| 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 | 37 | Very low | 35.2 | Very low | 240 Ų | 240 | 154.2 Ų | 154.2 | 100% | 1.182 | 77% | 0.769 | S | S | * | * | 0 | 86.6 | 0 | -75.8 | 164.4 | 63.4 | 0 | 0 | 110.3 | |||||
| 2 | K | 40.1 | Very low | 34.9 | Very low | 189 Ų | 189 | 154.5 Ų | 154.5 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -149.8 | 68.8 | 168.4 | -79.8 | -167.7 | 175.1 | -178.3 | 0 | 109.1 | H4 | K2-H4 PolarHBondContact O-N 2.66Å; K2-H4 PolarHBondContact O-ND1 3.3Å | ||
| 3 | L | 34.6 | Very low | 34.8 | Very low | 173 Ų | 173 | 158.8 Ų | 158.8 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | trans | -81.5 | 94.6 | 172.7 | -156.7 | 75.2 | 0 | 0 | 0 | 107 | L5 | L3-L5 PolarHBondContact O-N 3.17Š| ||
| 4 | H | 39 | Very low | 34.4 | Very low | 149 Ų | 149 | 157.3 Ų | 157.3 | 69% | 0.69 | 77% | 0.772 | S | S | * | * | trans | -78.6 | 101.5 | 175.5 | -74.6 | 73.5 | 0 | 0 | 0 | 108.3 | K2 I6 | K2-H4 PolarHBondContact O-N 2.66Å; K2-H4 PolarHBondContact O-ND1 3.3Å; H4-I6 VanDerWaalsContact C-N 3.27Å; H4-I6 HydrophobicContact CB-CG1 4.44Å; H4-I6 PolarHBondContact O-N 3.48Å | ||
| 5 | L | 36 | Very low | 34.4 | Very low | 148 Ų | 148 | 152.1 Ų | 152.1 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | trans | -71.7 | 84 | 170.7 | -167 | 73.4 | 0 | 0 | 0 | 108.2 | L3 I7 | L3-L5 PolarHBondContact O-N 3.17Å; L5-I7 HydrophobicContact CD2-CD1 4.31Å; L5-I7 HydrophobicContact CD2-CG1 4.32Å; L5-I7 HydrophobicContact CG-CG1 4.17Å; L5-I7 PolarHBondContact O-N 2.03Å; L5-I7 VanDerWaalsContact O-N 3.13Å | ||
| 6 | I | 37.6 | Very low | 34.6 | Very low | 136 Ų | 136 | 151.6 Ų | 151.6 | 70% | 0.697 | 76% | 0.758 | S | S | * | * | trans | -78.4 | 94.1 | 171.1 | -61 | 173.7 | 0 | 0 | 0 | 106.4 | H4 L8 | H4-I6 VanDerWaalsContact C-N 3.27Å; H4-I6 HydrophobicContact CB-CG1 4.44Å; H4-I6 PolarHBondContact O-N 3.48Å; I6-L8 VanDerWaalsContact C-N 3.31Å; I6-L8 HydrophobicContact CG2-CD1 4.03Å; I6-L8 PolarHBondContact O-N 2.97Å | ||
| 7 | I | 36.2 | Very low | 35.3 | Very low | 116 Ų | 116 | 150.5 Ų | 150.5 | 60% | 0.595 | 75% | 0.75 | S | S | * | * | trans | -68.1 | 95.9 | 168.7 | -62.2 | 171.8 | 0 | 0 | 0 | 106 | L5 F9 | L5-I7 HydrophobicContact CD2-CD1 4.31Å; L5-I7 HydrophobicContact CD2-CG1 4.32Å; L5-I7 HydrophobicContact CG-CG1 4.17Å; L5-I7 PolarHBondContact O-N 2.03Å; L5-I7 VanDerWaalsContact O-N 3.13Å; I7-F9 VanDerWaalsContact C-N 3.35Å; I7-F9 HydrophobicContact CG2-CD2 4.05Å; I7-F9 HydrophobicContact CG2-CE2 4.03Å; I7-F9 PolarHBondContact O-N 3.43Å | ||
| 8 | L | 31.3 | Very low | 36 | Very low | 137 Ų | 137 | 151.7 Ų | 151.7 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | trans | -63.2 | 97.1 | 170.2 | -127.2 | 81.8 | 0 | 0 | 0 | 107.2 | I6 V10 | I6-L8 VanDerWaalsContact C-N 3.31Å; I6-L8 HydrophobicContact CG2-CD1 4.03Å; I6-L8 PolarHBondContact O-N 2.97Å; L8-V10 HydrophobicContact CB-CG2 4.33Å; L8-V10 HydrophobicContact CD2-CG2 3.85Å; L8-V10 HydrophobicContact CG-CG2 4.33Å; L8-V10 PolarHBondContact O-N 2.6Å | ||
| 9 | F | 32.5 | Very low | 37.2 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 77% | 0.772 | 72% | 0.722 | S | S | * | * | trans | -67.1 | 76.4 | 163.2 | -88.1 | -96.3 | 0 | 0 | 0 | 108.1 | I7 L11 | I7-F9 VanDerWaalsContact C-N 3.35Å; I7-F9 HydrophobicContact CG2-CD2 4.05Å; I7-F9 HydrophobicContact CG2-CE2 4.03Å; I7-F9 PolarHBondContact O-N 3.43Å; F9-L11 PolarHBondContact O-N 3.41Å | ||
| 10 | V | 32.1 | Very low | 39.1 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 66% | 0.661 | 70% | 0.696 | S | S | * | * | trans | -74.8 | 83.2 | 160.6 | -176.4 | 0 | 0 | 0 | 0 | 105.3 | L8 I12 | L8-V10 HydrophobicContact CB-CG2 4.33Å; L8-V10 HydrophobicContact CD2-CG2 3.85Å; L8-V10 HydrophobicContact CG-CG2 4.33Å; L8-V10 PolarHBondContact O-N 2.6Å; V10-I12 PolarHBondContact O-N 3.45Å | ||
| 11 | L | 30.9 | Very low | 41.4 | Very low | 123 Ų | 123 | 134 Ų | 134 | 64% | 0.644 | 67% | 0.671 | S | S | * | * | trans | -55.3 | 104.6 | 166 | -91.6 | 149.1 | 0 | 0 | 0 | 107.2 | F9 R13 | F9-L11 PolarHBondContact O-N 3.41Å; L11-R13 PolarHBondContact O-N 3.37Å | ||
| 12 | I | 31.2 | Very low | 43.8 | Very low | 158 Ų | 158 | 124.6 Ų | 124.6 | 81% | 0.81 | 63% | 0.626 | S | S | * | * | trans | -52.7 | 93.3 | 161.4 | -60.4 | 161.4 | 0 | 0 | 0 | 106.2 | V10 | V10-I12 PolarHBondContact O-N 3.45Š| ||
| 13 | R | 33.7 | Very low | 46.3 | Very low | 210 Ų | 210 | 115.6 Ų | 115.6 | 79% | 0.792 | 59% | 0.588 | S | S | * | * | trans | -113.4 | 16.8 | 167 | -79.9 | -165.1 | 177.7 | -153.6 | 1.1 | 112 | L11 A15 | L11-R13 PolarHBondContact O-N 3.37Å; R13-A15 PolarHBondContact O-N 2.76Å | ||
| 14 | N | 29.8 | Very low | 48.7 | Very low | 138 Ų | 138 | 108 Ų | 108 | 74% | 0.738 | 55% | 0.547 | S | S | * | . | trans | -94.5 | 40.7 | 169.5 | -67.5 | 14.9 | 0 | 0 | 0 | 110.9 | E16 | N14-E16 PolarHBondContact O-N 3.06Š| ||
| 15 | A | 34 | Very low | 50.8 | Low | 80 Ų | 80 | 100.9 Ų | 100.9 | 66% | 0.661 | 52% | 0.515 | S | S | * | . | trans | -75.4 | 63.7 | 146.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | R13 Q17 | R13-A15 PolarHBondContact O-N 2.76Å; A15-Q17 PolarHBondContact O-N 2.89Å | ||
| 16 | E | 37.9 | Very low | 52.9 | Low | 143 Ų | 143 | 96.4 Ų | 96.4 | 67% | 0.668 | 49% | 0.488 | S | S | * | . | trans | -60 | 94.9 | 150 | -82 | 173.1 | 149 | 0 | 0 | 103.3 | N14 Q18 | N14-E16 PolarHBondContact O-N 3.06Å; E16-Q18 PolarHBondContact O-N 2.62Å | ||
| 17 | Q | 45.9 | Very low | 54.4 | Low | 133 Ų | 133 | 93.8 Ų | 93.8 | 62% | 0.621 | 49% | 0.486 | S | S | * | . | trans | -66.2 | 71.7 | 168.5 | -71 | -176.3 | -66.2 | 0 | 0 | 106.8 | A15 G19 D20 | A15-Q17 PolarHBondContact O-N 2.89Å; Q17-G19 PolarHBondContact O-N 3.36Å; Q17-D20 HydrophobicContact CB-CB 3.91Å; Q17-D20 PolarHBondContact NE2-OD2 3.03Å; Q17-D20 PolarHBondContact O-N 3.46Å; Q17-D20 PolarHBondContact OE1-OD2 2.82Å | ||
| 18 | Q | 47.6 | Very low | 56 | Low | 172 Ų | 172 | 90.3 Ų | 90.3 | 80% | 0.804 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 1.2 | -168.4 | -164.5 | 153.2 | 9.8 | 0 | 0 | 113.1 | E16 | E16-Q18 PolarHBondContact O-N 2.62Š|
| 19 | G | 59.5 | Low | 57.5 | Low | 16 Ų | 16 | 87.2 Ų | 87.2 | 17% | 0.165 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | -14.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q17 L21 K115 | Q17-G19 PolarHBondContact O-N 3.36Å; G19-L21 PolarHBondContact O-N 3.36Å; G19-L21 VanDerWaalsContact O-N 3.1Å; G19-K115 CarbonylContact C-O 3.54Å; G19-K115 WeakPolarHBondContact CA-O 3.22Å |
| 20 | D | 75.5 | Confident | 58.8 | Low | 36 Ų | 36 | 82 Ų | 82 | 19% | 0.193 | 45% | 0.451 | C | S | . | . | trans | -73.2 | 113.5 | -172.4 | -89.9 | 15 | 0 | 0 | 0 | 111.5 | Q17 G117 N118 | Q17-D20 HydrophobicContact CB-CB 3.91Å; Q17-D20 PolarHBondContact NE2-OD2 3.03Å; Q17-D20 PolarHBondContact O-N 3.46Å; Q17-D20 PolarHBondContact OE1-OD2 2.82Å; D20-G117 WeakPolarHBondContact OD1-CA 2.96Å; D20-N118 HydrophobicContact CB-CB 4.21Å; D20-N118 PolarHBondContact OD1-N 3.03Å; D20-N118 PolarHBondContact OD2-ND2 3Å | ||
| 21 | L | 87.1 | Confident | 60.3 | Low | 32 Ų | 32 | 80.8 Ų | 80.8 | 17% | 0.168 | 45% | 0.452 | C | S | . | . | trans | -95.7 | 127.5 | 170.4 | -55.8 | 178.5 | 0 | 0 | 0 | 108.4 | G19 V113 K115 N118 G119 | G19-L21 PolarHBondContact O-N 3.36Å; G19-L21 VanDerWaalsContact O-N 3.1Å; L21-V113 HydrophobicContact CD1-CB 4.49Å; L21-V113 HydrophobicContact CD1-CG1 3.65Å; L21-K115 HydrophobicContact CD1-CB 4.42Å; L21-N118 PolarHBondContact N-O 2.82Å; L21-N118 CarbonylContact O-C 3.26Å; L21-G119 CarbonylContact O-C 3.01Å; L21-G119 WeakPolarHBondContact O-CA 3.39Å | ||
| 22 | V | 88.3 | Confident | 61.9 | Low | 42 Ų | 42 | 77.2 Ų | 77.2 | 26% | 0.255 | 44% | 0.44 | S | S | . | . | trans | -126.6 | 158.6 | -176.1 | -55.8 | 0 | 0 | 0 | 0 | 111 | P37 T152 | V22-P37 HydrophobicContact CG1-CB 4.48Å; V22-P37 HydrophobicContact CG2-CB 4.36Å; V22-T152 HydrophobicContact CB-CG2 3.93Å; V22-T152 HydrophobicContact CG1-CG2 3.69Å | ||
| 23 | C | 90.7 | Very high | 63.5 | Low | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.007 | 41% | 0.405 | C | S | . | . | B | Isolated β-bridge | trans | -62.5 | 137.7 | 168.2 | -61.6 | 0 | 0 | 0 | 0 | 110.3 | T38 C150 I151 T152 | C23-T38 HydrophobicContact CB-CG2 4.48Å; C23-T38 VanDerWaalsContact O-CB 3.3Å; C23-T38 WeakPolarHBondContact O-CB 3.31Å; C23-C150 HydrophobicContact CB-CB 3.83Å; C23-C150 WeakPolarHBondContact CB-SG 3.25Å; C23-C150 WeakPolarHBondContact SG-CB 3.15Å; C23-C150 CovalentContact SG-SG 2.03Å; C23-C150 PolarHBondContact SG-SG 3.29Å; C23-I151 VanDerWaalsContact SG-CA 3.58Å; C23-I151 PolarHBondContact SG-N 3.42Å; C23-T152 PolarHBondContact N-OG1 2.94Å; C23-T152 PolarHBondContact SG-N 2.65Å |
| 24 | N | 85 | Confident | 64.9 | Low | 12 Ų | 12 | 63.8 Ų | 63.8 | 6% | 0.064 | 40% | 0.398 | C | S | . | . | trans | -138.1 | 108 | 171.8 | -169.9 | 13.9 | 0 | 0 | 0 | 109.7 | R26 S77 V78 E80 M81 | N24-R26 PolarHBondContact OD1-N 3Å; N24-R26 PolarHBondContact OD1-O 2.84Å; N24-S77 CarbonylContact O-C 3.53Å; N24-S77 WeakPolarHBondContact O-CA 2.95Å; N24-V78 PolarHBondContact O-N 2.85Å; N24-E80 PolarHBondContact ND2-OE2 3.04Å; N24-M81 HydrophobicContact CB-CG 4.22Å; N24-M81 HydrophobicContact CB-SD 4.3Å; N24-M81 PolarHBondContact N-SD 3.29Å; N24-M81 VanDerWaalsContact O-SD 3.36Å | ||
| 25 | F | 83.9 | Confident | 66.7 | Low | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 40% | 0.397 | C | S | . | . | trans | -108.3 | -9.3 | 177.4 | -67.7 | -52.9 | 0 | 0 | 0 | 114.1 | T38 G41 L43 L54 V69 S77 V78 C150 | F25-T38 HydrophobicContact CD2-CG2 4.4Å; F25-G41 VanDerWaalsContact CE2-C 3.47Å; F25-G41 VanDerWaalsContact CE2-CA 3.49Å; F25-G41 WeakPolarHBondContact CE2-O 3.39Å; F25-L43 HydrophobicContact CD1-CD1 3.43Å; F25-L43 VanDerWaalsContact CD1-CD1 3.43Å; F25-L43 HydrophobicContact CD1-CD2 4.36Å; F25-L43 HydrophobicContact CD1-CG 3.82Å; F25-L43 HydrophobicContact CE1-CD1 3.38Å; F25-L43 HydrophobicContact CE1-CG 3.82Å; F25-L43 HydrophobicContact CG-CD1 4.33Å; F25-L43 HydrophobicContact CG-CG 4.29Å; F25-L43 HydrophobicContact CZ-CD1 4.24Å; F25-L43 HydrophobicContact CZ-CG 4.27Å; F25-L54 HydrophobicContact CB-CD1 3.51Å; F25-L54 HydrophobicContact CB-CD2 3.96Å; F25-L54 HydrophobicContact CB-CG 4.41Å; F25-L54 HydrophobicContact CD2-CD1 4.01Å; F25-L54 HydrophobicContact CG-CD1 3.94Å; F25-V69 VanDerWaalsContact O-CG2 3.23Å; F25-V69 WeakPolarHBondContact O-CG2 3.39Å; F25-S77 VanDerWaalsContact CA-OG 3.29Å; F25-S77 WeakPolarHBondContact CA-OG 3.39Å; F25-S77 PolarHBondContact O-OG 3.47Å; F25-V78 HydrophobicContact CD1-CG2 3.33Å; F25-V78 HydrophobicContact CE1-CG2 3.42Å; F25-V78 VanDerWaalsContact CE1-CG2 3.42Å; F25-C150 HydrophobicContact CE1-CB 4.08Å; F25-C150 HydrophobicContact CE2-CB 3.41Å; F25-C150 VanDerWaalsContact CE2-CB 3.41Å; F25-C150 HydrophobicContact CZ-CB 3.11Å | ||
