 | 37% | 0.366 | 56% | 0.557 | S | S | . | * | trans | 55.9 | 51.8 | 157.4 | -151.9 | -154.3 | -139 | 111.4 | 10.9 | 117.9 | N212 R511 | N212-R509 VanDerWaalsContact OD1-CZ 3.28Å; N212-R509 PolarHBondContact OD1-NH1 2.9Å; N212-R509 PolarHBondContact OD1-NH2 3.45Å; R509-R511 PolarHBondContact O-N 2.94Å | ||
| 510 | V | 27.2 | Very low | 31 | Very low | 87 Ų | 87 | 98.7 Ų | 98.7 | 53% | 0.527 | 55% | 0.553 | S | S | . | * | trans | -79.7 | 98.8 | 146.6 | -178.2 | 0 | 0 | 0 | 0 | 107.5 | A273 T512 | A273-V510 HydrophobicContact CB-CG2 4.5Å; A273-V510 WeakPolarHBondContact O-CG2 3.5Å; V510-T512 PolarHBondContact O-N 3.49Å | ||
| 511 | R | 36.7 | Very low | 30.9 | Very low | 45 Ų | 45 | 93.9 Ų | 93.9 | 17% | 0.17 | 55% | 0.546 | C | S | . | . | trans | -79.5 | 106.1 | 161.4 | -104 | -176.6 | 163.9 | 141.1 | 1.6 | 106.5 | F45 D168 D187 R509 | F45-R511 HydrophobicContact CE2-CG 4.44Å; D168-R511 IonicContact OD2-CZ 3.41Å; D168-R511 IonicContact OD2-NE 3.52Å; D168-R511 IonicContact OD2-NH1 2.73Å; D168-R511 PolarHBondContact OD2-NH1 2.79Å; D187-R511 IonicContact OD1-CZ 2.68Å; D187-R511 IonicContact OD1-NH2 2.71Å; D187-R511 PolarHBondContact OD1-NH2 3.07Å; D187-R511 IonicContact OD2-CZ 3.41Å; D187-R511 IonicContact OD2-NE 3.55Å; D187-R511 PolarHBondContact OD2-NE 3.05Å; D187-R511 IonicContact OD2-NH1 3.25Å; D187-R511 IonicContact OD2-NH2 2.7Å; D187-R511 PolarHBondContact OD2-NH2 2.76Å; R509-R511 PolarHBondContact O-N 2.94Å | ||
| 512 | T | 31.7 | Very low | 31.1 | Very low | 57 Ų | 57 | 97.8 Ų | 97.8 | 35% | 0.35 | 55% | 0.552 | S | S | . | * | trans | -55.9 | 143.7 | 161.4 | 40.5 | 0 | 0 | 0 | 0 | 108.9 | Q42 G43 G44 V510 | Q42-T512 PolarHBondContact O-OG1 3.11Å; G43-T512 WeakPolarHBondContact CA-OG1 3.41Å; G44-T512 PolarHBondContact N-OG1 3.46Å; V510-T512 PolarHBondContact O-N 3.49Å | ||
| 513 | R | 31.1 | Very low | 31 | Very low | 102 Ų | 102 | 100.8 Ų | 100.8 | 39% | 0.385 | 55% | 0.548 | S | S | . | . | trans | -74.2 | 159.7 | -176.1 | -58 | -178.6 | -165.3 | -154.7 | 12.2 | 109.5 | I515 | R513-I515 HydrophobicContact CB-CB 4.06Å; R513-I515 HydrophobicContact CB-CG2 3.63Å; R513-I515 HydrophobicContact CG-CG2 4.42Å; R513-I515 PolarHBondContact O-N 2.7Å | ||
| 514 | L | 31.3 | Very low | 31.1 | Very low | 41 Ų | 41 | 100.6 Ų | 100.6 | 22% | 0.215 | 55% | 0.547 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 26.9 | 173.7 | -155.2 | 116.2 | 0 | 0 | 0 | 112.6 | D130 S172 L175 L517 | D130-L514 HydrophobicContact CB-CD2 4.28Å; S172-L514 VanDerWaalsContact O-CB 3.29Å; S172-L514 WeakPolarHBondContact O-CB 3.31Å; L175-L514 HydrophobicContact CD2-CD2 3.6Å; L514-L517 HydrophobicContact CB-CD1 4.46Å; L514-L517 HydrophobicContact CD2-CD1 4.26Å; L514-L517 HydrophobicContact CG-CD1 3.77Å; L514-L517 WeakPolarHBondContact O-CD1 3.43Å; L514-L517 WeakPolarHBondContact O-CG 3.32Å |
| 515 | I | 34.4 | Very low | 31 | Very low | 21 Ų | 21 | 104.1 Ų | 104.1 | 11% | 0.108 | 55% | 0.552 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -120.2 | -3 | -156.8 | -151 | 149.3 | 0 | 0 | 0 | 116.3 | E132 K136 R513 L517 | E132-I515 HydrophobicContact CB-CD1 3.99Å; E132-I515 HydrophobicContact CG-CD1 3.23Å; K136-I515 HydrophobicContact CD-CD1 3.93Å; K136-I515 VanDerWaalsContact CE-CD1 3.41Å; R513-I515 HydrophobicContact CB-CB 4.06Å; R513-I515 HydrophobicContact CB-CG2 3.63Å; R513-I515 HydrophobicContact CG-CG2 4.42Å; R513-I515 PolarHBondContact O-N 2.7Å; I515-L517 PolarHBondContact O-N 2.83Å |
| 516 | D | 32.7 | Very low | 30.9 | Very low | 125 Ų | 125 | 102.9 Ų | 102.9 | 67% | 0.668 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -91.1 | 29.4 | 179.4 | -46.3 | -40 | 0 | 0 | 0 | 110.1 | ||
| 517 | L | 35.6 | Very low | 30.9 | Very low | 38 Ų | 38 | 107.2 Ų | 107.2 | 20% | 0.199 | 56% | 0.557 | C | S | . | * | S | Bend | trans | -124.2 | -8.9 | -150.6 | -50.6 | -166.4 | 0 | 0 | 0 | 116 | I40 L514 I515 | I40-L517 WeakPolarHBondContact O-CD1 3.37Å; I40-L517 WeakPolarHBondContact O-CD2 3.15Å; L514-L517 HydrophobicContact CB-CD1 4.46Å; L514-L517 HydrophobicContact CD2-CD1 4.26Å; L514-L517 HydrophobicContact CG-CD1 3.77Å; L514-L517 WeakPolarHBondContact O-CD1 3.43Å; L514-L517 WeakPolarHBondContact O-CG 3.32Å; I515-L517 PolarHBondContact O-N 2.83Å |
| 518 | F | 33.7 | Very low | 30.9 | Very low | 101 Ų | 101 | 106 Ų | 106 | 44% | 0.443 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -133.7 | 50.3 | -174.9 | -62.5 | -70 | 0 | 0 | 0 | 111.1 | S128 | S128-F518 VanDerWaalsContact O-CE1 3.3Å; S128-F518 WeakPolarHBondContact O-CE1 3.21Å |
| 519 | S | 27.3 | Very low | 30.9 | Very low | 115 Ų | 115 | 106.7 Ų | 106.7 | 80% | 0.804 | 58% | 0.576 | S | S | * | * | trans | -148.6 | 46.3 | -179.9 | -58.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 520 | D | 29.5 | Very low | 30.7 | Very low | 154 Ų | 154 | 111.3 Ų | 111.3 | 82% | 0.824 | 60% | 0.602 | S | S | * | * | trans | -118.6 | 119.5 | 160.2 | -79.3 | -50.7 | 0 | 0 | 0 | 108.3 | D522 | D520-D522 PolarHBondContact O-N 2.89Š| ||
| 521 | S | 27.1 | Very low | 31.1 | Very low | 106 Ų | 106 | 115.2 Ų | 115.2 | 74% | 0.741 | 61% | 0.613 | S | S | * | * | trans | -95.6 | 67.6 | -178.7 | 60.3 | 0 | 0 | 0 | 0 | 111.1 | N523 | S521-N523 PolarHBondContact O-N 3.49Š| ||
| 522 | D | 32.7 | Very low | 30.9 | Very low | 147 Ų | 147 | 119 Ų | 119 | 79% | 0.786 | 64% | 0.637 | S | S | * | * | trans | -79.5 | 113.3 | 174.7 | -81.2 | -29 | 0 | 0 | 0 | 110.6 | D520 D524 | D520-D522 PolarHBondContact O-N 2.89Å; D522-D524 PolarHBondContact O-N 3.02Å; D522-D524 VanDerWaalsContact O-N 3.1Å | ||
| 523 | N | 26.7 | Very low | 31 | Very low | 149 Ų | 149 | 123.7 Ų | 123.7 | 80% | 0.797 | 66% | 0.659 | S | S | * | * | trans | -81.7 | 79.9 | -176.8 | -65.8 | -70.5 | 0 | 0 | 0 | 112.4 | S521 E525 | S521-N523 PolarHBondContact O-N 3.49Å; N523-E525 VanDerWaalsContact C-N 3.31Å; N523-E525 PolarHBondContact O-N 2.7Å | ||
| 524 | D | 30.4 | Very low | 31 | Very low | 150 Ų | 150 | 123.6 Ų | 123.6 | 80% | 0.802 | 67% | 0.674 | S | S | * | * | trans | -85.2 | 68.4 | 168.5 | -99.3 | -24.6 | 0 | 0 | 0 | 111.6 | D522 S526 | D522-D524 PolarHBondContact O-N 3.02Å; D522-D524 VanDerWaalsContact O-N 3.1Å; D524-S526 VanDerWaalsContact C-N 3.3Å; D524-S526 PolarHBondContact O-N 2.86Å; D524-S526 PolarHBondContact O-OG 2.68Å | ||
| 525 | E | 27.3 | Very low | 31.3 | Very low | 179 Ų | 179 | 130.9 Ų | 130.9 | 84% | 0.836 | 70% | 0.704 | S | S | * | * | trans | -59.8 | 81.8 | 170.8 | -96 | -76.7 | 171.1 | 0 | 0 | 111.5 | N523 | N523-E525 VanDerWaalsContact C-N 3.31Å; N523-E525 PolarHBondContact O-N 2.7Å | ||
| 526 | S | 28.2 | Very low | 31.3 | Very low | 94 Ų | 94 | 135.1 Ų | 135.1 | 66% | 0.657 | 74% | 0.736 | S | S | * | * | trans | -152.2 | 18.2 | -177.4 | 62.7 | 0 | 0 | 0 | 0 | 115.6 | D524 | D524-S526 VanDerWaalsContact C-N 3.3Å; D524-S526 PolarHBondContact O-N 2.86Å; D524-S526 PolarHBondContact O-OG 2.68Å | ||
| 527 | F | 30.2 | Very low | 31.5 | Very low | 192 Ų | 192 | 140.7 Ų | 140.7 | 84% | 0.842 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -147.2 | 143 | 167.9 | -145.9 | -111.5 | 0 | 0 | 0 | 111.8 | ||
| 528 | V | 30.8 | Very low | 31.6 | Very low | 122 Ų | 122 | 147.2 Ų | 147.2 | 74% | 0.739 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 68.3 | 73.8 | -178.7 | -161 | 0 | 0 | 0 | 0 | 115.9 | ||
| 529 | S | 31.1 | Very low | 31.8 | Very low | 119 Ų | 119 | 148.6 Ų | 148.6 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | 177.4 | 100.1 | 126.1 | -82.1 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 530 | Q | 29.2 | Very low | 32.2 | Very low | 194 Ų | 194 | 148.1 Ų | 148.1 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | trans | -110.1 | 87 | 160.5 | -82.7 | -165.7 | -21.4 | 0 | 0 | 109.9 | ||||
| 531 | H | 35.3 | Very low | 32.6 | Very low | 168 Ų | 168 | 147.8 Ų | 147.8 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | trans | -159 | 147.8 | 156.1 | -119.8 | -84.1 | 0 | 0 | 0 | 111.5 | ||||
| 532 | N | 33.8 | Very low | 33 | Very low | 126 Ų | 126 | 151.3 Ų | 151.3 | 67% | 0.674 | 79% | 0.788 | S | S | * | * | trans | 70.8 | 79.3 | 159.3 | -55.2 | -18.2 | 0 | 0 | 0 | 120.3 | ||||
| 533 | L | 33.7 | Very low | 33.2 | Very low | 154 Ų | 154 | 152.3 Ų | 152.3 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | 64.4 | 100.9 | 116.5 | -66.6 | 159.8 | 0 | 0 | 0 | 122.2 | |||||
| 534 | S | 30.4 | Very low | 33.5 | Very low | 100 Ų | 100 | 151.2 Ų | 151.2 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | 93 | 156.6 | 118 | 82.6 | 0 | 0 | 0 | 0 | 123 | |||||
| 535 | K | 37.4 | Very low | 34 | Very low | 195 Ų | 195 | 149 Ų | 149 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | 85.3 | 77.5 | 162 | -64.8 | -178.7 | -179.7 | 176.4 | 0 | 121.8 | ||||
| 536 | S | 35 | Very low | 34.5 | Very low | 110 Ų | 110 | 149 Ų | 149 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | 56.9 | 103.2 | 111.4 | 179.2 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 537 | R | 37 | Very low | 34.9 | Very low | 242 Ų | 242 | 151.3 Ų | 151.3 | 91% | 0.913 | 79% | 0.787 | S | S | * | * | -172.2 | 122.5 | 128.8 | -102.6 | 167.9 | 176.9 | 176 | -2 | 107.1 | |||||
| 538 | K | 36.7 | Very low | 35.3 | Very low | 174 Ų | 174 | 150.5 Ų | 150.5 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | cis | 88 | 130.2 | 35.8 | -120.9 | -163.8 | 173.6 | -151.3 | 0 | 115.7 | ||||