| 26 | R | 79.1 | Confident | 68.6 | Low | 55 Ų | 55 | 61.8 Ų | 61.8 | 21% | 0.208 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -101.1 | 144.3 | -176.5 | -64.3 | -168.4 | -163.6 | -113.1 | 2.5 | 111.1 | N24 Q28 L54 D56 E65 | N24-R26 PolarHBondContact OD1-N 3Å; N24-R26 PolarHBondContact OD1-O 2.84Å; R26-Q28 VanDerWaalsContact C-N 3.29Å; R26-Q28 HydrophobicContact CB-CG 4.28Å; R26-Q28 PolarHBondContact O-N 3.04Å; R26-L54 HydrophobicContact CG-CD2 3.87Å; R26-D56 IonicContact CZ-OD1 2.9Å; R26-D56 IonicContact CZ-OD2 2.73Å; R26-D56 IonicContact NE-OD1 3.86Å; R26-D56 IonicContact NE-OD2 3.82Å; R26-D56 PolarHBondContact NE-OD2 2.89Å; R26-D56 VanDerWaalsContact NH2-CG 3.31Å; R26-D56 IonicContact NH2-OD1 3.52Å; R26-D56 PolarHBondContact NH2-OD1 3.09Å; R26-D56 IonicContact NH2-OD2 2.96Å; R26-D56 PolarHBondContact NH2-OD2 3.4Å; R26-E65 IonicContact CZ-OE1 2.84Å; R26-E65 IonicContact CZ-OE2 3.83Å; R26-E65 IonicContact NH1-OE1 3.17Å; R26-E65 PolarHBondContact NH1-OE1 3.35Å; R26-E65 IonicContact NH1-OE2 2.92Å; R26-E65 PolarHBondContact NH1-OE2 2.78Å; R26-E65 IonicContact NH2-OE1 3.73Å; R26-E65 PolarHBondContact NH2-OE1 2.81Å; R26-E65 IonicContact NH2-OE2 2.96Å |
| 27 | A | 71 | Confident | 70.4 | Confident | 81 Ų | 81 | 58 Ų | 58 | 67% | 0.669 | 38% | 0.376 | S | S | * | . | trans | -70.6 | 85.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | I76 | A27-I76 HydrophobicContact CB-CD1 3.66Š| ||
| 28 | Q | 67.9 | Low | 72.4 | Confident | 42 Ų | 42 | 51.7 Ų | 51.7 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | trans | -143.1 | 149.9 | 179.6 | 64.1 | -175.2 | -1.2 | 0 | 0 | 110.2 | R26 A33 R58 | R26-Q28 VanDerWaalsContact C-N 3.29Å; R26-Q28 HydrophobicContact CB-CG 4.28Å; R26-Q28 PolarHBondContact O-N 3.04Å; Q28-A33 HydrophobicContact CG-CB 4.02Å; Q28-R58 VanDerWaalsContact NE2-NH1 3.2Å | ||
| 29 | A | 63.3 | Low | 74.5 | Confident | 73 Ų | 73 | 43.9 Ų | 43.9 | 60% | 0.603 | 31% | 0.311 | S | S | * | . | trans | -62 | 145.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A31 A32 A33 | A29-A31 VanDerWaalsContact C-N 3.25Å; A29-A31 PolarHBondContact O-N 3.37Å; A29-A31 VanDerWaalsContact O-N 3.14Å; A29-A32 WeakPolarHBondContact O-CA 2.97Å; A29-A32 WeakPolarHBondContact O-CB 3.31Å; A29-A32 PolarHBondContact O-N 3.13Å; A29-A33 PolarHBondContact O-N 3.18Å | ||
| 30 | A | 61.3 | Low | 76.2 | Confident | 65 Ų | 65 | 43.8 Ų | 43.8 | 54% | 0.537 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -51.5 | -40.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A32 A33 A34 | A30-A32 VanDerWaalsContact C-N 3.33Å; A30-A32 PolarHBondContact O-N 3.32Å; A30-A33 WeakPolarHBondContact O-CB 3.32Å; A30-A33 PolarHBondContact O-N 3.43Å; A30-A34 WeakPolarHBondContact O-CB 3.08Å; A30-A34 PolarHBondContact O-N 3.19Å |
| 31 | A | 62.2 | Low | 77.1 | Confident | 84 Ų | 84 | 42.1 Ų | 42.1 | 69% | 0.694 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.3 | -36.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A29 A35 | A29-A31 VanDerWaalsContact C-N 3.25Å; A29-A31 PolarHBondContact O-N 3.37Å; A29-A31 VanDerWaalsContact O-N 3.14Å; A31-A35 PolarHBondContact O-N 2.6Å |
| 32 | A | 64.8 | Low | 77.6 | Confident | 48 Ų | 48 | 40.6 Ų | 40.6 | 40% | 0.397 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -74 | -36.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A29 A30 A35 N36 | A29-A32 WeakPolarHBondContact O-CA 2.97Å; A29-A32 WeakPolarHBondContact O-CB 3.31Å; A29-A32 PolarHBondContact O-N 3.13Å; A30-A32 VanDerWaalsContact C-N 3.33Å; A30-A32 PolarHBondContact O-N 3.32Å; A32-A35 PolarHBondContact O-N 3.24Å; A32-N36 PolarHBondContact O-N 2.87Å |
| 33 | A | 64.5 | Low | 78 | Confident | 9 Ų | 9 | 38.6 Ų | 38.6 | 7% | 0.074 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.9 | -44 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q28 A29 A30 A35 N36 P37 | Q28-A33 HydrophobicContact CG-CB 4.02Å; A29-A33 PolarHBondContact O-N 3.18Å; A30-A33 WeakPolarHBondContact O-CB 3.32Å; A30-A33 PolarHBondContact O-N 3.43Å; A33-A35 VanDerWaalsContact C-N 3.3Å; A33-A35 PolarHBondContact O-N 3.09Å; A33-N36 CarbonylContact O-C 3.43Å; A33-N36 PolarHBondContact O-N 3.06Å; A33-P37 WeakPolarHBondContact O-CA 3.03Å |
| 34 | A | 63.7 | Low | 78.3 | Confident | 77 Ų | 77 | 38.5 Ų | 38.5 | 64% | 0.636 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.3 | -33.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A30 N36 | A30-A34 WeakPolarHBondContact O-CB 3.08Å; A30-A34 PolarHBondContact O-N 3.19Å; A34-N36 VanDerWaalsContact C-N 3.33Å |
| 35 | A | 68.1 | Low | 78.8 | Confident | 87 Ų | 87 | 38 Ų | 38 | 72% | 0.719 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -73.7 | -22.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A31 A32 A33 | A31-A35 PolarHBondContact O-N 2.6Å; A32-A35 PolarHBondContact O-N 3.24Å; A33-A35 VanDerWaalsContact C-N 3.3Å; A33-A35 PolarHBondContact O-N 3.09Å |
| 36 | N | 73.8 | Confident | 79.4 | Confident | 90 Ų | 90 | 39.4 Ų | 39.4 | 48% | 0.481 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -147.6 | 71.6 | 178.8 | -170.7 | 17.4 | 0 | 0 | 0 | 110.1 | A32 A33 A34 R58 | A32-N36 PolarHBondContact O-N 2.87Å; A33-N36 CarbonylContact O-C 3.43Å; A33-N36 PolarHBondContact O-N 3.06Å; A34-N36 VanDerWaalsContact C-N 3.33Å; N36-R58 WeakPolarHBondContact ND2-CD 3.34Å |
| 37 | P | 75.7 | Confident | 80.1 | Confident | 63 Ų | 63 | 38.1 Ų | 38.1 | 41% | 0.409 | 28% | 0.278 | S | S | . | . | trans | -66 | 146 | -171.6 | 26.4 | -33.8 | 0 | 0 | 0 | 110.9 | V22 A33 D39 | V22-P37 HydrophobicContact CG1-CB 4.48Å; V22-P37 HydrophobicContact CG2-CB 4.36Å; A33-P37 WeakPolarHBondContact O-CA 3.03Å; P37-D39 PolarHBondContact O-N 2.92Å | ||
| 38 | T | 86.6 | Confident | 81.2 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -79.4 | 113.1 | 174 | -52 | 0 | 0 | 0 | 0 | 108 | C23 F25 W40 D56 R58 T152 | C23-T38 HydrophobicContact CB-CG2 4.48Å; C23-T38 VanDerWaalsContact O-CB 3.3Å; C23-T38 WeakPolarHBondContact O-CB 3.31Å; F25-T38 HydrophobicContact CD2-CG2 4.4Å; T38-W40 WeakPolarHBondContact CG2-O 3.43Å; T38-D56 HydrophobicContact CG2-CB 3.76Å; T38-R58 PolarHBondContact OG1-NH2 3.28Å; T38-T152 PolarHBondContact O-OG1 3.05Å |
| 39 | D | 92 | Very high | 82.4 | Confident | 8 Ų | 8 | 38.5 Ų | 38.5 | 4% | 0.043 | 28% | 0.28 | C | S | . | . | trans | -73.8 | -36.1 | -178.8 | -175.8 | 50.7 | 0 | 0 | 0 | 111.6 | P37 S57 T152 S212 A213 D214 | P37-D39 PolarHBondContact O-N 2.92Å; D39-S57 PolarHBondContact N-OG 3.08Å; D39-T152 WeakPolarHBondContact O-CB 3.41Å; D39-T152 PolarHBondContact O-N 3.47Å; D39-S212 VanDerWaalsContact CG-CB 3.47Å; D39-S212 VanDerWaalsContact CG-OG 3.23Å; D39-S212 WeakPolarHBondContact OD1-CB 3.46Å; D39-S212 PolarHBondContact OD1-OG 2.93Å; D39-S212 WeakPolarHBondContact OD2-CB 3.34Å; D39-S212 PolarHBondContact OD2-OG 3.25Å; D39-A213 PolarHBondContact OD1-N 2.82Å; D39-A213 VanDerWaalsContact OD1-N 3.07Å; D39-D214 HydrophobicContact CB-CB 3.88Å; D39-D214 WeakPolarHBondContact OD1-CB 3.39Å; D39-D214 PolarHBondContact OD1-N 2.85Å | ||
| 40 | W | 95.6 | Very high | 83.8 | Confident | 14 Ų | 14 | 36.9 Ų | 36.9 | 5% | 0.053 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 161.6 | 172.5 | 61.3 | -88.1 | 0 | 0 | 0 | 110 | T38 I42 H55 D56 S57 C150 L219 F221 F326 N328 V331 | T38-W40 WeakPolarHBondContact CG2-O 3.43Å; W40-I42 HydrophobicContact CZ3-CG1 4.46Å; W40-H55 AromaticContact CH2-CD2 3.9Å; W40-D56 WeakPolarHBondContact O-CB 3.48Å; W40-S57 PolarHBondContact O-N 3.48Å; W40-C150 CarbonylContact C-O 3.55Å; W40-C150 WeakPolarHBondContact CA-O 3.35Å; W40-C150 WeakPolarHBondContact CB-O 3.39Å; W40-L219 HydrophobicContact CD2-CD2 3.68Å; W40-L219 HydrophobicContact CE3-CD2 4.46Å; W40-L219 HydrophobicContact CG-CD2 3.71Å; W40-L219 HydrophobicContact CZ2-CD2 4.23Å; W40-F221 HydrophobicContact CB-CE2 4.47Å; W40-F221 HydrophobicContact CB-CZ 3.84Å; W40-F221 HydrophobicContact CG-CZ 4.11Å; W40-F326 HydrophobicContact CE3-CE2 4.34Å; W40-F326 HydrophobicContact CE3-CZ 4.14Å; W40-F326 HydrophobicContact CH2-CE2 4.4Å; W40-F326 HydrophobicContact CZ3-CE2 4.12Å; W40-F326 HydrophobicContact CZ3-CZ 4.06Å; W40-N328 WeakPolarHBondContact CH2-ND2 3.11Å; W40-N328 VanDerWaalsContact CZ2-ND2 3.25Å; W40-N328 WeakPolarHBondContact CZ2-ND2 3.41Å; W40-V331 HydrophobicContact CH2-CG2 3.83Å; W40-V331 HydrophobicContact CZ3-CG2 3.91Å |
| 41 | G | 95.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 163.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F25 V149 C150 | F25-G41 VanDerWaalsContact CE2-C 3.47Å; F25-G41 VanDerWaalsContact CE2-CA 3.49Å; F25-G41 WeakPolarHBondContact CE2-O 3.39Å; G41-V149 CarbonylContact O-C 3.45Å; G41-V149 WeakPolarHBondContact O-CA 3.27Å; G41-C150 PolarHBondContact N-O 2.74Å; G41-C150 PolarHBondContact O-N 3.12Å |
| 42 | I | 97.2 | Very high | 87 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 131.8 | 176.8 | -59 | 175.8 | 0 | 0 | 0 | 108.6 | W40 H55 W64 L147 L148 V149 F305 F326 V331 F335 | W40-I42 HydrophobicContact CZ3-CG1 4.46Å; I42-H55 PolarHBondContact N-O 2.77Å; I42-H55 PolarHBondContact O-N 2.74Å; I42-W64 HydrophobicContact CB-CZ3 4.46Å; I42-W64 HydrophobicContact CG2-CH2 3.85Å; I42-W64 HydrophobicContact CG2-CZ3 4.09Å; I42-L147 HydrophobicContact CG2-CD1 3.5Å; I42-L147 VanDerWaalsContact CG2-CD1 3.5Å; I42-L148 CarbonylContact C-O 3.59Å; I42-L148 VanDerWaalsContact CA-O 3.3Å; I42-L148 WeakPolarHBondContact CA-O 3.14Å; I42-V149 HydrophobicContact CG1-CG2 4.17Å; I42-F305 HydrophobicContact CD1-CD1 3.9Å; I42-F305 HydrophobicContact CD1-CE1 3.58Å; I42-F305 HydrophobicContact CD1-CZ 4.15Å; I42-F305 HydrophobicContact CG1-CE1 4.48Å; I42-F326 HydrophobicContact CD1-CE1 4.13Å; I42-F326 HydrophobicContact CD1-CZ 3.58Å; I42-F326 HydrophobicContact CG1-CZ 4.16Å; I42-V331 HydrophobicContact CD1-CB 4.33Å; I42-V331 HydrophobicContact CD1-CG1 3.39Å; I42-V331 HydrophobicContact CD1-CG2 3.92Å; I42-F335 HydrophobicContact CD1-CE2 4.41Å |
| 43 | L | 96.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.5 | 166.1 | -68.7 | 175.5 | 0 | 0 | 0 | 110.4 | F25 A52 Y53 L54 V69 L71 V78 L147 L148 | F25-L43 HydrophobicContact CD1-CD1 3.43Å; F25-L43 VanDerWaalsContact CD1-CD1 3.43Å; F25-L43 HydrophobicContact CD1-CD2 4.36Å; F25-L43 HydrophobicContact CD1-CG 3.82Å; F25-L43 HydrophobicContact CE1-CD1 3.38Å; F25-L43 HydrophobicContact CE1-CG 3.82Å; F25-L43 HydrophobicContact CG-CD1 4.33Å; F25-L43 HydrophobicContact CG-CG 4.29Å; F25-L43 HydrophobicContact CZ-CD1 4.24Å; F25-L43 HydrophobicContact CZ-CG 4.27Å; L43-A52 HydrophobicContact CB-CB 4.04Å; L43-A52 HydrophobicContact CD2-CB 4.02Å; L43-A52 HydrophobicContact CG-CB 4.45Å; L43-Y53 CarbonylContact C-O 3.08Å; L43-Y53 VanDerWaalsContact CA-O 3.24Å; L43-Y53 WeakPolarHBondContact CA-O 3.24Å; L43-L54 HydrophobicContact CD2-CB 3.8Å; L43-L54 HydrophobicContact CD2-CD1 3.62Å; L43-L54 HydrophobicContact CD2-CG 4.27Å; L43-L54 HydrophobicContact CG-CD1 4.36Å; L43-V69 HydrophobicContact CD2-CB 4.1Å; L43-V69 HydrophobicContact CD2-CG2 3.9Å; L43-L71 HydrophobicContact CD1-CD2 3.9Å; L43-V78 HydrophobicContact CD1-CG2 3.5Å; L43-L147 CarbonylContact O-C 3.49Å; L43-L147 WeakPolarHBondContact O-CA 3.17Å; L43-L148 HydrophobicContact CB-CB 4.16Å; L43-L148 HydrophobicContact CB-CD1 3.86Å; L43-L148 PolarHBondContact N-O 2.65Å; L43-L148 PolarHBondContact O-N 2.86Å |