| 539 | D | 37.2 | Very low | 35.4 | Very low | 130 Ų | 130 | 149.8 Ų | 149.8 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | trans | 76.6 | 96.4 | 157.8 | -51.7 | -32.9 | 0 | 0 | 0 | 121.4 | ||||
| 540 | A | 36.5 | Very low | 35.9 | Very low | 105 Ų | 105 | 149 Ų | 149 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | trans | -152.3 | 142 | 140 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 541 | L | 37.7 | Very low | 36.3 | Very low | 147 Ų | 147 | 148 Ų | 148 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | -135.5 | 144 | -166.1 | -88.9 | 163.5 | 0 | 0 | 0 | 113.9 | ||||
| 542 | K | 35.7 | Very low | 36.5 | Very low | 180 Ų | 180 | 148.6 Ų | 148.6 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | 52.7 | 128.3 | 151.2 | -64.7 | 170.6 | 177.4 | 176.2 | 0 | 119.2 | ||||
| 543 | L | 36 | Very low | 36.8 | Very low | 169 Ų | 169 | 148.5 Ų | 148.5 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | -169 | 142.1 | 112.2 | -102.4 | 163.7 | 0 | 0 | 0 | 112.7 | |||||
| 544 | T | 33.7 | Very low | 37 | Very low | 126 Ų | 126 | 146.4 Ų | 146.4 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -156.4 | -179.5 | 171.3 | 68.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 545 | P | 41.2 | Very low | 37.8 | Very low | 103 Ų | 103 | 147.1 Ų | 147.1 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | cis | -138.1 | -159.7 | -4.4 | 32.8 | -8.3 | 0 | 0 | 0 | 114.1 | ||||
| 546 | K | 37.4 | Very low | 37.7 | Very low | 179 Ų | 179 | 146.7 Ų | 146.7 | 78% | 0.778 | 78% | 0.782 | S | S | * | * | trans | 101.6 | 135 | 138.3 | -91.9 | 176.1 | -179.9 | -178 | 0 | 122.6 | ||||
| 547 | L | 37.3 | Very low | 38 | Very low | 142 Ų | 142 | 146.1 Ų | 146.1 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | 68.6 | 151.8 | 160.3 | -86.2 | 63.4 | 0 | 0 | 0 | 116.4 | ||||
| 548 | Q | 37.9 | Very low | 37.9 | Very low | 176 Ų | 176 | 143.7 Ų | 143.7 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | cis | -152.3 | 170 | 13 | -140.9 | 164.4 | 17.5 | 0 | 0 | 113.4 | ||||
| 549 | S | 32.7 | Very low | 38.1 | Very low | 106 Ų | 106 | 145 Ų | 145 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | -157.4 | -176.2 | 169.1 | 68.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 550 | P | 42 | Very low | 38 | Very low | 104 Ų | 104 | 144.2 Ų | 144.2 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | cis | -142.6 | -149.6 | 6.1 | 40.7 | -16.9 | 0 | 0 | 0 | 114.9 | ||||
| 551 | K | 37.5 | Very low | 38.2 | Very low | 172 Ų | 172 | 148.2 Ų | 148.2 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | 103.8 | 116.3 | 165.4 | -61.5 | -176.2 | -179 | -180 | 0 | 116.3 | ||||
| 552 | Q | 40 | Very low | 38.2 | Very low | 181 Ų | 181 | 152.4 Ų | 152.4 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | 73.7 | 145.1 | 91.7 | -67.2 | 170.7 | -17.9 | 0 | 0 | 113.6 | |||||
| 553 | S | 40.7 | Very low | 38.2 | Very low | 124 Ų | 124 | 152.5 Ų | 152.5 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | cis | -141.9 | -161.1 | 24.3 | 59 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 554 | S | 36.7 | Very low | 38.3 | Very low | 110 Ų | 110 | 154.6 Ų | 154.6 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -124.6 | -153.2 | -165.8 | 58.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 555 | P | 48.4 | Very low | 38.2 | Very low | 114 Ų | 114 | 158.8 Ų | 158.8 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | -128.3 | -152.3 | -117.1 | 40.6 | -18.6 | 0 | 0 | 0 | 115.7 | |||||
| 556 | F | 35.2 | Very low | 37.9 | Very low | 186 Ų | 186 | 161.2 Ų | 161.2 | 82% | 0.816 | 81% | 0.81 | S | S | * | * | trans | 90.9 | 118.6 | 167.2 | -106.9 | -88.3 | 0 | 0 | 0 | 120.2 | ||||
| 557 | A | 40.7 | Very low | 37.9 | Very low | 99 Ų | 99 | 158.5 Ų | 158.5 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -162.5 | 150.8 | 144.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 558 | K | 35.2 | Very low | 37.7 | Very low | 190 Ų | 190 | 157.9 Ų | 157.9 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | -125.1 | 149.6 | 170.7 | -69.5 | 177.6 | 179.4 | 173.7 | 0 | 109.3 | ||||
| 559 | Q | 40.7 | Very low | 37.8 | Very low | 203 Ų | 203 | 156.3 Ų | 156.3 | 95% | 0.949 | 81% | 0.814 | S | S | * | * | trans | -152.7 | 156.9 | 151.4 | -112.4 | 179.1 | 24.8 | 0 | 0 | 111.7 | ||||
| 560 | S | 34.4 | Very low | 37.7 | Very low | 113 Ų | 113 | 156.7 Ų | 156.7 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | trans | -152 | 127.9 | -171.1 | 59.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 561 | Q | 41.5 | Very low | 37.5 | Very low | 189 Ų | 189 | 157.7 Ų | 157.7 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | trans | -156.2 | 157.4 | 166.2 | -73.1 | -159.8 | 28.5 | 0 | 0 | 109.2 | ||||