| 44 | Y | 97.1 | Very high | 90 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 97.9 | 166.7 | -145 | -52.5 | 0 | 0 | 0 | 108.9 | K46 A52 Y53 W64 A145 A146 L147 I277 L279 I287 D292 S294 W296 F335 M338 | Y44-K46 PolarHBondContact O-N 3.05Å; Y44-A52 WeakPolarHBondContact O-CA 3.4Å; Y44-Y53 PolarHBondContact N-O 3.18Å; Y44-Y53 PolarHBondContact O-N 2.91Å; Y44-W64 HydrophobicContact CD2-CH2 4.18Å; Y44-W64 AromaticContact CD2-CZ2 3.92Å; Y44-W64 HydrophobicContact CD2-CZ2 3.92Å; Y44-W64 HydrophobicContact CG-CZ2 4.46Å; Y44-A145 HydrophobicContact CE1-CB 4.2Å; Y44-A146 CarbonylContact C-O 3.56Å; Y44-A146 WeakPolarHBondContact CA-O 3.44Å; Y44-L147 HydrophobicContact CD2-CD1 3.67Å; Y44-L147 HydrophobicContact CE2-CD1 4.14Å; Y44-L147 HydrophobicContact CG-CD1 4.15Å; Y44-I277 HydrophobicContact CE2-CD1 4.44Å; Y44-I277 WeakPolarHBondContact OH-CD1 3.4Å; Y44-L279 HydrophobicContact CD1-CD2 3.75Å; Y44-L279 HydrophobicContact CD2-CD2 3.98Å; Y44-L279 HydrophobicContact CE1-CD2 4.39Å; Y44-L279 HydrophobicContact CE2-CD1 4.48Å; Y44-L279 HydrophobicContact CG-CD2 3.52Å; Y44-L279 HydrophobicContact CG-CG 4.49Å; Y44-I287 HydrophobicContact CD1-CD1 4.09Å; Y44-I287 HydrophobicContact CE1-CD1 3.81Å; Y44-D292 PolarHBondContact OH-OD2 2.88Å; Y44-S294 PolarHBondContact OH-OG 2.93Å; Y44-W296 PolarHBondContact OH-NE1 3.35Å; Y44-F335 HydrophobicContact CD2-CE1 4.18Å; Y44-F335 HydrophobicContact CD2-CZ 4.12Å; Y44-F335 AromaticContact CE2-CE1 3.92Å; Y44-F335 HydrophobicContact CE2-CE1 3.92Å; Y44-F335 HydrophobicContact CE2-CZ 4.33Å; Y44-M338 HydrophobicContact CE2-CE 3.97Å |
| 45 | K | 95.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 132.7 | 177 | -161.8 | -172.6 | 79.3 | 63.1 | 0 | 109.7 | S49 A52 L71 P140 S141 S142 M144 A145 A146 L148 | K45-S49 PolarHBondContact NZ-O 3.38Å; K45-A52 HydrophobicContact CB-CB 4.27Å; K45-A52 HydrophobicContact CG-CB 4.5Å; K45-L71 HydrophobicContact CB-CD1 4.43Å; K45-L71 HydrophobicContact CD-CD1 4.04Å; K45-L71 HydrophobicContact CG-CD1 3.96Å; K45-P140 HydrophobicContact CD-CB 3.67Å; K45-P140 HydrophobicContact CD-CG 4.42Å; K45-S141 WeakPolarHBondContact CE-O 3.3Å; K45-S141 PolarHBondContact NZ-O 3.37Å; K45-S142 PolarHBondContact NZ-O 2.84Å; K45-M144 WeakPolarHBondContact CE-O 3.01Å; K45-M144 PolarHBondContact NZ-O 3.4Å; K45-A145 WeakPolarHBondContact O-CA 3.44Å; K45-A145 VanDerWaalsContact O-CB 3.23Å; K45-A145 WeakPolarHBondContact O-CB 3.28Å; K45-A146 HydrophobicContact CB-CB 4.35Å; K45-A146 PolarHBondContact N-O 2.68Å; K45-A146 PolarHBondContact O-N 2.7Å; K45-L148 HydrophobicContact CB-CD1 4.41Å |
| 46 | K | 95.5 | Very high | 92.8 | Very high | 30 Ų | 30 | 23.3 Ų | 23.3 | 13% | 0.13 | 14% | 0.136 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 152 | 176 | -67.5 | -176.2 | -65.1 | -174.4 | 0 | 111 | Y44 E51 Y53 T285 | Y44-K46 PolarHBondContact O-N 3.05Å; K46-E51 WeakPolarHBondContact CB-O 3.15Å; K46-E51 WeakPolarHBondContact CE-OE2 3.45Å; K46-E51 PolarHBondContact N-O 2.68Å; K46-E51 IonicContact NZ-OE2 3.5Å; K46-E51 PolarHBondContact NZ-OE2 3.08Å; K46-Y53 HydrophobicContact CD-CD2 4.2Å; K46-Y53 HydrophobicContact CD-CE2 3.6Å; K46-Y53 HydrophobicContact CG-CD2 3.86Å; K46-Y53 HydrophobicContact CG-CE2 3.62Å; K46-T285 HydrophobicContact CG-CG2 4.48Å |
| 47 | P | 93.8 | Very high | 93.7 | Very high | 27 Ų | 27 | 21 Ų | 21 | 18% | 0.175 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 155.7 | 168.9 | 32.9 | -33.4 | 0 | 0 | 0 | 110.2 | S49 A145 I287 | P47-S49 PolarHBondContact O-N 3.23Å; P47-A145 HydrophobicContact CB-CB 4.2Å; P47-A145 HydrophobicContact CG-CB 4.46Å; P47-I287 HydrophobicContact CG-CG1 4.22Å; P47-I287 HydrophobicContact CG-CG2 4.43Å |
| 48 | S | 94.3 | Very high | 94.3 | Very high | 106 Ų | 106 | 20.6 Ų | 20.6 | 74% | 0.741 | 12% | 0.117 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 27.5 | -177.5 | -53 | 0 | 0 | 0 | 0 | 114.8 | S142 D143 | S48-S142 CarbonylContact C-O 3.6Å; S48-S142 WeakPolarHBondContact CA-O 3.38Å; S48-S142 PolarHBondContact N-O 2.91Å; S48-D143 PolarHBondContact N-O 3.34Å |
| 49 | S | 94.2 | Very high | 94.5 | Very high | 26 Ų | 26 | 21.3 Ų | 21.3 | 18% | 0.182 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -155.1 | 155.9 | -173.2 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | K45 P47 E51 S142 | K45-S49 PolarHBondContact NZ-O 3.38Å; P47-S49 PolarHBondContact O-N 3.23Å; S49-E51 WeakPolarHBondContact OG-CB 3.15Å; S49-E51 PolarHBondContact OG-N 2.85Å; S49-S142 PolarHBondContact N-O 2.88Å; S49-S142 WeakPolarHBondContact O-CA 3.49Å |
| 50 | V | 92.7 | Very high | 94.3 | Very high | 38 Ų | 38 | 25.7 Ų | 25.7 | 23% | 0.23 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -99.3 | 5 | 171.7 | -66.3 | 0 | 0 | 0 | 0 | 112.2 | L71 | V50-L71 WeakPolarHBondContact O-CB 3.35Å; V50-L71 WeakPolarHBondContact O-CG 3.39Å; V50-L71 PolarHBondContact O-N 3.37Å |
| 51 | E | 94.5 | Very high | 94.2 | Very high | 72 Ų | 72 | 28.4 Ų | 28.4 | 34% | 0.336 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 147.1 | 177 | -66.6 | 176.9 | 125.6 | 0 | 0 | 111.2 | K46 S49 P68 V69 | K46-E51 WeakPolarHBondContact CB-O 3.15Å; K46-E51 WeakPolarHBondContact CE-OE2 3.45Å; K46-E51 PolarHBondContact N-O 2.68Å; K46-E51 IonicContact NZ-OE2 3.5Å; K46-E51 PolarHBondContact NZ-OE2 3.08Å; S49-E51 WeakPolarHBondContact OG-CB 3.15Å; S49-E51 PolarHBondContact OG-N 2.85Å; E51-P68 HydrophobicContact CB-CB 4.11Å; E51-P68 HydrophobicContact CB-CG 4.39Å; E51-V69 CarbonylContact C-O 3.46Å; E51-V69 VanDerWaalsContact CA-O 3.24Å; E51-V69 WeakPolarHBondContact CA-O 3.18Å |
| 52 | A | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 140.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L43 Y44 K45 P68 V69 L71 | L43-A52 HydrophobicContact CB-CB 4.04Å; L43-A52 HydrophobicContact CD2-CB 4.02Å; L43-A52 HydrophobicContact CG-CB 4.45Å; Y44-A52 WeakPolarHBondContact O-CA 3.4Å; K45-A52 HydrophobicContact CB-CB 4.27Å; K45-A52 HydrophobicContact CG-CB 4.5Å; A52-P68 CarbonylContact O-C 3.49Å; A52-P68 VanDerWaalsContact O-CA 3.31Å; A52-P68 WeakPolarHBondContact O-CA 3.33Å; A52-P68 WeakPolarHBondContact O-CB 3.46Å; A52-V69 PolarHBondContact N-O 3.21Å; A52-V69 PolarHBondContact O-N 2.85Å; A52-L71 HydrophobicContact CB-CD1 3.98Å; A52-L71 HydrophobicContact CB-CG 4.32Å |
| 53 | Y | 96.1 | Very high | 94 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 136 | 166.8 | -71.3 | -74.8 | 0 | 0 | 0 | 109.8 | L43 Y44 K46 W64 L279 S281 T285 | L43-Y53 CarbonylContact C-O 3.08Å; L43-Y53 VanDerWaalsContact CA-O 3.24Å; L43-Y53 WeakPolarHBondContact CA-O 3.24Å; Y44-Y53 PolarHBondContact N-O 3.18Å; Y44-Y53 PolarHBondContact O-N 2.91Å; K46-Y53 HydrophobicContact CD-CD2 4.2Å; K46-Y53 HydrophobicContact CD-CE2 3.6Å; K46-Y53 HydrophobicContact CG-CD2 3.86Å; K46-Y53 HydrophobicContact CG-CE2 3.62Å; Y53-W64 HydrophobicContact CD1-CB 3.81Å; Y53-W64 HydrophobicContact CD1-CG 4.23Å; Y53-W64 HydrophobicContact CG-CB 4.19Å; Y53-W64 HydrophobicContact CG-CD2 4.47Å; Y53-W64 HydrophobicContact CG-CG 4.16Å; Y53-L279 HydrophobicContact CD2-CB 4.15Å; Y53-L279 HydrophobicContact CD2-CD2 3.48Å; Y53-L279 VanDerWaalsContact CD2-CD2 3.48Å; Y53-L279 HydrophobicContact CD2-CG 4.48Å; Y53-L279 HydrophobicContact CE2-CB 3.98Å; Y53-L279 HydrophobicContact CE2-CD2 3.98Å; Y53-L279 HydrophobicContact CG-CD2 4.3Å; Y53-S281 WeakPolarHBondContact CE1-OG 3.43Å; Y53-T285 PolarHBondContact OH-OG1 3.07Å |
| 54 | L | 95.4 | Very high | 94 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 142 | -178.3 | 174.3 | 62.1 | 0 | 0 | 0 | 111.4 | F25 R26 L43 D56 E65 V69 | F25-L54 HydrophobicContact CB-CD1 3.51Å; F25-L54 HydrophobicContact CB-CD2 3.96Å; F25-L54 HydrophobicContact CB-CG 4.41Å; F25-L54 HydrophobicContact CD2-CD1 4.01Å; F25-L54 HydrophobicContact CG-CD1 3.94Å; R26-L54 HydrophobicContact CG-CD2 3.87Å; L43-L54 HydrophobicContact CD2-CB 3.8Å; L43-L54 HydrophobicContact CD2-CD1 3.62Å; L43-L54 HydrophobicContact CD2-CG 4.27Å; L43-L54 HydrophobicContact CG-CD1 4.36Å; L54-D56 HydrophobicContact CD1-CB 4.06Å; L54-E65 WeakPolarHBondContact O-CG 3.15Å; L54-E65 PolarHBondContact O-N 2.83Å; L54-V69 HydrophobicContact CB-CG2 3.82Å; L54-V69 HydrophobicContact CD2-CG2 3.82Å; L54-V69 HydrophobicContact CG-CG2 4.34Å |
| 55 | H | 95.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 125.1 | 159.1 | -174.2 | 96.3 | 0 | 0 | 0 | 108.1 | W40 I42 S61 A63 W64 I334 | W40-H55 AromaticContact CH2-CD2 3.9Å; I42-H55 PolarHBondContact N-O 2.77Å; I42-H55 PolarHBondContact O-N 2.74Å; H55-S61 PolarHBondContact CE1-O 3.15Å; H55-A63 PolarHBondContact ND1-O 2.87Å; H55-W64 HydrophobicContact CB-CE3 3.93Å; H55-W64 HydrophobicContact CB-CZ3 3.93Å; H55-I334 HydrophobicContact CB-CD1 4.39Å |
| 56 | D | 94.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | -177 | -174.8 | 78.4 | 7.3 | 0 | 0 | 0 | 113.3 | R26 T38 W40 L54 R58 S59 | R26-D56 IonicContact CZ-OD1 2.9Å; R26-D56 IonicContact CZ-OD2 2.73Å; R26-D56 IonicContact NE-OD1 3.86Å; R26-D56 IonicContact NE-OD2 3.82Å; R26-D56 PolarHBondContact NE-OD2 2.89Å; R26-D56 VanDerWaalsContact NH2-CG 3.31Å; R26-D56 IonicContact NH2-OD1 3.52Å; R26-D56 PolarHBondContact NH2-OD1 3.09Å; R26-D56 IonicContact NH2-OD2 2.96Å; R26-D56 PolarHBondContact NH2-OD2 3.4Å; T38-D56 HydrophobicContact CG2-CB 3.76Å; W40-D56 WeakPolarHBondContact O-CB 3.48Å; L54-D56 HydrophobicContact CD1-CB 4.06Å; D56-R58 PolarHBondContact O-N 3.36Å; D56-R58 WeakPolarHBondContact OD1-CA 3.3Å; D56-R58 VanDerWaalsContact OD1-CB 3.3Å; D56-R58 WeakPolarHBondContact OD1-CB 3.24Å; D56-R58 PolarHBondContact OD1-N 2.84Å; D56-R58 IonicContact OD2-CZ 2.69Å; D56-R58 IonicContact OD2-NE 3.3Å; D56-R58 PolarHBondContact OD2-NE 3.16Å; D56-R58 IonicContact OD2-NH2 3.23Å; D56-R58 PolarHBondContact OD2-NH2 3.46Å; D56-S59 PolarHBondContact N-OG 2.88Å; D56-S59 WeakPolarHBondContact O-CB 3.2Å; D56-S59 PolarHBondContact O-N 3.15Å; D56-S59 PolarHBondContact OD1-N 3.32Å; D56-S59 PolarHBondContact OD1-OG 3.34Å |
| 57 | S | 92.6 | Very high | 93.2 | Very high | 42 Ų | 42 | 43.9 Ų | 43.9 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -14.6 | 179 | 65.4 | 0 | 0 | 0 | 0 | 114.9 | D39 W40 | D39-S57 PolarHBondContact N-OG 3.08Å; W40-S57 PolarHBondContact O-N 3.48Å |
| 58 | R | 89.5 | Confident | 93.1 | Very high | 54 Ų | 54 | 44.7 Ų | 44.7 | 20% | 0.204 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -10.1 | -179 | -55.1 | 176.6 | -74.7 | 176.1 | -14 | 112.6 | Q28 N36 T38 D56 A60 | Q28-R58 VanDerWaalsContact NE2-NH1 3.2Å; N36-R58 WeakPolarHBondContact ND2-CD 3.34Å; T38-R58 PolarHBondContact OG1-NH2 3.28Å; D56-R58 PolarHBondContact O-N 3.36Å; D56-R58 WeakPolarHBondContact OD1-CA 3.3Å; D56-R58 VanDerWaalsContact OD1-CB 3.3Å; D56-R58 WeakPolarHBondContact OD1-CB 3.24Å; D56-R58 PolarHBondContact OD1-N 2.84Å; D56-R58 IonicContact OD2-CZ 2.69Å; D56-R58 IonicContact OD2-NE 3.3Å; D56-R58 PolarHBondContact OD2-NE 3.16Å; D56-R58 IonicContact OD2-NH2 3.23Å; D56-R58 PolarHBondContact OD2-NH2 3.46Å; R58-A60 PolarHBondContact O-N 3.25Å |
| 59 | S | 91.5 | Very high | 93 | Very high | 17 Ų | 17 | 40.3 Ų | 40.3 | 12% | 0.119 | 25% | 0.247 | C | C | . | . | trans | -68.3 | 126.4 | 177.6 | -57.9 | 0 | 0 | 0 | 0 | 111 | D56 E65 | D56-S59 PolarHBondContact N-OG 2.88Å; D56-S59 WeakPolarHBondContact O-CB 3.2Å; D56-S59 PolarHBondContact O-N 3.15Å; D56-S59 PolarHBondContact OD1-N 3.32Å; D56-S59 PolarHBondContact OD1-OG 3.34Å; S59-E65 PolarHBondContact OG-OE1 2.75Å | ||
| 60 | A | 87.1 | Confident | 93 | Very high | 99 Ų | 99 | 41.5 Ų | 41.5 | 82% | 0.818 | 25% | 0.252 | S | S | * | . | trans | -89.9 | -19.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R58 | R58-A60 PolarHBondContact O-N 3.25Š| ||
| 61 | S | 92.6 | Very high | 93 | Very high | 71 Ų | 71 | 39.8 Ų | 39.8 | 50% | 0.497 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -123.8 | 157.1 | -172.5 | 58.8 | 0 | 0 | 0 | 0 | 112.3 | H55 A63 | H55-S61 PolarHBondContact CE1-O 3.15Å; S61-A63 PolarHBondContact O-N 3.21Å |
| 62 | A | 94.3 | Very high | 92.9 | Very high | 39 Ų | 39 | 38.8 Ų | 38.8 | 32% | 0.322 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -73.9 | 58.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N330 D333 I334 | A62-N330 HydrophobicContact CB-CB 4.16Å; A62-D333 HydrophobicContact CB-CB 3.81Å; A62-I334 VanDerWaalsContact C-CG1 3.47Å |
| 63 | A | 95 | Very high | 92.8 | Very high | 35 Ų | 35 | 43.4 Ų | 43.4 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -143.4 | 156.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | H55 S61 | H55-A63 PolarHBondContact ND1-O 2.87Å; S61-A63 PolarHBondContact O-N 3.21Å |
| 64 | W | 95.5 | Very high | 92.4 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 2% | 0.023 | 28% | 0.277 | C | S | . | . | trans | -67.2 | 145 | 161 | -63.2 | 111.4 | 0 | 0 | 0 | 109.4 | I42 Y44 Y53 H55 I334 F335 | I42-W64 HydrophobicContact CB-CZ3 4.46Å; I42-W64 HydrophobicContact CG2-CH2 3.85Å; I42-W64 HydrophobicContact CG2-CZ3 4.09Å; Y44-W64 HydrophobicContact CD2-CH2 4.18Å; Y44-W64 AromaticContact CD2-CZ2 3.92Å; Y44-W64 HydrophobicContact CD2-CZ2 3.92Å; Y44-W64 HydrophobicContact CG-CZ2 4.46Å; Y53-W64 HydrophobicContact CD1-CB 3.81Å; Y53-W64 HydrophobicContact CD1-CG 4.23Å; Y53-W64 HydrophobicContact CG-CB 4.19Å; Y53-W64 HydrophobicContact CG-CD2 4.47Å; Y53-W64 HydrophobicContact CG-CG 4.16Å; H55-W64 HydrophobicContact CB-CE3 3.93Å; H55-W64 HydrophobicContact CB-CZ3 3.93Å; W64-I334 HydrophobicContact CD2-CG2 4.24Å; W64-I334 VanDerWaalsContact CE2-CG2 3.48Å; W64-I334 HydrophobicContact CZ2-CG2 3.72Å; W64-I334 VanDerWaalsContact NE1-CG2 3.29Å; W64-F335 AromaticContact CH2-CE2 3.89Å; W64-F335 HydrophobicContact CH2-CE2 3.89Å; W64-F335 AromaticContact CH2-CZ 3.94Å; W64-F335 HydrophobicContact CH2-CZ 3.94Å; W64-F335 AromaticContact CZ2-CE2 3.91Å; W64-F335 HydrophobicContact CZ2-CE2 3.91Å; W64-F335 AromaticContact CZ2-CZ 3.95Å; W64-F335 HydrophobicContact CZ2-CZ 3.95Å | ||
| 65 | E | 92.8 | Very high | 91.8 | Very high | 46 Ų | 46 | 50.7 Ų | 50.7 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | trans | -62.6 | 147 | 173.6 | -63.8 | -168 | 168.8 | 0 | 0 | 111.4 | R26 L54 S59 | R26-E65 IonicContact CZ-OE1 2.84Å; R26-E65 IonicContact CZ-OE2 3.83Å; R26-E65 IonicContact NH1-OE1 3.17Å; R26-E65 PolarHBondContact NH1-OE1 3.35Å; R26-E65 IonicContact NH1-OE2 2.92Å; R26-E65 PolarHBondContact NH1-OE2 2.78Å; R26-E65 IonicContact NH2-OE1 3.73Å; R26-E65 PolarHBondContact NH2-OE1 2.81Å; R26-E65 IonicContact NH2-OE2 2.96Å; L54-E65 WeakPolarHBondContact O-CG 3.15Å; L54-E65 PolarHBondContact O-N 2.83Å; S59-E65 PolarHBondContact OG-OE1 2.75Å | ||
| 66 | D | 90.5 | Very high | 91.2 | Very high | 95 Ų | 95 | 53 Ų | 53 | 51% | 0.508 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -69.8 | -38.6 | -175.7 | -78.7 | -39.7 | 0 | 0 | 0 | 112.5 | P68 S282 | D66-P68 WeakPolarHBondContact O-CD 3.32Å; D66-S282 WeakPolarHBondContact OD1-CA 3.46Å; D66-S282 WeakPolarHBondContact OD1-CB 3.21Å; D66-S282 PolarHBondContact OD1-N 3.02Å; D66-S282 PolarHBondContact OD1-OG 3.02Å |
| 67 | D | 89.8 | Confident | 90.7 | Very high | 136 Ų | 136 | 53.1 Ų | 53.1 | 73% | 0.727 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -88.5 | 111.3 | 177.1 | -65 | -38.5 | 0 | 0 | 0 | 109.5 | ||
| 68 | P | 91.1 | Very high | 90.5 | Very high | 43 Ų | 43 | 51.2 Ų | 51.2 | 28% | 0.279 | 31% | 0.305 | S | S | . | . | trans | -72.1 | 151.9 | 178.9 | 31.9 | -35.9 | 0 | 0 | 0 | 111.2 | E51 A52 D66 | E51-P68 HydrophobicContact CB-CB 4.11Å; E51-P68 HydrophobicContact CB-CG 4.39Å; A52-P68 CarbonylContact O-C 3.49Å; A52-P68 VanDerWaalsContact O-CA 3.31Å; A52-P68 WeakPolarHBondContact O-CA 3.33Å; A52-P68 WeakPolarHBondContact O-CB 3.46Å; D66-P68 WeakPolarHBondContact O-CD 3.32Å | ||
| 69 | V | 92.6 | Very high | 90.5 | Very high | 15 Ų | 15 | 48.7 Ų | 48.7 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 125.9 | 174.2 | 177.1 | 0 | 0 | 0 | 0 | 109.6 | F25 L43 E51 A52 L54 L71 S77 | F25-V69 VanDerWaalsContact O-CG2 3.23Å; F25-V69 WeakPolarHBondContact O-CG2 3.39Å; L43-V69 HydrophobicContact CD2-CB 4.1Å; L43-V69 HydrophobicContact CD2-CG2 3.9Å; E51-V69 CarbonylContact C-O 3.46Å; E51-V69 VanDerWaalsContact CA-O 3.24Å; E51-V69 WeakPolarHBondContact CA-O 3.18Å; A52-V69 PolarHBondContact N-O 3.21Å; A52-V69 PolarHBondContact O-N 2.85Å; L54-V69 HydrophobicContact CB-CG2 3.82Å; L54-V69 HydrophobicContact CD2-CG2 3.82Å; L54-V69 HydrophobicContact CG-CG2 4.34Å; V69-L71 HydrophobicContact CG1-CD2 3.84Å; V69-L71 PolarHBondContact O-N 2.84Å; V69-S77 WeakPolarHBondContact CG1-OG 3.36Å |
| 70 | D | 93.1 | Very high | 90.4 | Very high | 51 Ų | 51 | 50.8 Ų | 50.8 | 27% | 0.273 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 105.3 | 173.4 | -178 | 0.7 | 0 | 0 | 0 | 110.6 | S72 K73 | D70-S72 PolarHBondContact O-N 2.88Å; D70-S72 VanDerWaalsContact OD1-CB 3.24Å; D70-S72 WeakPolarHBondContact OD1-CB 3.25Å; D70-S72 PolarHBondContact OD1-N 3.35Å; D70-S72 PolarHBondContact OD1-OG 2.82Å; D70-S72 PolarHBondContact OD2-OG 3.29Å; D70-K73 HydrophobicContact CB-CG 4.16Å; D70-K73 VanDerWaalsContact OD2-CE 3.25Å; D70-K73 WeakPolarHBondContact OD2-CE 3.32Å |
| 71 | L | 93.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -2.6 | -179.2 | -54.1 | 175.9 | 0 | 0 | 0 | 113.2 | L43 K45 V50 A52 V69 K73 V78 Y137 P139 P140 | L43-L71 HydrophobicContact CD1-CD2 3.9Å; K45-L71 HydrophobicContact CB-CD1 4.43Å; K45-L71 HydrophobicContact CD-CD1 4.04Å; K45-L71 HydrophobicContact CG-CD1 3.96Å; V50-L71 WeakPolarHBondContact O-CB 3.35Å; V50-L71 WeakPolarHBondContact O-CG 3.39Å; V50-L71 PolarHBondContact O-N 3.37Å; A52-L71 HydrophobicContact CB-CD1 3.98Å; A52-L71 HydrophobicContact CB-CG 4.32Å; V69-L71 HydrophobicContact CG1-CD2 3.84Å; V69-L71 PolarHBondContact O-N 2.84Å; L71-K73 VanDerWaalsContact C-N 3.3Å; L71-V78 HydrophobicContact CD2-CB 3.89Å; L71-V78 HydrophobicContact CD2-CG2 3.75Å; L71-Y137 WeakPolarHBondContact O-CE1 3.26Å; L71-Y137 PolarHBondContact O-OH 3.48Å; L71-P139 WeakPolarHBondContact O-CB 3.23Å; L71-P140 HydrophobicContact CB-CG 4.34Å; L71-P140 HydrophobicContact CD1-CG 3.96Å |
| 72 | S | 92.9 | Very high | 90.4 | Very high | 52 Ų | 52 | 43.2 Ų | 43.2 | 36% | 0.364 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -20.7 | 173.8 | 74.2 | 0 | 0 | 0 | 0 | 113.5 | D70 | D70-S72 PolarHBondContact O-N 2.88Å; D70-S72 VanDerWaalsContact OD1-CB 3.24Å; D70-S72 WeakPolarHBondContact OD1-CB 3.25Å; D70-S72 PolarHBondContact OD1-N 3.35Å; D70-S72 PolarHBondContact OD1-OG 2.82Å; D70-S72 PolarHBondContact OD2-OG 3.29Å |
| 73 | K | 91.6 | Very high | 90.3 | Very high | 96 Ų | 96 | 43.5 Ų | 43.5 | 42% | 0.417 | 24% | 0.238 | S | C | . | . | trans | -78.4 | 122.7 | -178.3 | -58.9 | -60.7 | -177.9 | 179.9 | 0 | 110.3 | D70 L71 I76 G79 | D70-K73 HydrophobicContact CB-CG 4.16Å; D70-K73 VanDerWaalsContact OD2-CE 3.25Å; D70-K73 WeakPolarHBondContact OD2-CE 3.32Å; L71-K73 VanDerWaalsContact C-N 3.3Å; K73-I76 HydrophobicContact CB-CD1 4.1Å; K73-I76 HydrophobicContact CB-CG1 3.6Å; K73-I76 HydrophobicContact CG-CD1 4.18Å; K73-I76 HydrophobicContact CG-CG1 4.23Å; K73-G79 VanDerWaalsContact O-CA 3.28Å; K73-G79 WeakPolarHBondContact O-CA 3.37Å | ||
| 74 | S | 88.3 | Confident | 90 | Very high | 51 Ų | 51 | 44.4 Ų | 44.4 | 36% | 0.357 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -91.1 | -8.8 | 177.4 | 60.3 | 0 | 0 | 0 | 0 | 113.5 | G79 E80 | S74-G79 CarbonylContact O-C 3.11Å; S74-E80 VanDerWaalsContact O-CA 3.3Å; S74-E80 WeakPolarHBondContact O-CA 3.49Å; S74-E80 PolarHBondContact O-N 2.81Å |
| 75 | D | 83.4 | Confident | 89.8 | Confident | 113 Ų | 113 | 44.1 Ų | 44.1 | 60% | 0.604 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -102.9 | -2.8 | -173 | 59.6 | -36.1 | 0 | 0 | 0 | 113.5 | ||
| 76 | I | 83.1 | Confident | 89.6 | Confident | 51 Ų | 51 | 43.4 Ų | 43.4 | 26% | 0.262 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -145.8 | 165.1 | 176.5 | 56.2 | 168.3 | 0 | 0 | 0 | 111.5 | A27 K73 G79 E80 | A27-I76 HydrophobicContact CB-CD1 3.66Å; K73-I76 HydrophobicContact CB-CD1 4.1Å; K73-I76 HydrophobicContact CB-CG1 3.6Å; K73-I76 HydrophobicContact CG-CD1 4.18Å; K73-I76 HydrophobicContact CG-CG1 4.23Å; I76-G79 PolarHBondContact O-N 2.94Å; I76-E80 PolarHBondContact O-N 2.85Å; I76-E80 VanDerWaalsContact O-N 3.15Å |
| 77 | S | 84.5 | Confident | 89.6 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | 55.4 | -139.7 | 169.8 | -172.1 | 0 | 0 | 0 | 0 | 112.6 | N24 F25 V69 G79 E80 M81 | N24-S77 CarbonylContact O-C 3.53Å; N24-S77 WeakPolarHBondContact O-CA 2.95Å; F25-S77 VanDerWaalsContact CA-OG 3.29Å; F25-S77 WeakPolarHBondContact CA-OG 3.39Å; F25-S77 PolarHBondContact O-OG 3.47Å; V69-S77 WeakPolarHBondContact CG1-OG 3.36Å; S77-G79 VanDerWaalsContact C-N 3.25Å; S77-G79 PolarHBondContact O-N 2.83Å; S77-E80 PolarHBondContact O-N 2.77Å; S77-M81 WeakPolarHBondContact O-CG 3.33Å; S77-M81 PolarHBondContact O-N 2.66Å |
| 78 | V | 87.9 | Confident | 89.7 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59 | -36 | -179.9 | -177.6 | 0 | 0 | 0 | 0 | 112.6 | N24 F25 L43 L71 M81 I82 W129 | N24-V78 PolarHBondContact O-N 2.85Å; F25-V78 HydrophobicContact CD1-CG2 3.33Å; F25-V78 HydrophobicContact CE1-CG2 3.42Å; F25-V78 VanDerWaalsContact CE1-CG2 3.42Å; L43-V78 HydrophobicContact CD1-CG2 3.5Å; L71-V78 HydrophobicContact CD2-CB 3.89Å; L71-V78 HydrophobicContact CD2-CG2 3.75Å; V78-M81 WeakPolarHBondContact O-CB 3.37Å; V78-M81 PolarHBondContact O-N 2.84Å; V78-I82 HydrophobicContact CG1-CD1 3.81Å; V78-I82 PolarHBondContact O-N 2.9Å; V78-I82 VanDerWaalsContact O-N 3.09Å; V78-W129 HydrophobicContact CG1-CH2 3.62Å; V78-W129 HydrophobicContact CG1-CZ2 3.92Å |
| 79 | G | 89.7 | Confident | 89.7 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.7 | -39 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K73 S74 I76 S77 I82 E83 | K73-G79 VanDerWaalsContact O-CA 3.28Å; K73-G79 WeakPolarHBondContact O-CA 3.37Å; S74-G79 CarbonylContact O-C 3.11Å; I76-G79 PolarHBondContact O-N 2.94Å; S77-G79 VanDerWaalsContact C-N 3.25Å; S77-G79 PolarHBondContact O-N 2.83Å; G79-I82 PolarHBondContact O-N 3.34Å; G79-E83 WeakPolarHBondContact O-CB 3.24Å; G79-E83 PolarHBondContact O-N 3.27Å |