| 562 | R | 37.8 | Very low | 37.1 | Very low | 235 Ų | 235 | 156.1 Ų | 156.1 | 89% | 0.887 | 83% | 0.832 | S | S | * | * | cis | -159.6 | 156.6 | -30.9 | -172.4 | 170.6 | -179.9 | -176.4 | 0.3 | 107.1 | ||||
| 563 | Q | 36 | Very low | 36.9 | Very low | 182 Ų | 182 | 152.7 Ų | 152.7 | 85% | 0.85 | 83% | 0.828 | S | S | * | * | trans | -75.2 | 155.7 | -173.8 | -58.9 | 168.8 | -7.1 | 0 | 0 | 114.6 | ||||
| 564 | K | 37.7 | Very low | 36.7 | Very low | 212 Ų | 212 | 156.3 Ų | 156.3 | 92% | 0.922 | 83% | 0.828 | S | S | * | * | trans | -153.4 | 165.8 | 137.9 | -110.1 | 172.5 | -175.9 | -177.6 | 0 | 110.6 | ||||
| 565 | R | 31.7 | Very low | 36.3 | Very low | 215 Ų | 215 | 159.1 Ų | 159.1 | 81% | 0.811 | 83% | 0.834 | S | S | * | * | trans | -152 | 155.2 | -156.7 | -132.8 | -173 | -172.8 | -159.9 | 5.4 | 112.6 | ||||
| 566 | Q | 35.4 | Very low | 35.7 | Very low | 154 Ų | 154 | 163.7 Ų | 163.7 | 72% | 0.72 | 84% | 0.842 | S | S | * | * | trans | 67.1 | 167.1 | 154 | -81.3 | 179.9 | -2.7 | 0 | 0 | 119.1 | ||||
| 567 | P | 37.2 | Very low | 35.5 | Very low | 121 Ų | 121 | 160.3 Ų | 160.3 | 79% | 0.786 | 84% | 0.841 | S | S | * | * | cis | -130.6 | -167.9 | -18.5 | 28.7 | -6.1 | 0 | 0 | 0 | 114.6 | ||||
| 568 | V | 32.5 | Very low | 35.3 | Very low | 130 Ų | 130 | 161.1 Ų | 161.1 | 79% | 0.788 | 84% | 0.838 | S | S | * | * | trans | -81.1 | 145 | -177 | -176.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 569 | T | 39.6 | Very low | 35.1 | Very low | 142 Ų | 142 | 160.8 Ų | 160.8 | 87% | 0.871 | 84% | 0.839 | S | S | * | * | trans | -137.9 | 166.2 | 147 | 54.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 570 | S | 30.8 | Very low | 34.5 | Very low | 115 Ų | 115 | 161 Ų | 161 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | trans | -131.4 | 142.1 | -172.6 | 57.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 571 | S | 38 | Very low | 34.5 | Very low | 125 Ų | 125 | 161.3 Ų | 161.3 | 87% | 0.874 | 84% | 0.835 | S | S | * | * | trans | -145.1 | 146.9 | 163.5 | 61.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 572 | T | 30 | Very low | 33.8 | Very low | 138 Ų | 138 | 158 Ų | 158 | 85% | 0.847 | 83% | 0.833 | S | S | * | * | trans | -119.5 | 139.1 | -177.9 | 49.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 573 | S | 35.6 | Very low | 33.5 | Very low | 110 Ų | 110 | 154.3 Ų | 154.3 | 77% | 0.769 | 83% | 0.829 | S | S | * | * | trans | -164.7 | 145.3 | 144.6 | 50 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 574 | K | 36 | Very low | 33.2 | Very low | 199 Ų | 199 | 152.5 Ų | 152.5 | 87% | 0.865 | 83% | 0.831 | S | S | * | * | trans | 59.9 | 113.8 | 145.6 | -69.6 | 173 | 179.7 | 177.9 | 0 | 120.3 | ||||
| 575 | L | 28.2 | Very low | 32.9 | Very low | 170 Ų | 170 | 146.3 Ų | 146.3 | 89% | 0.89 | 82% | 0.819 | S | S | * | * | trans | -63.8 | 153.1 | 165 | -57.5 | 77.6 | 0 | 0 | 0 | 112.1 | ||||
| 576 | K | 35.5 | Very low | 32.9 | Very low | 210 Ų | 210 | 141.7 Ų | 141.7 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | trans | -135.2 | 141.5 | 134.6 | -78.1 | -168 | 174.7 | -176.2 | 0 | 108.9 | ||||
| 577 | S | 31.7 | Very low | 32.7 | Very low | 114 Ų | 114 | 144.9 Ų | 144.9 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | -82.8 | 162.3 | 170.8 | 42.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 578 | P | 36.5 | Very low | 32.5 | Very low | 117 Ų | 117 | 145.5 Ų | 145.5 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | -131.1 | -179.5 | 125.7 | 37.6 | -29.7 | 0 | 0 | 0 | 113.2 | |||||
| 579 | E | 30.6 | Very low | 32.4 | Very low | 182 Ų | 182 | 149.7 Ų | 149.7 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | -72 | 167.9 | -162.2 | -62 | 128.9 | 123.9 | 0 | 0 | 116.4 | ||||
| 580 | F | 28.6 | Very low | 32.3 | Very low | 209 Ų | 209 | 145.3 Ų | 145.3 | 92% | 0.917 | 78% | 0.78 | S | S | * | * | trans | -117.5 | 83.5 | -174.9 | -151.6 | -81.6 | 0 | 0 | 0 | 111.1 | ||||
| 581 | T | 32.9 | Very low | 32.4 | Very low | 119 Ų | 119 | 141.8 Ų | 141.8 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | trans | -77 | 140.7 | 174.5 | 45.1 | 0 | 0 | 0 | 0 | 111.7 | L583 | T581-L583 PolarHBondContact O-N 2.82Å; T581-L583 VanDerWaalsContact O-N 3.12Å | ||
| 582 | S | 27.9 | Very low | 32.3 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | trans | -81.1 | 94.4 | -168.9 | 53.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 583 | L | 30.6 | Very low | 32.9 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | trans | -101.1 | 125.7 | 166.8 | -77 | 168.7 | 0 | 0 | 0 | 111.7 | T581 A585 | T581-L583 PolarHBondContact O-N 2.82Å; T581-L583 VanDerWaalsContact O-N 3.12Å; L583-A585 PolarHBondContact O-N 3.34Å | ||