| 80 | E | 88.4 | Confident | 89.6 | Confident | 61 Ų | 61 | 42 Ų | 42 | 29% | 0.285 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.7 | -44.6 | 171.7 | -178 | -171.5 | -165.4 | 0 | 0 | 111.6 | N24 S74 I76 S77 I82 E83 S84 | N24-E80 PolarHBondContact ND2-OE2 3.04Å; S74-E80 VanDerWaalsContact O-CA 3.3Å; S74-E80 WeakPolarHBondContact O-CA 3.49Å; S74-E80 PolarHBondContact O-N 2.81Å; I76-E80 PolarHBondContact O-N 2.85Å; I76-E80 VanDerWaalsContact O-N 3.15Å; S77-E80 PolarHBondContact O-N 2.77Å; E80-I82 VanDerWaalsContact C-N 3.3Å; E80-I82 PolarHBondContact O-N 2.93Å; E80-E83 PolarHBondContact O-N 3.48Å; E80-S84 VanDerWaalsContact O-CB 3.23Å; E80-S84 WeakPolarHBondContact O-CB 3.2Å; E80-S84 PolarHBondContact O-N 3.4Å; E80-S84 PolarHBondContact O-OG 3.25Å |
| 81 | M | 90.3 | Very high | 89.6 | Confident | 9 Ų | 9 | 43 Ų | 43 | 4% | 0.044 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.6 | -43.6 | 178.4 | -65.6 | 169.9 | 58.7 | 0 | 0 | 111.9 | N24 S77 V78 S84 V85 W120 | N24-M81 HydrophobicContact CB-CG 4.22Å; N24-M81 HydrophobicContact CB-SD 4.3Å; N24-M81 PolarHBondContact N-SD 3.29Å; N24-M81 VanDerWaalsContact O-SD 3.36Å; S77-M81 WeakPolarHBondContact O-CG 3.33Å; S77-M81 PolarHBondContact O-N 2.66Å; V78-M81 WeakPolarHBondContact O-CB 3.37Å; V78-M81 PolarHBondContact O-N 2.84Å; M81-S84 PolarHBondContact O-OG 2.65Å; M81-V85 WeakPolarHBondContact O-CG2 3.5Å; M81-W120 HydrophobicContact CB-CZ2 4.41Å; M81-W120 HydrophobicContact CE-CB 3.93Å; M81-W120 HydrophobicContact CE-CD2 3.66Å; M81-W120 HydrophobicContact CE-CE3 4.12Å; M81-W120 HydrophobicContact CE-CG 3.58Å; M81-W120 WeakPolarHBondContact O-CZ2 3.48Å |
| 82 | I | 90.9 | Very high | 89.6 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -79.7 | -41.2 | -177.8 | -70.4 | 165.3 | 0 | 0 | 0 | 111.1 | V78 G79 E80 V85 R86 W120 L122 W129 P130 F132 Y137 | V78-I82 HydrophobicContact CG1-CD1 3.81Å; V78-I82 PolarHBondContact O-N 2.9Å; V78-I82 VanDerWaalsContact O-N 3.09Å; G79-I82 PolarHBondContact O-N 3.34Å; E80-I82 VanDerWaalsContact C-N 3.3Å; E80-I82 PolarHBondContact O-N 2.93Å; I82-V85 PolarHBondContact O-N 2.76Å; I82-R86 WeakPolarHBondContact O-CB 3.1Å; I82-R86 PolarHBondContact O-N 3.44Å; I82-W120 HydrophobicContact CG1-CH2 4.48Å; I82-L122 HydrophobicContact CD1-CD2 4.38Å; I82-W129 HydrophobicContact CD1-CH2 3.16Å; I82-W129 HydrophobicContact CD1-CZ2 2.99Å; I82-W129 HydrophobicContact CD1-CZ3 4.13Å; I82-W129 HydrophobicContact CG1-CZ2 4.49Å; I82-P130 HydrophobicContact CD1-CB 4.02Å; I82-P130 HydrophobicContact CG2-CB 4.14Å; I82-F132 HydrophobicContact CG2-CE1 4.01Å; I82-Y137 HydrophobicContact CB-CD2 4.28Å; I82-Y137 HydrophobicContact CB-CE2 4.08Å; I82-Y137 HydrophobicContact CD1-CE2 4.41Å; I82-Y137 HydrophobicContact CG2-CD2 3.97Å; I82-Y137 HydrophobicContact CG2-CE2 4.06Å |
| 83 | E | 91.6 | Very high | 89.7 | Confident | 45 Ų | 45 | 41.4 Ų | 41.4 | 21% | 0.21 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.1 | -43.5 | -179 | 179.2 | 58.4 | -168.1 | 0 | 0 | 111.6 | G79 E80 V85 R86 A87 Y137 | G79-E83 WeakPolarHBondContact O-CB 3.24Å; G79-E83 PolarHBondContact O-N 3.27Å; E80-E83 PolarHBondContact O-N 3.48Å; E83-V85 VanDerWaalsContact C-N 3.26Å; E83-V85 PolarHBondContact O-N 2.96Å; E83-R86 PolarHBondContact O-N 3.08Å; E83-R86 IonicContact OE1-CZ 2.86Å; E83-R86 IonicContact OE1-NH2 2.65Å; E83-R86 PolarHBondContact OE1-NH2 2.81Å; E83-R86 IonicContact OE2-CZ 2.76Å; E83-R86 IonicContact OE2-NE 2.71Å; E83-R86 PolarHBondContact OE2-NE 2.96Å; E83-R86 IonicContact OE2-NH2 3.62Å; E83-R86 PolarHBondContact OE2-NH2 2.93Å; E83-A87 WeakPolarHBondContact O-CB 3.37Å; E83-A87 PolarHBondContact O-N 2.64Å; E83-Y137 WeakPolarHBondContact OE2-CB 3.41Å; E83-Y137 PolarHBondContact OE2-N 2.83Å |
| 84 | S | 89.1 | Confident | 89.8 | Confident | 53 Ų | 53 | 36.9 Ų | 36.9 | 37% | 0.371 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.5 | -39.9 | 176.9 | 57.3 | 0 | 0 | 0 | 0 | 112.4 | E80 M81 | E80-S84 VanDerWaalsContact O-CB 3.23Å; E80-S84 WeakPolarHBondContact O-CB 3.2Å; E80-S84 PolarHBondContact O-N 3.4Å; E80-S84 PolarHBondContact O-OG 3.25Å; M81-S84 PolarHBondContact O-OG 2.65Å |
| 85 | V | 89.8 | Confident | 90 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -76 | -45.9 | 177.2 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | M81 I82 E83 A87 N88 M89 H92 I94 V113 W120 F132 | M81-V85 WeakPolarHBondContact O-CG2 3.5Å; I82-V85 PolarHBondContact O-N 2.76Å; E83-V85 VanDerWaalsContact C-N 3.26Å; E83-V85 PolarHBondContact O-N 2.96Å; V85-A87 PolarHBondContact O-N 3.27Å; V85-N88 CarbonylContact O-C 3.21Å; V85-N88 VanDerWaalsContact O-C 3.26Å; V85-N88 PolarHBondContact O-N 2.9Å; V85-M89 WeakPolarHBondContact O-CA 3.13Å; V85-M89 WeakPolarHBondContact O-CG 3.4Å; V85-M89 PolarHBondContact O-N 3.08Å; V85-H92 HydrophobicContact CG1-CB 4.5Å; V85-I94 HydrophobicContact CG1-CD1 3.31Å; V85-I94 HydrophobicContact CG1-CG1 3.84Å; V85-V113 HydrophobicContact CB-CG1 4.28Å; V85-V113 HydrophobicContact CG1-CG1 3.81Å; V85-V113 HydrophobicContact CG1-CG2 4.06Å; V85-V113 HydrophobicContact CG2-CB 4.28Å; V85-V113 HydrophobicContact CG2-CG1 3.42Å; V85-V113 VanDerWaalsContact CG2-CG1 3.42Å; V85-V113 HydrophobicContact CG2-CG2 4.41Å; V85-W120 HydrophobicContact CB-CZ2 4.45Å; V85-W120 HydrophobicContact CG2-CZ2 3.75Å; V85-F132 HydrophobicContact CG1-CE1 4.16Å |
| 86 | R | 89.6 | Confident | 90.4 | Very high | 32 Ų | 32 | 29.1 Ų | 29.1 | 12% | 0.121 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.2 | -43.5 | -179.3 | -174.1 | -164.5 | 69.5 | 75.7 | 5.7 | 111.5 | I82 E83 N88 F132 S134 S135 K136 | I82-R86 WeakPolarHBondContact O-CB 3.1Å; I82-R86 PolarHBondContact O-N 3.44Å; E83-R86 PolarHBondContact O-N 3.08Å; E83-R86 IonicContact OE1-CZ 2.86Å; E83-R86 IonicContact OE1-NH2 2.65Å; E83-R86 PolarHBondContact OE1-NH2 2.81Å; E83-R86 IonicContact OE2-CZ 2.76Å; E83-R86 IonicContact OE2-NE 2.71Å; E83-R86 PolarHBondContact OE2-NE 2.96Å; E83-R86 IonicContact OE2-NH2 3.62Å; E83-R86 PolarHBondContact OE2-NH2 2.93Å; R86-N88 VanDerWaalsContact C-N 3.28Å; R86-N88 PolarHBondContact O-N 3.42Å; R86-F132 HydrophobicContact CB-CD1 4.21Å; R86-S134 PolarHBondContact NH1-O 3.43Å; R86-S135 PolarHBondContact NH1-O 2.84Å; R86-K136 VanDerWaalsContact CZ-C 3.42Å; R86-K136 VanDerWaalsContact CZ-CA 3.43Å |
| 87 | A | 91.1 | Very high | 90.6 | Very high | 53 Ų | 53 | 27 Ų | 27 | 44% | 0.438 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -65.8 | -30.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E83 V85 | E83-A87 WeakPolarHBondContact O-CB 3.37Å; E83-A87 PolarHBondContact O-N 2.64Å; V85-A87 PolarHBondContact O-N 3.27Å |
| 88 | N | 90.9 | Very high | 90.4 | Very high | 88 Ų | 88 | 26.8 Ų | 26.8 | 47% | 0.471 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.8 | 51.6 | -177.3 | -60 | -64.1 | 0 | 0 | 0 | 111.8 | V85 R86 A90 D91 H92 | V85-N88 CarbonylContact O-C 3.21Å; V85-N88 VanDerWaalsContact O-C 3.26Å; V85-N88 PolarHBondContact O-N 2.9Å; R86-N88 VanDerWaalsContact C-N 3.28Å; R86-N88 PolarHBondContact O-N 3.42Å; N88-A90 PolarHBondContact O-N 3.44Å; N88-A90 VanDerWaalsContact O-N 3.15Å; N88-D91 HydrophobicContact CB-CB 4.48Å; N88-D91 PolarHBondContact O-N 3.3Å; N88-H92 PolarHBondContact O-ND1 2.93Å |
| 89 | M | 90.8 | Very high | 89.5 | Confident | 50 Ų | 50 | 27.9 Ų | 27.9 | 25% | 0.246 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -57.1 | -35.3 | -174.5 | -73.4 | -173.1 | -72.5 | 0 | 0 | 113.1 | V85 D91 H92 I94 F132 Q174 S176 | V85-M89 WeakPolarHBondContact O-CA 3.13Å; V85-M89 WeakPolarHBondContact O-CG 3.4Å; V85-M89 PolarHBondContact O-N 3.08Å; M89-D91 PolarHBondContact O-N 3.16Å; M89-D91 VanDerWaalsContact O-N 3.17Å; M89-H92 PolarHBondContact O-N 3.01Å; M89-H92 VanDerWaalsContact O-N 3.14Å; M89-I94 HydrophobicContact CB-CD1 3.9Å; M89-I94 HydrophobicContact CG-CD1 3.8Å; M89-I94 HydrophobicContact SD-CD1 4.49Å; M89-F132 HydrophobicContact SD-CB 3.91Å; M89-Q174 PolarHBondContact SD-NE2 3.24Å; M89-S176 WeakPolarHBondContact O-CB 3.2Å; M89-S176 PolarHBondContact O-OG 2.88Å |
| 90 | A | 91.7 | Very high | 88.3 | Confident | 69 Ų | 69 | 30.7 Ų | 30.7 | 57% | 0.57 | 18% | 0.175 | S | C | * | . | G | 310 helix | trans | -62.4 | -20.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N88 P179 | N88-A90 PolarHBondContact O-N 3.44Å; N88-A90 VanDerWaalsContact O-N 3.15Å; A90-P179 WeakPolarHBondContact O-CD 3.46Å |
| 91 | D | 92.3 | Very high | 86.4 | Confident | 72 Ų | 72 | 30 Ų | 30 | 39% | 0.385 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -91.3 | -0.3 | -179.2 | -65.5 | -20.7 | 0 | 0 | 0 | 113.2 | N88 M89 K115 | N88-D91 HydrophobicContact CB-CB 4.48Å; N88-D91 PolarHBondContact O-N 3.3Å; M89-D91 PolarHBondContact O-N 3.16Å; M89-D91 VanDerWaalsContact O-N 3.17Å; D91-K115 VanDerWaalsContact O-CD 3.28Å; D91-K115 WeakPolarHBondContact O-CD 3.37Å; D91-K115 WeakPolarHBondContact O-CE 3.49Å |
| 92 | H | 93.1 | Very high | 84.1 | Confident | 19 Ų | 19 | 31.4 Ų | 31.4 | 9% | 0.088 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -126.2 | 144.4 | -173.7 | -61.4 | 92.7 | 0 | 0 | 0 | 111.6 | V85 N88 M89 I94 V113 S176 | V85-H92 HydrophobicContact CG1-CB 4.5Å; N88-H92 PolarHBondContact O-ND1 2.93Å; M89-H92 PolarHBondContact O-N 3.01Å; M89-H92 VanDerWaalsContact O-N 3.14Å; H92-I94 HydrophobicContact CB-CD1 4.26Å; H92-I94 HydrophobicContact CB-CG1 3.96Å; H92-V113 HydrophobicContact CB-CG1 4.07Å; H92-S176 CarbonylContact O-C 3.39Å; H92-S176 WeakPolarHBondContact O-CB 3.4Å; H92-S176 PolarHBondContact O-OG 3.03Å |
| 93 | N | 94.9 | Very high | 82 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 120.6 | 163.5 | -73.2 | -44.6 | 0 | 0 | 0 | 108.3 | V113 Y114 S176 K177 A178 D181 L184 | N93-V113 WeakPolarHBondContact O-CA 3.15Å; N93-Y114 HydrophobicContact CB-CD1 3.78Å; N93-Y114 HydrophobicContact CB-CD2 4.25Å; N93-Y114 HydrophobicContact CB-CE1 3.37Å; N93-Y114 HydrophobicContact CB-CE2 3.87Å; N93-Y114 HydrophobicContact CB-CG 4.2Å; N93-Y114 VanDerWaalsContact CB-CZ 3.42Å; N93-Y114 WeakPolarHBondContact CB-O 3.13Å; N93-Y114 PolarHBondContact N-O 2.83Å; N93-Y114 WeakPolarHBondContact ND2-CE2 3.16Å; N93-Y114 PolarHBondContact O-N 2.76Å; N93-Y114 VanDerWaalsContact O-N 3.08Å; N93-S176 WeakPolarHBondContact CA-O 3.44Å; N93-K177 WeakPolarHBondContact OD1-CA 3.31Å; N93-A178 PolarHBondContact OD1-N 2.87Å; N93-D181 WeakPolarHBondContact ND2-CB 3.37Å; N93-D181 VanDerWaalsContact ND2-CG 3.29Å; N93-D181 PolarHBondContact ND2-O 3.24Å; N93-D181 VanDerWaalsContact ND2-O 3.1Å; N93-D181 PolarHBondContact ND2-OD2 3.26Å; N93-L184 HydrophobicContact CB-CD1 4.31Å |
| 94 | I | 94.2 | Very high | 79.6 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 129.4 | -175.5 | -55.5 | 172 | 0 | 0 | 0 | 108.4 | V85 M89 H92 L112 V113 Q174 V175 S176 | V85-I94 HydrophobicContact CG1-CD1 3.31Å; V85-I94 HydrophobicContact CG1-CG1 3.84Å; M89-I94 HydrophobicContact CB-CD1 3.9Å; M89-I94 HydrophobicContact CG-CD1 3.8Å; M89-I94 HydrophobicContact SD-CD1 4.49Å; H92-I94 HydrophobicContact CB-CD1 4.26Å; H92-I94 HydrophobicContact CB-CG1 3.96Å; I94-L112 WeakPolarHBondContact CA-O 3.44Å; I94-V113 HydrophobicContact CG1-CG1 4.19Å; I94-V113 HydrophobicContact CG1-CG2 4.24Å; I94-V113 HydrophobicContact CG2-CG2 4.26Å; I94-Q174 HydrophobicContact CG2-CG 3.95Å; I94-V175 VanDerWaalsContact O-CA 3.31Å; I94-V175 WeakPolarHBondContact O-CA 3.06Å; I94-S176 PolarHBondContact N-O 2.89Å; I94-S176 PolarHBondContact O-N 3.38Å; I94-S176 VanDerWaalsContact O-N 3.09Å |
| 95 | I | 93.1 | Very high | 77.5 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 106.6 | 161.3 | -61.4 | 176.4 | 0 | 0 | 0 | 106.6 | L112 W161 I172 L184 L190 L193 | I95-L112 PolarHBondContact N-O 3.34Å; I95-L112 PolarHBondContact O-N 2.9Å; I95-W161 HydrophobicContact CB-CH2 4.32Å; I95-W161 HydrophobicContact CD1-CZ3 4.41Å; I95-W161 HydrophobicContact CG2-CH2 4.18Å; I95-I172 HydrophobicContact CG2-CD1 4.12Å; I95-I172 HydrophobicContact CG2-CG2 4.21Å; I95-L184 HydrophobicContact CD1-CD1 4.17Å; I95-L184 HydrophobicContact CD1-CG 4.44Å; I95-L184 HydrophobicContact CG1-CD1 3.97Å; I95-L190 HydrophobicContact CD1-CB 4.21Å; I95-L190 HydrophobicContact CD1-CD2 4.16Å; I95-L193 HydrophobicContact CD1-CB 4.41Å; I95-L193 HydrophobicContact CD1-CD1 4.15Å; I95-L193 HydrophobicContact CG2-CD1 4.31Å |
| 96 | A | 91 | Very high | 75.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 128.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | A111 F132 I172 Y173 Q174 | A96-A111 HydrophobicContact CB-CB 4.15Å; A96-F132 HydrophobicContact CB-CD2 4.08Å; A96-F132 HydrophobicContact CB-CE2 3.77Å; A96-I172 WeakPolarHBondContact O-CG2 3.14Å; A96-Y173 VanDerWaalsContact C-CE1 3.49Å; A96-Y173 HydrophobicContact CB-CD1 4.32Å; A96-Y173 HydrophobicContact CB-CE1 3.59Å; A96-Y173 HydrophobicContact CB-CE2 3.93Å; A96-Y173 WeakPolarHBondContact O-CD1 3.3Å; A96-Y173 PolarHBondContact O-N 2.89Å; A96-Q174 HydrophobicContact CB-CB 3.95Å; A96-Q174 PolarHBondContact N-O 2.98Å; A96-Q174 PolarHBondContact O-N 2.95Å; A96-Q174 VanDerWaalsContact O-N 3.16Å |
| 97 | Y | 87.8 | Confident | 73.6 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 2% | 0.024 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 175 | -176.7 | 78.2 | -93.2 | 0 | 0 | 0 | 112.7 | Q109 C110 W161 M165 Q168 P170 F171 I172 Y173 | Y97-Q109 CarbonylContact C-O 3.6Å; Y97-Q109 VanDerWaalsContact C-O 3.23Å; Y97-Q109 WeakPolarHBondContact CD2-O 3.41Å; Y97-Q109 HydrophobicContact CE2-CB 4.31Å; Y97-Q109 WeakPolarHBondContact CE2-O 3.32Å; Y97-Q109 VanDerWaalsContact CZ-O 3.22Å; Y97-Q109 CarbonylContact O-C 3.55Å; Y97-Q109 PolarHBondContact O-N 3.25Å; Y97-C110 HydrophobicContact CD1-CB 4.15Å; Y97-C110 HydrophobicContact CE1-CB 3.43Å; Y97-C110 VanDerWaalsContact CE1-CB 3.43Å; Y97-C110 HydrophobicContact CE2-CB 4.39Å; Y97-C110 PolarHBondContact N-O 2.94Å; Y97-C110 WeakPolarHBondContact OH-CB 3.42Å; Y97-W161 HydrophobicContact CE1-CH2 4.43Å; Y97-W161 AromaticContact CE1-CZ2 3.97Å; Y97-W161 HydrophobicContact CE1-CZ2 3.97Å; Y97-M165 HydrophobicContact CE1-CB 4.21Å; Y97-M165 HydrophobicContact CE1-CG 3.86Å; Y97-M165 HydrophobicContact CE1-SD 3.54Å; Y97-M165 VanDerWaalsContact CE1-SD 3.54Å; Y97-M165 PolarHBondContact OH-SD 3.5Å; Y97-Q168 PolarHBondContact OH-OE1 3.33Å; Y97-P170 HydrophobicContact CD2-CB 3.29Å; Y97-P170 HydrophobicContact CE2-CB 3.95Å; Y97-P170 HydrophobicContact CG-CB 3.74Å; Y97-F171 CarbonylContact C-O 3.5Å; Y97-F171 VanDerWaalsContact CA-O 3.29Å; Y97-F171 WeakPolarHBondContact CA-O 3.44Å; Y97-F171 WeakPolarHBondContact CB-O 3.3Å; Y97-I172 HydrophobicContact CG-CD1 4.16Å; Y97-Y173 WeakPolarHBondContact O-CE1 3.41Å |
| 98 | S | 79.8 | Confident | 71.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 157.5 | 178 | 179.1 | 0 | 0 | 0 | 0 | 109 | F100 T107 I108 P170 F171 | S98-F100 WeakPolarHBondContact CB-O 3.32Å; S98-F100 PolarHBondContact OG-N 2.88Å; S98-F100 PolarHBondContact OG-O 2.67Å; S98-T107 PolarHBondContact OG-O 2.84Å; S98-I108 WeakPolarHBondContact OG-CA 3.41Å; S98-P170 CarbonylContact O-C 3.57Å; S98-F171 PolarHBondContact N-O 3.37Å; S98-F171 WeakPolarHBondContact O-CA 3.35Å; S98-F171 WeakPolarHBondContact O-CB 3.43Å; S98-F171 PolarHBondContact O-N 3.13Å |
| 99 | N | 70.5 | Confident | 70.5 | Confident | 24 Ų | 24 | 43.5 Ų | 43.5 | 13% | 0.128 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -76.7 | -11.6 | 165.2 | 64.7 | -18 | 0 | 0 | 0 | 112.2 | T107 Q109 | N99-T107 PolarHBondContact OD1-O 3.2Å; N99-Q109 PolarHBondContact ND2-NE2 3.35Å; N99-Q109 PolarHBondContact OD1-NE2 3.23Å; N99-Q109 PolarHBondContact OD1-OE1 2.79Å |
| 100 | F | 64.7 | Low | 69.8 | Low | 60 Ų | 60 | 41.2 Ų | 41.2 | 26% | 0.263 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -140.1 | 134.4 | 175.4 | -68.1 | -79.2 | 0 | 0 | 0 | 111.6 | S98 A104 E106 V319 | S98-F100 WeakPolarHBondContact CB-O 3.32Å; S98-F100 PolarHBondContact OG-N 2.88Å; S98-F100 PolarHBondContact OG-O 2.67Å; F100-A104 HydrophobicContact CB-CB 4.16Å; F100-E106 HydrophobicContact CB-CB 4.5Å; F100-E106 HydrophobicContact CD2-CB 3.51Å; F100-E106 HydrophobicContact CE2-CB 3.9Å; F100-E106 HydrophobicContact CG-CB 4.1Å; F100-V319 HydrophobicContact CZ-CG1 4.4Å |
| 101 | P | 47 | Very low | 69.5 | Low | 47 Ų | 47 | 37.9 Ų | 37.9 | 31% | 0.305 | 18% | 0.182 | S | C | . | . | trans | -57.6 | 152.1 | -176.1 | 23 | -32.5 | 0 | 0 | 0 | 112.3 | H103 A104 F171 | P101-H103 PolarHBondContact O-N 2.72Å; P101-A104 HydrophobicContact CG-CB 3.72Å; P101-A104 WeakPolarHBondContact O-CB 3.28Å; P101-A104 PolarHBondContact O-N 2.73Å; P101-F171 HydrophobicContact CB-CD1 3.64Å; P101-F171 HydrophobicContact CB-CD2 4.17Å; P101-F171 HydrophobicContact CB-CE1 3.53Å; P101-F171 HydrophobicContact CB-CE2 4.06Å; P101-F171 HydrophobicContact CB-CG 3.97Å; P101-F171 HydrophobicContact CB-CZ 3.75Å | ||
| 102 | P | 43.4 | Very low | 69.3 | Low | 38 Ų | 38 | 34.5 Ų | 34.5 | 25% | 0.247 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | 135.2 | 165.5 | -23.4 | 32.3 | 0 | 0 | 0 | 109.4 | A104 I108 Y173 | P102-A104 VanDerWaalsContact C-N 3.34Å; P102-A104 PolarHBondContact O-N 3.04Å; P102-I108 HydrophobicContact CB-CD1 4.44Å; P102-I108 HydrophobicContact CG-CD1 4.17Å; P102-Y173 HydrophobicContact CG-CD1 4.42Å; P102-Y173 HydrophobicContact CG-CD2 3.98Å; P102-Y173 HydrophobicContact CG-CG 3.78Å |
| 103 | H | 45.4 | Very low | 69.1 | Low | 176 Ų | 176 | 33.6 Ų | 33.6 | 82% | 0.815 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | -3.5 | -172.1 | -40.6 | -72.2 | 0 | 0 | 0 | 117.5 | P101 | P101-H103 PolarHBondContact O-N 2.72Š|
| 104 | A | 41.5 | Very low | 68.8 | Low | 31 Ų | 31 | 33.6 Ų | 33.6 | 26% | 0.256 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -82 | 168.8 | 159.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F100 P101 P102 E106 | F100-A104 HydrophobicContact CB-CB 4.16Å; P101-A104 HydrophobicContact CG-CB 3.72Å; P101-A104 WeakPolarHBondContact O-CB 3.28Å; P101-A104 PolarHBondContact O-N 2.73Å; P102-A104 VanDerWaalsContact C-N 3.34Å; P102-A104 PolarHBondContact O-N 3.04Å; A104-E106 VanDerWaalsContact C-N 3.27Å; A104-E106 PolarHBondContact O-N 2.96Å; A104-E106 VanDerWaalsContact O-N 3.12Å |
| 105 | R | 45.2 | Very low | 68.5 | Low | 241 Ų | 241 | 36.6 Ų | 36.6 | 91% | 0.909 | 17% | 0.173 | S | C | * | . | S | Bend | trans | -66.2 | -10.1 | -165.5 | -92.8 | -176.2 | 173.8 | -165.4 | -2.5 | 116.4 | ||
| 106 | E | 46.2 | Very low | 67.9 | Low | 61 Ų | 61 | 42 Ų | 42 | 29% | 0.285 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -143.1 | 176.1 | -167.3 | -68.5 | -168.6 | -174.9 | 0 | 0 | 115.1 | F100 A104 | F100-E106 HydrophobicContact CB-CB 4.5Å; F100-E106 HydrophobicContact CD2-CB 3.51Å; F100-E106 HydrophobicContact CE2-CB 3.9Å; F100-E106 HydrophobicContact CG-CB 4.1Å; A104-E106 VanDerWaalsContact C-N 3.27Å; A104-E106 PolarHBondContact O-N 2.96Å; A104-E106 VanDerWaalsContact O-N 3.12Å |
| 107 | T | 50.8 | Low | 67.9 | Low | 10 Ų | 10 | 42.6 Ų | 42.6 | 6% | 0.061 | 21% | 0.208 | C | C | . | . | trans | -49.7 | 135.6 | -158 | 28.6 | 0 | 0 | 0 | 0 | 115.3 | S98 N99 Q109 T125 N127 | S98-T107 PolarHBondContact OG-O 2.84Å; N99-T107 PolarHBondContact OD1-O 3.2Å; T107-Q109 WeakPolarHBondContact O-CG 3.13Å; T107-Q109 PolarHBondContact OG1-NE2 3.04Å; T107-T125 WeakPolarHBondContact CG2-O 3.3Å; T107-N127 VanDerWaalsContact CG2-OD1 3.25Å; T107-N127 WeakPolarHBondContact CG2-OD1 3.22Å | ||
| 108 | I | 48.6 | Very low | 68.1 | Low | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 141 | 164.8 | -63.9 | -164.6 | 0 | 0 | 0 | 108.7 | S98 P102 H124 K128 W129 Y173 | S98-I108 WeakPolarHBondContact OG-CA 3.41Å; P102-I108 HydrophobicContact CB-CD1 4.44Å; P102-I108 HydrophobicContact CG-CD1 4.17Å; I108-H124 VanDerWaalsContact C-CE1 3.47Å; I108-H124 PolarHBondContact O-CE1 2.73Å; I108-H124 PolarHBondContact O-ND1 3.33Å; I108-K128 VanDerWaalsContact CD1-CA 3.45Å; I108-W129 VanDerWaalsContact CB-O 3.26Å; I108-W129 WeakPolarHBondContact CB-O 3.41Å; I108-W129 WeakPolarHBondContact CG2-O 2.88Å; I108-Y173 HydrophobicContact CG2-CD1 4.45Å; I108-Y173 HydrophobicContact CG2-CE1 3.52Å |
| 109 | Q | 68 | Low | 68.7 | Low | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.019 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 99 | -162 | -56.9 | -179.5 | -7.4 | 0 | 0 | 111 | Y97 N99 T107 N309 | Y97-Q109 CarbonylContact C-O 3.6Å; Y97-Q109 VanDerWaalsContact C-O 3.23Å; Y97-Q109 WeakPolarHBondContact CD2-O 3.41Å; Y97-Q109 HydrophobicContact CE2-CB 4.31Å; Y97-Q109 WeakPolarHBondContact CE2-O 3.32Å; Y97-Q109 VanDerWaalsContact CZ-O 3.22Å; Y97-Q109 CarbonylContact O-C 3.55Å; Y97-Q109 PolarHBondContact O-N 3.25Å; N99-Q109 PolarHBondContact ND2-NE2 3.35Å; N99-Q109 PolarHBondContact OD1-NE2 3.23Å; N99-Q109 PolarHBondContact OD1-OE1 2.79Å; T107-Q109 WeakPolarHBondContact O-CG 3.13Å; T107-Q109 PolarHBondContact OG1-NE2 3.04Å; Q109-N309 VanDerWaalsContact CD-CB 3.42Å; Q109-N309 HydrophobicContact CG-CB 4.27Å; Q109-N309 PolarHBondContact NE2-O 3.22Å; Q109-N309 VanDerWaalsContact OE1-CB 3.25Å; Q109-N309 VanDerWaalsContact OE1-CG 3.26Å; Q109-N309 PolarHBondContact OE1-ND2 3.3Å |
| 110 | C | 76.4 | Confident | 69.8 | Low | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 83.6 | 123.6 | 165.9 | -148.9 | 0 | 0 | 0 | 0 | 115.7 | Y97 L121 L122 T123 | Y97-C110 HydrophobicContact CD1-CB 4.15Å; Y97-C110 HydrophobicContact CE1-CB 3.43Å; Y97-C110 VanDerWaalsContact CE1-CB 3.43Å; Y97-C110 HydrophobicContact CE2-CB 4.39Å; Y97-C110 PolarHBondContact N-O 2.94Å; Y97-C110 WeakPolarHBondContact OH-CB 3.42Å; C110-L121 WeakPolarHBondContact SG-CD1 3.49Å; C110-L122 WeakPolarHBondContact CA-O 3.18Å; C110-T123 PolarHBondContact SG-OG1 3.1Å; C110-T123 VanDerWaalsContact SG-OG1 3.38Å |
| 111 | A | 84.8 | Confident | 71.3 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | A96 W120 L122 F132 | A96-A111 HydrophobicContact CB-CB 4.15Å; A111-W120 HydrophobicContact CB-CH2 4.44Å; A111-W120 HydrophobicContact CB-CZ3 3.91Å; A111-L122 PolarHBondContact N-O 2.97Å; A111-L122 VanDerWaalsContact N-O 3.12Å; A111-L122 PolarHBondContact O-N 2.94Å; A111-F132 HydrophobicContact CB-CE2 4.21Å; A111-F132 HydrophobicContact CB-CZ 4.32Å |