| 584 | T | 29.9 | Very low | 33.4 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 88% | 0.883 | 69% | 0.691 | S | S | * | * | trans | -72 | 90.6 | -177.7 | 35.8 | 0 | 0 | 0 | 0 | 111.4 | D586 | T584-D586 PolarHBondContact O-N 2.95Š| ||
| 585 | A | 30.9 | Very low | 34.1 | Very low | 82 Ų | 82 | 126.8 Ų | 126.8 | 68% | 0.678 | 66% | 0.656 | S | S | * | * | trans | -67.3 | 93 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | L583 R587 | L583-A585 PolarHBondContact O-N 3.34Å; A585-R587 VanDerWaalsContact C-N 3.29Å; A585-R587 PolarHBondContact O-N 2.95Å | ||
| 586 | D | 31.6 | Very low | 35.4 | Very low | 118 Ų | 118 | 118.9 Ų | 118.9 | 63% | 0.631 | 62% | 0.615 | S | S | * | * | trans | -60.9 | 86.9 | 168.5 | 178.5 | 26.4 | 0 | 0 | 0 | 110.7 | T584 R588 | T584-D586 PolarHBondContact O-N 2.95Å; D586-R588 VanDerWaalsContact C-N 3.27Å; D586-R588 PolarHBondContact O-N 3.19Å; D586-R588 IonicContact OD2-NE 3.43Å; D586-R588 PolarHBondContact OD2-NE 3.21Å | ||
| 587 | R | 31.6 | Very low | 36.7 | Very low | 222 Ų | 222 | 114.1 Ų | 114.1 | 84% | 0.838 | 61% | 0.606 | S | S | * | * | trans | -77.6 | 77.8 | 177.5 | -77.5 | -177 | 168 | -180 | -1.5 | 110.2 | A585 R589 | A585-R587 VanDerWaalsContact C-N 3.29Å; A585-R587 PolarHBondContact O-N 2.95Å; R587-R589 VanDerWaalsContact C-N 3.3Å; R587-R589 PolarHBondContact O-N 2.93Å | ||
| 588 | R | 32.6 | Very low | 38.2 | Very low | 134 Ų | 134 | 111.5 Ų | 111.5 | 51% | 0.506 | 58% | 0.581 | S | S | . | * | trans | -55 | 91 | 164.2 | -66.4 | -169.5 | -179.2 | -154.4 | -2.3 | 110.2 | D277 D586 S590 | D277-R588 IonicContact OD2-CZ 3.36Å; D277-R588 IonicContact OD2-NH1 3.44Å; D277-R588 IonicContact OD2-NH2 2.69Å; D277-R588 PolarHBondContact OD2-NH2 2.77Å; D586-R588 VanDerWaalsContact C-N 3.27Å; D586-R588 PolarHBondContact O-N 3.19Å; D586-R588 IonicContact OD2-NE 3.43Å; D586-R588 PolarHBondContact OD2-NE 3.21Å; R588-S590 PolarHBondContact O-N 3.17Å | ||
| 589 | R | 31.3 | Very low | 39.5 | Very low | 217 Ų | 217 | 106 Ų | 106 | 82% | 0.819 | 55% | 0.545 | S | S | * | . | trans | -64.8 | 112.9 | 164.4 | -78.6 | -173.2 | 172.3 | -150 | 1.6 | 107.2 | R587 | R587-R589 VanDerWaalsContact C-N 3.3Å; R587-R589 PolarHBondContact O-N 2.93Å | ||
| 590 | S | 37.6 | Very low | 41.2 | Very low | 50 Ų | 50 | 99.7 Ų | 99.7 | 35% | 0.35 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 141.4 | 162.1 | 37.4 | 0 | 0 | 0 | 0 | 109.4 | A11 R588 W592 | A11-S590 VanDerWaalsContact CB-OG 3.29Å; A11-S590 WeakPolarHBondContact CB-OG 3.33Å; R588-S590 PolarHBondContact O-N 3.17Å; S590-W592 PolarHBondContact O-N 2.9Å |
| 591 | G | 33.6 | Very low | 43.4 | Very low | 42 Ų | 42 | 92.4 Ų | 92.4 | 43% | 0.433 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 124.4 | -160.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 592 | W | 34.7 | Very low | 45.3 | Very low | 174 Ų | 174 | 89.1 Ų | 89.1 | 66% | 0.659 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 142.5 | 151.2 | -77 | 66.1 | 0 | 0 | 0 | 108 | S590 L600 | S590-W592 PolarHBondContact O-N 2.9Å; W592-L600 HydrophobicContact CE3-CD1 3.74Å; W592-L600 HydrophobicContact CZ3-CD1 4.29Å |
| 593 | C | 42.5 | Very low | 47.4 | Very low | 27 Ų | 27 | 84.2 Ų | 84.2 | 18% | 0.182 | 44% | 0.442 | C | S | . | . | trans | -44 | 136.7 | -171 | -35.3 | 0 | 0 | 0 | 0 | 112.9 | G71 F74 T595 | G71-C593 WeakPolarHBondContact CA-SG 3.35Å; F74-C593 HydrophobicContact CD1-CB 4.1Å; C593-T595 HydrophobicContact CB-CG2 3.96Å; C593-T595 PolarHBondContact O-N 3.04Å; C593-T595 PolarHBondContact O-OG1 3.09Å | ||
| 594 | Q | 47.3 | Very low | 49.6 | Very low | 33 Ų | 33 | 81.8 Ų | 81.8 | 15% | 0.154 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -69.9 | 51.8 | -165.5 | -55.6 | 95.1 | -58.2 | 0 | 0 | 114.8 | G189 L190 | G189-Q594 PolarHBondContact O-NE2 3.29Å; L190-Q594 VanDerWaalsContact CD2-NE2 3.3Å |
| 595 | T | 50.4 | Low | 52.1 | Low | 22 Ų | 22 | 77.9 Ų | 77.9 | 14% | 0.135 | 41% | 0.407 | C | S | . | . | trans | -127.1 | 158.8 | -155.3 | 63.2 | 0 | 0 | 0 | 0 | 112.7 | F74 T75 C593 L599 | F74-T595 HydrophobicContact CD1-CG2 4.35Å; F74-T595 HydrophobicContact CE1-CG2 4.47Å; T75-T595 HydrophobicContact CG2-CG2 3.79Å; T75-T595 WeakPolarHBondContact OG1-CG2 3.3Å; C593-T595 HydrophobicContact CB-CG2 3.96Å; C593-T595 PolarHBondContact O-N 3.04Å; C593-T595 PolarHBondContact O-OG1 3.09Å; T595-L599 VanDerWaalsContact CB-CB 3.48Å; T595-L599 HydrophobicContact CG2-CB 4.12Å; T595-L599 HydrophobicContact CG2-CD1 4.19Å | ||