| 112 | L | 89.2 | Confident | 73.5 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 126.3 | 164.8 | 171.4 | 68.8 | 0 | 0 | 0 | 108.1 | I94 I95 Y114 L121 I153 L158 W161 L190 | I94-L112 WeakPolarHBondContact CA-O 3.44Å; I95-L112 PolarHBondContact N-O 3.34Å; I95-L112 PolarHBondContact O-N 2.9Å; L112-Y114 HydrophobicContact CD1-CD1 4.44Å; L112-Y114 HydrophobicContact CD2-CD1 4.13Å; L112-Y114 HydrophobicContact CD2-CE1 4.16Å; L112-Y114 HydrophobicContact CG-CD1 4.08Å; L112-L121 HydrophobicContact CB-CD1 4.17Å; L112-L121 HydrophobicContact CD1-CD1 4.43Å; L112-I153 HydrophobicContact CD1-CG2 3.78Å; L112-L158 HydrophobicContact CD1-CD2 3.68Å; L112-L158 HydrophobicContact CD2-CD2 3.9Å; L112-L158 HydrophobicContact CG-CD2 4.4Å; L112-W161 HydrophobicContact CB-CH2 3.49Å; L112-W161 VanDerWaalsContact CB-CH2 3.49Å; L112-W161 HydrophobicContact CB-CZ2 3.72Å; L112-W161 HydrophobicContact CB-CZ3 4.03Å; L112-W161 HydrophobicContact CD2-CD2 4.3Å; L112-W161 HydrophobicContact CD2-CE3 3.59Å; L112-W161 HydrophobicContact CD2-CH2 3.72Å; L112-W161 HydrophobicContact CD2-CZ2 4.39Å; L112-W161 HydrophobicContact CD2-CZ3 3.29Å; L112-W161 HydrophobicContact CG-CH2 4.22Å; L112-W161 HydrophobicContact CG-CZ3 4.26Å; L112-L190 HydrophobicContact CD2-CD2 4.26Å |
| 113 | V | 88.3 | Confident | 75.9 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 132.1 | 173.1 | -174.8 | 0 | 0 | 0 | 0 | 110.2 | L21 V85 H92 N93 I94 G119 W120 | L21-V113 HydrophobicContact CD1-CB 4.49Å; L21-V113 HydrophobicContact CD1-CG1 3.65Å; V85-V113 HydrophobicContact CB-CG1 4.28Å; V85-V113 HydrophobicContact CG1-CG1 3.81Å; V85-V113 HydrophobicContact CG1-CG2 4.06Å; V85-V113 HydrophobicContact CG2-CB 4.28Å; V85-V113 HydrophobicContact CG2-CG1 3.42Å; V85-V113 VanDerWaalsContact CG2-CG1 3.42Å; V85-V113 HydrophobicContact CG2-CG2 4.41Å; H92-V113 HydrophobicContact CB-CG1 4.07Å; N93-V113 WeakPolarHBondContact O-CA 3.15Å; I94-V113 HydrophobicContact CG1-CG1 4.19Å; I94-V113 HydrophobicContact CG1-CG2 4.24Å; I94-V113 HydrophobicContact CG2-CG2 4.26Å; V113-G119 CarbonylContact O-C 3.42Å; V113-G119 WeakPolarHBondContact O-CA 3.36Å; V113-W120 HydrophobicContact CB-CD2 4.05Å; V113-W120 HydrophobicContact CB-CE3 4.27Å; V113-W120 HydrophobicContact CB-CH2 3.9Å; V113-W120 HydrophobicContact CB-CZ2 3.64Å; V113-W120 HydrophobicContact CB-CZ3 4.19Å; V113-W120 HydrophobicContact CG1-CZ2 4.22Å; V113-W120 HydrophobicContact CG2-CD2 4.42Å; V113-W120 HydrophobicContact CG2-CE3 4.24Å; V113-W120 HydrophobicContact CG2-CH2 3.26Å; V113-W120 HydrophobicContact CG2-CZ2 3.47Å; V113-W120 VanDerWaalsContact CG2-CZ2 3.47Å; V113-W120 HydrophobicContact CG2-CZ3 3.67Å; V113-W120 PolarHBondContact N-O 2.87Å; V113-W120 PolarHBondContact O-N 2.77Å |
| 114 | Y | 88.4 | Confident | 78.2 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 161.7 | 179.7 | 72.3 | -81.4 | 0 | 0 | 0 | 111.7 | N93 L112 G119 L158 D181 S183 L184 L190 | N93-Y114 HydrophobicContact CB-CD1 3.78Å; N93-Y114 HydrophobicContact CB-CD2 4.25Å; N93-Y114 HydrophobicContact CB-CE1 3.37Å; N93-Y114 HydrophobicContact CB-CE2 3.87Å; N93-Y114 HydrophobicContact CB-CG 4.2Å; N93-Y114 VanDerWaalsContact CB-CZ 3.42Å; N93-Y114 WeakPolarHBondContact CB-O 3.13Å; N93-Y114 PolarHBondContact N-O 2.83Å; N93-Y114 WeakPolarHBondContact ND2-CE2 3.16Å; N93-Y114 PolarHBondContact O-N 2.76Å; N93-Y114 VanDerWaalsContact O-N 3.08Å; L112-Y114 HydrophobicContact CD1-CD1 4.44Å; L112-Y114 HydrophobicContact CD2-CD1 4.13Å; L112-Y114 HydrophobicContact CD2-CE1 4.16Å; L112-Y114 HydrophobicContact CG-CD1 4.08Å; Y114-G119 VanDerWaalsContact CB-CA 3.49Å; Y114-L158 HydrophobicContact CD1-CD1 3.96Å; Y114-L158 HydrophobicContact CD2-CD1 3.77Å; Y114-L158 HydrophobicContact CE1-CD1 3.86Å; Y114-L158 HydrophobicContact CE2-CD1 3.67Å; Y114-L158 HydrophobicContact CG-CD1 3.91Å; Y114-D181 WeakPolarHBondContact CE2-OD2 3.35Å; Y114-S183 WeakPolarHBondContact CE2-OG 3.06Å; Y114-S183 PolarHBondContact OH-OG 3.22Å; Y114-L184 PolarHBondContact OH-N 3Å; Y114-L190 HydrophobicContact CE1-CD1 4.37Å |
| 115 | K | 87.8 | Confident | 80.6 | Confident | 64 Ų | 64 | 27.6 Ų | 27.6 | 28% | 0.278 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -151.1 | 107.9 | 176.3 | -176 | -176.8 | -174.4 | 172.4 | 0 | 111.3 | G19 L21 D91 G117 | G19-K115 CarbonylContact C-O 3.54Å; G19-K115 WeakPolarHBondContact CA-O 3.22Å; L21-K115 HydrophobicContact CD1-CB 4.42Å; D91-K115 VanDerWaalsContact O-CD 3.28Å; D91-K115 WeakPolarHBondContact O-CD 3.37Å; D91-K115 WeakPolarHBondContact O-CE 3.49Å; K115-G117 PolarHBondContact O-N 3.47Å |
| 116 | D | 82.3 | Confident | 82.8 | Confident | 115 Ų | 115 | 16.4 Ų | 16.4 | 62% | 0.615 | 9% | 0.087 | S | C | * | . | S | Bend | trans | 57.2 | 4.4 | 174.6 | -156.1 | 30.5 | 0 | 0 | 0 | 116.9 | K155 D181 | D116-K155 IonicContact OD1-NZ 3.74Å; D116-D181 WeakPolarHBondContact CA-OD2 3.11Å; D116-D181 PolarHBondContact N-OD2 2.91Å |
| 117 | G | 89.2 | Confident | 84.6 | Confident | 12 Ų | 12 | 16 Ų | 16 | 12% | 0.124 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -165.8 | -141.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D20 K115 | D20-G117 WeakPolarHBondContact OD1-CA 2.96Å; K115-G117 PolarHBondContact O-N 3.47Å |
| 118 | N | 92.2 | Very high | 86.1 | Confident | 31 Ų | 31 | 22.1 Ų | 22.1 | 17% | 0.166 | 11% | 0.112 | C | C | . | . | trans | -59.4 | 144.5 | 176.8 | -68.6 | -34.6 | 0 | 0 | 0 | 110.9 | D20 L21 T152 P154 | D20-N118 HydrophobicContact CB-CB 4.21Å; D20-N118 PolarHBondContact OD1-N 3.03Å; D20-N118 PolarHBondContact OD2-ND2 3Å; L21-N118 PolarHBondContact N-O 2.82Å; L21-N118 CarbonylContact O-C 3.26Å; N118-T152 HydrophobicContact CB-CG2 4.15Å; N118-P154 WeakPolarHBondContact OD1-CA 3.26Å; N118-P154 WeakPolarHBondContact OD1-CB 3.42Å | ||
| 119 | G | 93.3 | Very high | 88 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 170.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L21 V113 Y114 T152 I153 | L21-G119 CarbonylContact O-C 3.01Å; L21-G119 WeakPolarHBondContact O-CA 3.39Å; V113-G119 CarbonylContact O-C 3.42Å; V113-G119 WeakPolarHBondContact O-CA 3.36Å; Y114-G119 VanDerWaalsContact CB-CA 3.49Å; G119-T152 CarbonylContact O-C 3.57Å; G119-T152 WeakPolarHBondContact O-CA 3.14Å; G119-I153 PolarHBondContact N-O 2.95Å; G119-I153 PolarHBondContact O-N 2.74Å |
| 120 | W | 93.7 | Very high | 89 | Confident | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.015 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 139.2 | 160.3 | 53.3 | -105.8 | 0 | 0 | 0 | 110.5 | M81 I82 V85 A111 V113 L122 F132 I151 | M81-W120 HydrophobicContact CB-CZ2 4.41Å; M81-W120 HydrophobicContact CE-CB 3.93Å; M81-W120 HydrophobicContact CE-CD2 3.66Å; M81-W120 HydrophobicContact CE-CE3 4.12Å; M81-W120 HydrophobicContact CE-CG 3.58Å; M81-W120 WeakPolarHBondContact O-CZ2 3.48Å; I82-W120 HydrophobicContact CG1-CH2 4.48Å; V85-W120 HydrophobicContact CB-CZ2 4.45Å; V85-W120 HydrophobicContact CG2-CZ2 3.75Å; A111-W120 HydrophobicContact CB-CH2 4.44Å; A111-W120 HydrophobicContact CB-CZ3 3.91Å; V113-W120 HydrophobicContact CB-CD2 4.05Å; V113-W120 HydrophobicContact CB-CE3 4.27Å; V113-W120 HydrophobicContact CB-CH2 3.9Å; V113-W120 HydrophobicContact CB-CZ2 3.64Å; V113-W120 HydrophobicContact CB-CZ3 4.19Å; V113-W120 HydrophobicContact CG1-CZ2 4.22Å; V113-W120 HydrophobicContact CG2-CD2 4.42Å; V113-W120 HydrophobicContact CG2-CE3 4.24Å; V113-W120 HydrophobicContact CG2-CH2 3.26Å; V113-W120 HydrophobicContact CG2-CZ2 3.47Å; V113-W120 VanDerWaalsContact CG2-CZ2 3.47Å; V113-W120 HydrophobicContact CG2-CZ3 3.67Å; V113-W120 PolarHBondContact N-O 2.87Å; V113-W120 PolarHBondContact O-N 2.77Å; W120-L122 HydrophobicContact CE3-CB 3.95Å; W120-L122 HydrophobicContact CZ3-CB 3.89Å; W120-F132 HydrophobicContact CH2-CZ 4.46Å; W120-I151 WeakPolarHBondContact CA-O 3.48Å |
| 121 | L | 95.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 110.8 | 174.2 | 176.7 | 66.4 | 0 | 0 | 0 | 108.6 | C110 L112 C150 I151 I153 W161 F210 | C110-L121 WeakPolarHBondContact SG-CD1 3.49Å; L112-L121 HydrophobicContact CB-CD1 4.17Å; L112-L121 HydrophobicContact CD1-CD1 4.43Å; L121-C150 CarbonylContact O-C 3.52Å; L121-C150 VanDerWaalsContact O-CA 3.26Å; L121-C150 WeakPolarHBondContact O-CA 3.22Å; L121-I151 HydrophobicContact CB-CB 4.43Å; L121-I151 HydrophobicContact CD2-CD1 4.37Å; L121-I151 PolarHBondContact N-O 3.28Å; L121-I151 PolarHBondContact O-N 2.96Å; L121-I153 HydrophobicContact CB-CB 4.41Å; L121-I153 HydrophobicContact CB-CG2 4.04Å; L121-I153 HydrophobicContact CD2-CD1 4.37Å; L121-W161 HydrophobicContact CD1-CZ2 3.72Å; L121-F210 HydrophobicContact CD2-CZ 4.15Å |
| 122 | L | 94.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 97.5 | -177.5 | -178.2 | 65.3 | 0 | 0 | 0 | 111 | I82 C110 A111 W120 W129 L148 V149 C150 | I82-L122 HydrophobicContact CD1-CD2 4.38Å; C110-L122 WeakPolarHBondContact CA-O 3.18Å; A111-L122 PolarHBondContact N-O 2.97Å; A111-L122 VanDerWaalsContact N-O 3.12Å; A111-L122 PolarHBondContact O-N 2.94Å; W120-L122 HydrophobicContact CE3-CB 3.95Å; W120-L122 HydrophobicContact CZ3-CB 3.89Å; L122-W129 HydrophobicContact CD2-CH2 3.77Å; L122-W129 HydrophobicContact CD2-CZ3 3.71Å; L122-L148 HydrophobicContact CD1-CB 4.28Å; L122-L148 HydrophobicContact CD1-CD2 4.4Å; L122-V149 CarbonylContact C-O 3.57Å; L122-C150 HydrophobicContact CD1-CB 3.98Å |
| 123 | T | 93.4 | Very high | 89.1 | Confident | 22 Ų | 22 | 31.5 Ų | 31.5 | 14% | 0.135 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 129.8 | 172.1 | -58.2 | 0 | 0 | 0 | 0 | 109.7 | C110 L148 V149 I307 | C110-T123 PolarHBondContact SG-OG1 3.1Å; C110-T123 VanDerWaalsContact SG-OG1 3.38Å; T123-L148 CarbonylContact O-C 3.59Å; T123-L148 WeakPolarHBondContact O-CA 3.2Å; T123-V149 PolarHBondContact N-O 2.97Å; T123-V149 PolarHBondContact O-N 3.09Å; T123-I307 HydrophobicContact CG2-CD1 4.26Å; T123-I307 HydrophobicContact CG2-CG2 4.12Å |
| 124 | H | 93.7 | Very high | 89 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 1% | 0.014 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 167.6 | -178.3 | 63.5 | 76.4 | 0 | 0 | 0 | 113.3 | I108 V126 W129 L147 L148 | I108-H124 VanDerWaalsContact C-CE1 3.47Å; I108-H124 PolarHBondContact O-CE1 2.73Å; I108-H124 PolarHBondContact O-ND1 3.33Å; H124-V126 HydrophobicContact CB-CG2 4.31Å; H124-V126 PolarHBondContact ND1-N 3.36Å; H124-V126 PolarHBondContact ND1-O 2.9Å; H124-W129 AromaticContact CD2-CZ3 3.96Å; H124-W129 PolarHBondContact CE1-O 3.43Å; H124-W129 PolarHBondContact NE2-O 2.94Å; H124-L147 CarbonylContact C-O 3.52Å; H124-L147 WeakPolarHBondContact CA-O 3.38Å; H124-L148 HydrophobicContact CB-CB 4.03Å; H124-L148 HydrophobicContact CB-CD2 3.94Å; H124-L148 HydrophobicContact CB-CG 3.7Å |