| 596 | S | 54.2 | Low | 54.3 | Low | 4 Ų | 4 | 76.4 Ų | 76.4 | 3% | 0.028 | 39% | 0.386 | C | S | . | . | trans | -64.5 | 163.4 | 176.4 | 63.5 | 0 | 0 | 0 | 0 | 112.2 | L193 E598 L599 L600 | L193-S596 WeakPolarHBondContact CD2-OG 3.45Å; S596-E598 PolarHBondContact O-N 2.91Å; S596-E598 VanDerWaalsContact O-N 3.09Å; S596-L599 PolarHBondContact O-N 3.43Å; S596-L600 PolarHBondContact O-N 3.34Å | ||
| 597 | P | 63.7 | Low | 56.5 | Low | 111 Ų | 111 | 73.3 Ų | 73.3 | 72% | 0.721 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -52.9 | -31.8 | 175.1 | -28.3 | 36.6 | 0 | 0 | 0 | 114 | A601 | P597-A601 WeakPolarHBondContact O-CB 3.29Å; P597-A601 PolarHBondContact O-N 2.97Å |
| 598 | E | 62.8 | Low | 58.9 | Low | 58 Ų | 58 | 68.3 Ų | 68.3 | 27% | 0.271 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64 | -50.9 | 174.5 | -52.8 | 164.8 | -178.7 | 0 | 0 | 112.2 | R82 L193 S196 S596 L600 A601 V602 | R82-E598 IonicContact CZ-OE2 3.71Å; R82-E598 IonicContact NH1-OE2 3.75Å; R82-E598 PolarHBondContact NH1-OE2 3.41Å; R82-E598 IonicContact NH2-OE2 3.4Å; L193-E598 WeakPolarHBondContact CD2-OE2 3.32Å; S196-E598 PolarHBondContact OG-OE1 3.23Å; S596-E598 PolarHBondContact O-N 2.91Å; S596-E598 VanDerWaalsContact O-N 3.09Å; E598-L600 VanDerWaalsContact C-N 3.33Å; E598-A601 CarbonylContact O-C 3.56Å; E598-A601 WeakPolarHBondContact O-CA 3.26Å; E598-A601 VanDerWaalsContact O-CB 3.29Å; E598-A601 WeakPolarHBondContact O-CB 3.49Å; E598-A601 PolarHBondContact O-N 2.91Å; E598-V602 WeakPolarHBondContact O-CG2 3.46Å; E598-V602 PolarHBondContact O-N 2.86Å |
| 599 | L | 63.6 | Low | 61.4 | Low | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.016 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -71.2 | -32.7 | -178.5 | -74.6 | 174.6 | 0 | 0 | 0 | 111.1 | H78 T595 S596 A601 V602 A603 | H78-L599 HydrophobicContact CB-CD2 3.52Å; T595-L599 VanDerWaalsContact CB-CB 3.48Å; T595-L599 HydrophobicContact CG2-CB 4.12Å; T595-L599 HydrophobicContact CG2-CD1 4.19Å; S596-L599 PolarHBondContact O-N 3.43Å; L599-A601 VanDerWaalsContact C-N 3.28Å; L599-A601 PolarHBondContact O-N 2.87Å; L599-V602 PolarHBondContact O-N 3.42Å; L599-A603 WeakPolarHBondContact O-CB 3.29Å; L599-A603 PolarHBondContact O-N 3.34Å |
| 600 | L | 67.8 | Low | 63.5 | Low | 49 Ų | 49 | 57.3 Ų | 57.3 | 26% | 0.257 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.2 | -32.8 | 167 | -179.8 | 61.5 | 0 | 0 | 0 | 111.9 | W592 S596 E598 K604 | W592-L600 HydrophobicContact CE3-CD1 3.74Å; W592-L600 HydrophobicContact CZ3-CD1 4.29Å; S596-L600 PolarHBondContact O-N 3.34Å; E598-L600 VanDerWaalsContact C-N 3.33Å; L600-K604 WeakPolarHBondContact O-CB 3.4Å; L600-K604 WeakPolarHBondContact O-CD 3.43Å; L600-K604 WeakPolarHBondContact O-CG 3.25Å; L600-K604 PolarHBondContact O-N 3.05Å; L600-K604 VanDerWaalsContact O-N 3.1Å |
| 601 | A | 74.5 | Confident | 65.5 | Low | 55 Ų | 55 | 61.2 Ų | 61.2 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.6 | -40.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P597 E598 L599 K604 A605 | P597-A601 WeakPolarHBondContact O-CB 3.29Å; P597-A601 PolarHBondContact O-N 2.97Å; E598-A601 CarbonylContact O-C 3.56Å; E598-A601 WeakPolarHBondContact O-CA 3.26Å; E598-A601 VanDerWaalsContact O-CB 3.29Å; E598-A601 WeakPolarHBondContact O-CB 3.49Å; E598-A601 PolarHBondContact O-N 2.91Å; L599-A601 VanDerWaalsContact C-N 3.28Å; L599-A601 PolarHBondContact O-N 2.87Å; A601-K604 PolarHBondContact O-N 2.86Å; A601-A605 WeakPolarHBondContact O-CB 3.37Å; A601-A605 PolarHBondContact O-N 2.87Å |
| 602 | V | 73.3 | Confident | 68 | Low | 51 Ų | 51 | 62 Ų | 62 | 31% | 0.309 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 172.5 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | F74 H78 E598 L599 K604 A605 E606 | F74-V602 HydrophobicContact CZ-CB 4.47Å; F74-V602 HydrophobicContact CZ-CG1 4.31Å; H78-V602 WeakPolarHBondContact NE2-CG1 3.46Å; E598-V602 WeakPolarHBondContact O-CG2 3.46Å; E598-V602 PolarHBondContact O-N 2.86Å; L599-V602 PolarHBondContact O-N 3.42Å; V602-K604 VanDerWaalsContact C-N 3.3Å; V602-K604 PolarHBondContact O-N 3.08Å; V602-A605 WeakPolarHBondContact O-CB 3.49Å; V602-A605 PolarHBondContact O-N 3.35Å; V602-A605 VanDerWaalsContact O-N 3.08Å; V602-E606 PolarHBondContact O-N 3.31Å |
| 603 | A | 71 | Confident | 70.3 | Confident | 16 Ų | 16 | 58.8 Ų | 58.8 | 13% | 0.132 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.5 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F74 L599 A607 | F74-A603 HydrophobicContact CD1-CB 4.48Å; F74-A603 HydrophobicContact CE1-CB 3.64Å; F74-A603 HydrophobicContact CE2-CB 4.4Å; F74-A603 HydrophobicContact CZ-CB 3.58Å; L599-A603 WeakPolarHBondContact O-CB 3.29Å; L599-A603 PolarHBondContact O-N 3.34Å; A603-A607 WeakPolarHBondContact O-CB 3.45Å; A603-A607 PolarHBondContact O-N 2.84Å |
| 604 | K | 76.4 | Confident | 72 | Confident | 106 Ų | 106 | 63.6 Ų | 63.6 | 46% | 0.461 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 173.9 | -73.3 | 166.3 | -178 | 173.8 | 0 | 111.7 | L600 A601 V602 A607 L608 | L600-K604 WeakPolarHBondContact O-CB 3.4Å; L600-K604 WeakPolarHBondContact O-CD 3.43Å; L600-K604 WeakPolarHBondContact O-CG 3.25Å; L600-K604 PolarHBondContact O-N 3.05Å; L600-K604 VanDerWaalsContact O-N 3.1Å; A601-K604 PolarHBondContact O-N 2.86Å; V602-K604 VanDerWaalsContact C-N 3.3Å; V602-K604 PolarHBondContact O-N 3.08Å; K604-A607 PolarHBondContact O-N 3.45Å; K604-L608 WeakPolarHBondContact O-CB 3.43Å; K604-L608 VanDerWaalsContact O-CG 3.25Å; K604-L608 WeakPolarHBondContact O-CG 3.4Å; K604-L608 PolarHBondContact O-N 2.89Å |
| 605 | A | 83.1 | Confident | 73.8 | Confident | 61 Ų | 61 | 66.2 Ų | 66.2 | 50% | 0.504 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | A601 V602 A607 L608 G609 | A601-A605 WeakPolarHBondContact O-CB 3.37Å; A601-A605 PolarHBondContact O-N 2.87Å; V602-A605 WeakPolarHBondContact O-CB 3.49Å; V602-A605 PolarHBondContact O-N 3.35Å; V602-A605 VanDerWaalsContact O-N 3.08Å; A605-A607 VanDerWaalsContact C-N 3.33Å; A605-A607 PolarHBondContact O-N 3.22Å; A605-L608 PolarHBondContact O-N 3.06Å; A605-G609 PolarHBondContact O-N 3.16Å |
| 606 | E | 77.2 | Confident | 75.4 | Confident | 52 Ų | 52 | 67.4 Ų | 67.4 | 24% | 0.243 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -57.9 | -44.6 | 172.5 | -74.4 | -167 | -179.6 | 0 | 0 | 111.8 | R120 V602 G609 R610 | R120-E606 IonicContact NH2-OE2 3.19Å; R120-E606 PolarHBondContact NH2-OE2 3.27Å; V602-E606 PolarHBondContact O-N 3.31Å; E606-G609 PolarHBondContact O-N 2.81Å; E606-R610 WeakPolarHBondContact O-CB 3.34Å; E606-R610 WeakPolarHBondContact O-CG 3.41Å; E606-R610 PolarHBondContact O-N 3.22Å; E606-R610 PolarHBondContact O-NE 3.5Å; E606-R610 IonicContact OE2-CZ 2.7Å; E606-R610 IonicContact OE2-NH2 2.68Å; E606-R610 PolarHBondContact OE2-NH2 3.1Å |
| 607 | A | 76.4 | Confident | 76.7 | Confident | 52 Ų | 52 | 72 Ų | 72 | 43% | 0.43 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.7 | -37.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A603 K604 A605 K611 | A603-A607 WeakPolarHBondContact O-CB 3.45Å; A603-A607 PolarHBondContact O-N 2.84Å; K604-A607 PolarHBondContact O-N 3.45Å; A605-A607 VanDerWaalsContact C-N 3.33Å; A605-A607 PolarHBondContact O-N 3.22Å; A607-K611 WeakPolarHBondContact O-CB 3.22Å; A607-K611 PolarHBondContact O-N 2.84Å |
| 608 | L | 83.6 | Confident | 77.5 | Confident | 117 Ų | 117 | 73 Ų | 73 | 61% | 0.613 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -68.3 | -43.5 | 173.6 | -73.9 | 169.8 | 0 | 0 | 0 | 111.5 | K604 A605 K611 A612 | K604-L608 WeakPolarHBondContact O-CB 3.43Å; K604-L608 VanDerWaalsContact O-CG 3.25Å; K604-L608 WeakPolarHBondContact O-CG 3.4Å; K604-L608 PolarHBondContact O-N 2.89Å; A605-L608 PolarHBondContact O-N 3.06Å; L608-K611 PolarHBondContact O-N 3.3Å; L608-K611 VanDerWaalsContact O-N 3.15Å; L608-A612 PolarHBondContact O-N 2.98Å |
| 609 | G | 84.2 | Confident | 78 | Confident | 42 Ų | 42 | 76.6 Ų | 76.6 | 43% | 0.433 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A605 E606 K611 A612 L613 | A605-G609 PolarHBondContact O-N 3.16Å; E606-G609 PolarHBondContact O-N 2.81Å; G609-K611 VanDerWaalsContact C-N 3.31Å; G609-K611 PolarHBondContact O-N 2.91Å; G609-A612 PolarHBondContact O-N 3.01Å; G609-L613 PolarHBondContact O-N 2.93Å |
| 610 | R | 75.1 | Confident | 77.9 | Confident | 79 Ų | 79 | 85.2 Ų | 85.2 | 30% | 0.298 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.5 | -33.1 | 173.7 | -75.1 | -177.8 | -98.9 | 153.1 | -3.5 | 112.9 | Q68 E606 K614 | Q68-R610 VanDerWaalsContact CD-CZ 3.48Å; Q68-R610 VanDerWaalsContact OE1-CD 3.27Å; E606-R610 WeakPolarHBondContact O-CB 3.34Å; E606-R610 WeakPolarHBondContact O-CG 3.41Å; E606-R610 PolarHBondContact O-N 3.22Å; E606-R610 PolarHBondContact O-NE 3.5Å; E606-R610 IonicContact OE2-CZ 2.7Å; E606-R610 IonicContact OE2-NH2 2.68Å; E606-R610 PolarHBondContact OE2-NH2 3.1Å; R610-K614 WeakPolarHBondContact O-CG 3.44Å; R610-K614 PolarHBondContact O-N 3.49Å |
| 611 | K | 81 | Confident | 76.8 | Confident | 132 Ų | 132 | 92.3 Ų | 92.3 | 57% | 0.574 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -70.8 | -40.6 | 172.8 | -171.1 | -175.7 | 177.2 | -169.4 | 0 | 111.9 | A607 L608 G609 K614 L615 | A607-K611 WeakPolarHBondContact O-CB 3.22Å; A607-K611 PolarHBondContact O-N 2.84Å; L608-K611 PolarHBondContact O-N 3.3Å; L608-K611 VanDerWaalsContact O-N 3.15Å; G609-K611 VanDerWaalsContact C-N 3.31Å; G609-K611 PolarHBondContact O-N 2.91Å; K611-K614 PolarHBondContact O-N 3.43Å; K611-L615 HydrophobicContact CG-CD1 4.2Å; K611-L615 WeakPolarHBondContact O-CG 3.42Å; K611-L615 PolarHBondContact O-N 3.03Å |
| 612 | A | 85.5 | Confident | 76.9 | Confident | 59 Ų | 59 | 94.2 Ų | 94.2 | 49% | 0.488 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L608 G609 K614 L615 A616 | L608-A612 PolarHBondContact O-N 2.98Å; G609-A612 PolarHBondContact O-N 3.01Å; A612-K614 PolarHBondContact O-N 3.15Å; A612-L615 PolarHBondContact O-N 3.18Å; A612-A616 PolarHBondContact O-N 2.96Å |
| 613 | L | 81.7 | Confident | 77.1 | Confident | 105 Ų | 105 | 96.5 Ų | 96.5 | 55% | 0.55 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -56.9 | -51.2 | 174.3 | -164.9 | 90.3 | 0 | 0 | 0 | 111.3 | G609 L615 A616 E617 | G609-L613 PolarHBondContact O-N 2.93Å; L613-L615 VanDerWaalsContact C-N 3.28Å; L613-L615 PolarHBondContact O-N 3.25Å; L613-A616 WeakPolarHBondContact O-CB 3.48Å; L613-A616 PolarHBondContact O-N 3.24Å; L613-E617 WeakPolarHBondContact CD2-OE1 3.48Å; L613-E617 WeakPolarHBondContact O-CG 3.2Å; L613-E617 PolarHBondContact O-N 3.04Å |
| 614 | K | 80.3 | Confident | 77.4 | Confident | 129 Ų | 129 | 100.9 Ų | 100.9 | 56% | 0.561 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.9 | -32.7 | 178.1 | -73.7 | -174 | 176 | -169.2 | 0 | 113.7 | R610 K611 A612 E617 M618 | R610-K614 WeakPolarHBondContact O-CG 3.44Å; R610-K614 PolarHBondContact O-N 3.49Å; K611-K614 PolarHBondContact O-N 3.43Å; A612-K614 PolarHBondContact O-N 3.15Å; K614-E617 WeakPolarHBondContact CA-OE2 3.41Å; K614-M618 WeakPolarHBondContact O-CB 3.38Å; K614-M618 WeakPolarHBondContact O-CG 3.47Å; K614-M618 PolarHBondContact O-N 3.34Å |
| 615 | L | 83.9 | Confident | 77.5 | Confident | 88 Ų | 88 | 100.6 Ų | 100.6 | 46% | 0.461 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -74 | -31.3 | 174.7 | -72.5 | 170.1 | 0 | 0 | 0 | 112.3 | K611 A612 L613 N619 | K611-L615 HydrophobicContact CG-CD1 4.2Å; K611-L615 WeakPolarHBondContact O-CG 3.42Å; K611-L615 PolarHBondContact O-N 3.03Å; A612-L615 PolarHBondContact O-N 3.18Å; L613-L615 VanDerWaalsContact C-N 3.28Å; L613-L615 PolarHBondContact O-N 3.25Å; L615-N619 WeakPolarHBondContact O-CB 3.43Å; L615-N619 PolarHBondContact O-N 3.35Å; L615-N619 PolarHBondContact O-ND2 3.28Å; L615-N619 PolarHBondContact O-OD1 3.12Å |
| 616 | A | 84.3 | Confident | 77.1 | Confident | 46 Ų | 46 | 103.1 Ų | 103.1 | 38% | 0.38 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68 | -47.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A612 L613 M618 N619 F620 | A612-A616 PolarHBondContact O-N 2.96Å; L613-A616 WeakPolarHBondContact O-CB 3.48Å; L613-A616 PolarHBondContact O-N 3.24Å; A616-M618 PolarHBondContact O-N 3.05Å; A616-N619 PolarHBondContact O-N 2.91Å; A616-F620 WeakPolarHBondContact O-CD2 3.34Å; A616-F620 PolarHBondContact O-N 3.12Å |
| 617 | E | 82.1 | Confident | 77.1 | Confident | 101 Ų | 101 | 106.5 Ų | 106.5 | 47% | 0.472 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -55.6 | -36.3 | 174.8 | -68.7 | 166.8 | 167.5 | 0 | 0 | 112.3 | L613 K614 N621 | L613-E617 WeakPolarHBondContact CD2-OE1 3.48Å; L613-E617 WeakPolarHBondContact O-CG 3.2Å; L613-E617 PolarHBondContact O-N 3.04Å; K614-E617 WeakPolarHBondContact CA-OE2 3.41Å; E617-N621 PolarHBondContact O-ND2 3.41Å |
| 618 | M | 79.6 | Confident | 77.2 | Confident | 132 Ų | 132 | 110.4 Ų | 110.4 | 65% | 0.65 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -12.4 | 175.7 | -73.8 | 173.7 | -180 | 0 | 0 | 115.2 | K614 A616 | K614-M618 WeakPolarHBondContact O-CB 3.38Å; K614-M618 WeakPolarHBondContact O-CG 3.47Å; K614-M618 PolarHBondContact O-N 3.34Å; A616-M618 PolarHBondContact O-N 3.05Å |
| 619 | N | 72.9 | Confident | 76.7 | Confident | 134 Ų | 134 | 109.9 Ų | 109.9 | 72% | 0.717 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | -2.6 | 178.8 | -71.3 | -6.3 | 0 | 0 | 0 | 112.8 | L615 A616 | L615-N619 WeakPolarHBondContact O-CB 3.43Å; L615-N619 PolarHBondContact O-N 3.35Å; L615-N619 PolarHBondContact O-ND2 3.28Å; L615-N619 PolarHBondContact O-OD1 3.12Å; A616-N619 PolarHBondContact O-N 2.91Å |
| 620 | F | 61.6 | Low | 76.1 | Confident | 183 Ų | 183 | 115.6 Ų | 115.6 | 80% | 0.803 | 59% | 0.585 | S | S | * | * | trans | -110.5 | 10.3 | 176.8 | -87.9 | -78.4 | 0 | 0 | 0 | 113 | A616 | A616-F620 WeakPolarHBondContact O-CD2 3.34Å; A616-F620 PolarHBondContact O-N 3.12Å | ||
| 621 | N | 45 | Very low | 76.2 | Confident | 199 Ų | 199 | 118.9 Ų | 118.9 | 100% | 1.064 | 61% | 0.611 | S | S | * | * | trans | -128.2 | 0 | 170.7 | -67 | -90.1 | 0 | 0 | 0 | 109.5 | E617 | E617-N621 PolarHBondContact O-ND2 3.41Š|
Retrieved 621 of 621 residues in 1300.4 ms
(Link to these results)