| 125 | T | 91.7 | Very high | 89 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | trans | -110.6 | 10.3 | 172.1 | 71 | 0 | 0 | 0 | 0 | 113.5 | T107 N127 A146 L147 T293 S294 I307 | T107-T125 WeakPolarHBondContact CG2-O 3.3Å; T125-N127 PolarHBondContact O-N 2.96Å; T125-A146 WeakPolarHBondContact OG1-CA 3.27Å; T125-L147 PolarHBondContact N-O 2.85Å; T125-L147 PolarHBondContact OG1-N 3.21Å; T125-T293 WeakPolarHBondContact CB-O 3.42Å; T125-T293 WeakPolarHBondContact O-CB 3.23Å; T125-T293 PolarHBondContact O-OG1 3.19Å; T125-T293 PolarHBondContact OG1-OG1 3.48Å; T125-T293 VanDerWaalsContact OG1-OG1 3.11Å; T125-S294 WeakPolarHBondContact OG1-CA 3.08Å; T125-S294 PolarHBondContact OG1-N 2.9Å; T125-I307 HydrophobicContact CG2-CD1 4.23Å | ||
| 126 | V | 90.4 | Very high | 89.2 | Confident | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.03 | 21% | 0.212 | C | C | . | . | trans | -64.1 | 127.4 | 176.1 | -170.8 | 0 | 0 | 0 | 0 | 110.2 | H124 W129 P140 A146 L148 | H124-V126 HydrophobicContact CB-CG2 4.31Å; H124-V126 PolarHBondContact ND1-N 3.36Å; H124-V126 PolarHBondContact ND1-O 2.9Å; V126-W129 HydrophobicContact CB-CB 4.16Å; V126-W129 HydrophobicContact CB-CE3 4.11Å; V126-W129 HydrophobicContact CG1-CB 3.55Å; V126-W129 HydrophobicContact CG1-CD2 4.35Å; V126-W129 HydrophobicContact CG1-CE3 4.4Å; V126-W129 HydrophobicContact CG1-CG 4.04Å; V126-W129 HydrophobicContact CG2-CE3 4.23Å; V126-P140 HydrophobicContact CG1-CB 3.72Å; V126-P140 HydrophobicContact CG1-CG 4.38Å; V126-P140 HydrophobicContact CG2-CB 4.42Å; V126-A146 HydrophobicContact CB-CB 4.38Å; V126-A146 HydrophobicContact CG2-CB 3.66Å; V126-L148 HydrophobicContact CG2-CD1 4.23Å; V126-L148 HydrophobicContact CG2-CD2 4.03Å; V126-L148 HydrophobicContact CG2-CG 4.11Å | ||
| 127 | N | 85.3 | Confident | 89.6 | Confident | 54 Ų | 54 | 36.9 Ų | 36.9 | 29% | 0.289 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 137.1 | 175.3 | -71 | -27.5 | 0 | 0 | 0 | 110.6 | T107 T125 W129 | T107-N127 VanDerWaalsContact CG2-OD1 3.25Å; T107-N127 WeakPolarHBondContact CG2-OD1 3.22Å; T125-N127 PolarHBondContact O-N 2.96Å; N127-W129 VanDerWaalsContact C-N 3.25Å; N127-W129 PolarHBondContact O-N 2.9Å |
| 128 | K | 82 | Confident | 89.7 | Confident | 137 Ų | 137 | 40.1 Ų | 40.1 | 60% | 0.596 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 33.7 | 171.1 | -55.6 | 179.2 | -177.6 | 175.7 | 0 | 114.6 | I108 | I108-K128 VanDerWaalsContact CD1-CA 3.45Š|
| 129 | W | 88.4 | Confident | 89.7 | Confident | 5 Ų | 5 | 41.1 Ų | 41.1 | 2% | 0.019 | 21% | 0.207 | C | C | . | . | trans | -146.4 | 152 | -179.6 | -177.5 | 91 | 0 | 0 | 0 | 110.4 | V78 I82 I108 L122 H124 V126 N127 E138 P140 L148 | V78-W129 HydrophobicContact CG1-CH2 3.62Å; V78-W129 HydrophobicContact CG1-CZ2 3.92Å; I82-W129 HydrophobicContact CD1-CH2 3.16Å; I82-W129 HydrophobicContact CD1-CZ2 2.99Å; I82-W129 HydrophobicContact CD1-CZ3 4.13Å; I82-W129 HydrophobicContact CG1-CZ2 4.49Å; I108-W129 VanDerWaalsContact CB-O 3.26Å; I108-W129 WeakPolarHBondContact CB-O 3.41Å; I108-W129 WeakPolarHBondContact CG2-O 2.88Å; L122-W129 HydrophobicContact CD2-CH2 3.77Å; L122-W129 HydrophobicContact CD2-CZ3 3.71Å; H124-W129 AromaticContact CD2-CZ3 3.96Å; H124-W129 PolarHBondContact CE1-O 3.43Å; H124-W129 PolarHBondContact NE2-O 2.94Å; V126-W129 HydrophobicContact CB-CB 4.16Å; V126-W129 HydrophobicContact CB-CE3 4.11Å; V126-W129 HydrophobicContact CG1-CB 3.55Å; V126-W129 HydrophobicContact CG1-CD2 4.35Å; V126-W129 HydrophobicContact CG1-CE3 4.4Å; V126-W129 HydrophobicContact CG1-CG 4.04Å; V126-W129 HydrophobicContact CG2-CE3 4.23Å; N127-W129 VanDerWaalsContact C-N 3.25Å; N127-W129 PolarHBondContact O-N 2.9Å; W129-E138 VanDerWaalsContact CD1-O 3.25Å; W129-E138 PolarHBondContact NE1-O 3.39Å; W129-P140 HydrophobicContact CD2-CG 3.99Å; W129-P140 HydrophobicContact CG-CG 4.28Å; W129-P140 HydrophobicContact CH2-CG 4.47Å; W129-P140 HydrophobicContact CZ2-CG 3.86Å; W129-L148 HydrophobicContact CH2-CD2 3.95Å; W129-L148 HydrophobicContact CZ3-CD2 3.72Å | ||
| 130 | P | 89.1 | Confident | 89.6 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | cis | -76 | 144 | -8.6 | 31.8 | -34.6 | 0 | 0 | 0 | 111.8 | I82 F132 Y173 | I82-P130 HydrophobicContact CD1-CB 4.02Å; I82-P130 HydrophobicContact CG2-CB 4.14Å; P130-F132 HydrophobicContact CB-CE2 4.33Å; P130-F132 HydrophobicContact CB-CZ 4.28Å; P130-F132 HydrophobicContact CG-CD2 4.27Å; P130-F132 HydrophobicContact CG-CE1 4.5Å; P130-F132 HydrophobicContact CG-CE2 3.56Å; P130-F132 HydrophobicContact CG-CZ 3.7Å; P130-Y173 WeakPolarHBondContact CD-OH 3.46Å; P130-Y173 PolarHBondContact O-OH 2.7Å | ||
| 131 | D | 86.2 | Confident | 89.4 | Confident | 55 Ų | 55 | 43.6 Ų | 43.6 | 29% | 0.294 | 22% | 0.224 | S | C | . | . | trans | -92.1 | 100.3 | 170.5 | -172.3 | -0.5 | 0 | 0 | 0 | 110.1 | Y133 S134 | D131-Y133 VanDerWaalsContact C-N 3.26Å; D131-Y133 WeakPolarHBondContact OD1-CA 3.36Å; D131-Y133 WeakPolarHBondContact OD1-CB 3.23Å; D131-Y133 PolarHBondContact OD1-N 2.8Å; D131-S134 PolarHBondContact OD1-N 3.25Å | ||
| 132 | F | 84.8 | Confident | 89.2 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -77.6 | -10.1 | 175.7 | -68.3 | -66.3 | 0 | 0 | 0 | 113.4 | I82 V85 R86 M89 A96 A111 W120 P130 Y173 Q174 | I82-F132 HydrophobicContact CG2-CE1 4.01Å; V85-F132 HydrophobicContact CG1-CE1 4.16Å; R86-F132 HydrophobicContact CB-CD1 4.21Å; M89-F132 HydrophobicContact SD-CB 3.91Å; A96-F132 HydrophobicContact CB-CD2 4.08Å; A96-F132 HydrophobicContact CB-CE2 3.77Å; A111-F132 HydrophobicContact CB-CE2 4.21Å; A111-F132 HydrophobicContact CB-CZ 4.32Å; W120-F132 HydrophobicContact CH2-CZ 4.46Å; P130-F132 HydrophobicContact CB-CE2 4.33Å; P130-F132 HydrophobicContact CB-CZ 4.28Å; P130-F132 HydrophobicContact CG-CD2 4.27Å; P130-F132 HydrophobicContact CG-CE1 4.5Å; P130-F132 HydrophobicContact CG-CE2 3.56Å; P130-F132 HydrophobicContact CG-CZ 3.7Å; F132-Y173 HydrophobicContact CD2-CE2 4.2Å; F132-Q174 HydrophobicContact CB-CG 4.18Å; F132-Q174 HydrophobicContact CD2-CB 4.27Å; F132-Q174 HydrophobicContact CD2-CG 4.17Å; F132-Q174 HydrophobicContact CG-CG 4.43Å |
| 133 | Y | 82.5 | Confident | 89.1 | Confident | 144 Ų | 144 | 51.1 Ų | 51.1 | 57% | 0.565 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -88.4 | -18 | 178.1 | -64 | -67.6 | 0 | 0 | 0 | 113.3 | D131 Y173 Q174 | D131-Y133 VanDerWaalsContact C-N 3.26Å; D131-Y133 WeakPolarHBondContact OD1-CA 3.36Å; D131-Y133 WeakPolarHBondContact OD1-CB 3.23Å; D131-Y133 PolarHBondContact OD1-N 2.8Å; Y133-Y173 HydrophobicContact CE2-CD2 4.42Å; Y133-Y173 WeakPolarHBondContact CE2-O 3.48Å; Y133-Y173 PolarHBondContact OH-O 2.54Å; Y133-Q174 PolarHBondContact OH-OE1 3.25Å |
| 134 | S | 85.9 | Confident | 89.1 | Confident | 17 Ų | 17 | 52.6 Ų | 52.6 | 12% | 0.119 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -63.8 | 143.9 | 178.8 | -169.6 | 0 | 0 | 0 | 0 | 111.2 | R86 D131 K136 E138 | R86-S134 PolarHBondContact NH1-O 3.43Å; D131-S134 PolarHBondContact OD1-N 3.25Å; S134-K136 WeakPolarHBondContact CB-O 3.29Å; S134-K136 PolarHBondContact O-N 2.95Å; S134-K136 PolarHBondContact OG-O 2.87Å; S134-E138 WeakPolarHBondContact CB-OE1 3.25Å; S134-E138 PolarHBondContact OG-OE1 3.28Å |
| 135 | S | 87.2 | Confident | 89.2 | Confident | 113 Ų | 113 | 52.5 Ų | 52.5 | 79% | 0.79 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -68.1 | -15.9 | -179.6 | 59.3 | 0 | 0 | 0 | 0 | 113 | R86 | R86-S135 PolarHBondContact NH1-O 2.84Š|
| 136 | K | 91.6 | Very high | 89.3 | Confident | 142 Ų | 142 | 52.3 Ų | 52.3 | 62% | 0.617 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -137.7 | 163.3 | 175.8 | 60.5 | -179.8 | -179.6 | 177.1 | 0 | 110.7 | R86 S134 E138 | R86-K136 VanDerWaalsContact CZ-C 3.42Å; R86-K136 VanDerWaalsContact CZ-CA 3.43Å; S134-K136 WeakPolarHBondContact CB-O 3.29Å; S134-K136 PolarHBondContact O-N 2.95Å; S134-K136 PolarHBondContact OG-O 2.87Å; K136-E138 PolarHBondContact O-N 3.45Å |
| 137 | Y | 91.4 | Very high | 89.5 | Confident | 20 Ų | 20 | 52 Ų | 52 | 8% | 0.078 | 27% | 0.272 | C | S | . | . | trans | -55.4 | 130.1 | 168.9 | 174.6 | -109.2 | 0 | 0 | 0 | 110.7 | L71 I82 E83 P139 | L71-Y137 WeakPolarHBondContact O-CE1 3.26Å; L71-Y137 PolarHBondContact O-OH 3.48Å; I82-Y137 HydrophobicContact CB-CD2 4.28Å; I82-Y137 HydrophobicContact CB-CE2 4.08Å; I82-Y137 HydrophobicContact CD1-CE2 4.41Å; I82-Y137 HydrophobicContact CG2-CD2 3.97Å; I82-Y137 HydrophobicContact CG2-CE2 4.06Å; E83-Y137 WeakPolarHBondContact OE2-CB 3.41Å; E83-Y137 PolarHBondContact OE2-N 2.83Å; Y137-P139 HydrophobicContact CE1-CB 4Å | ||
| 138 | E | 91.2 | Very high | 90 | Very high | 81 Ų | 81 | 49.5 Ų | 49.5 | 38% | 0.379 | 26% | 0.258 | S | S | . | . | trans | -113.1 | 119.5 | 171.2 | -68 | -170.2 | -173.3 | 0 | 0 | 109.4 | W129 S134 K136 | W129-E138 VanDerWaalsContact CD1-O 3.25Å; W129-E138 PolarHBondContact NE1-O 3.39Å; S134-E138 WeakPolarHBondContact CB-OE1 3.25Å; S134-E138 PolarHBondContact OG-OE1 3.28Å; K136-E138 PolarHBondContact O-N 3.45Å | ||
| 139 | P | 92 | Very high | 90.7 | Very high | 52 Ų | 52 | 43 Ų | 43 | 34% | 0.338 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -68.2 | 161.3 | 175.4 | 30 | -35 | 0 | 0 | 0 | 111.2 | L71 Y137 S141 | L71-P139 WeakPolarHBondContact O-CB 3.23Å; Y137-P139 HydrophobicContact CE1-CB 4Å; P139-S141 PolarHBondContact O-N 3.18Å |
| 140 | P | 91.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -49.6 | 140.2 | 168 | -30.3 | 38.9 | 0 | 0 | 0 | 111.7 | K45 L71 V126 W129 S142 | K45-P140 HydrophobicContact CD-CB 3.67Å; K45-P140 HydrophobicContact CD-CG 4.42Å; L71-P140 HydrophobicContact CB-CG 4.34Å; L71-P140 HydrophobicContact CD1-CG 3.96Å; V126-P140 HydrophobicContact CG1-CB 3.72Å; V126-P140 HydrophobicContact CG1-CG 4.38Å; V126-P140 HydrophobicContact CG2-CB 4.42Å; W129-P140 HydrophobicContact CD2-CG 3.99Å; W129-P140 HydrophobicContact CG-CG 4.28Å; W129-P140 HydrophobicContact CH2-CG 4.47Å; W129-P140 HydrophobicContact CZ2-CG 3.86Å; P140-S142 PolarHBondContact O-N 2.63Å |
| 141 | S | 90.2 | Very high | 91.4 | Very high | 56 Ų | 56 | 42.7 Ų | 42.7 | 39% | 0.392 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -52.6 | 138.7 | 172.4 | 173.8 | 0 | 0 | 0 | 0 | 110.4 | K45 P139 D143 | K45-S141 WeakPolarHBondContact CE-O 3.3Å; K45-S141 PolarHBondContact NZ-O 3.37Å; P139-S141 PolarHBondContact O-N 3.18Å; S141-D143 PolarHBondContact O-N 3.45Å; S141-D143 PolarHBondContact OG-N 3.12Å; S141-D143 PolarHBondContact OG-OD2 2.73Å |
| 142 | S | 91.2 | Very high | 91.8 | Very high | 52 Ų | 52 | 40.2 Ų | 40.2 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -68.1 | -22.3 | 177.4 | 53.6 | 0 | 0 | 0 | 0 | 112.5 | K45 S48 S49 P140 M144 | K45-S142 PolarHBondContact NZ-O 2.84Å; S48-S142 CarbonylContact C-O 3.6Å; S48-S142 WeakPolarHBondContact CA-O 3.38Å; S48-S142 PolarHBondContact N-O 2.91Å; S49-S142 PolarHBondContact N-O 2.88Å; S49-S142 WeakPolarHBondContact O-CA 3.49Å; P140-S142 PolarHBondContact O-N 2.63Å; S142-M144 PolarHBondContact O-N 2.77Å |
| 143 | D | 91.4 | Very high | 92.3 | Very high | 107 Ų | 107 | 40.1 Ų | 40.1 | 57% | 0.572 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -55.7 | -51.5 | -165.5 | -58.6 | -34.7 | 0 | 0 | 0 | 114 | S48 S141 | S48-D143 PolarHBondContact N-O 3.34Å; S141-D143 PolarHBondContact O-N 3.45Å; S141-D143 PolarHBondContact OG-N 3.12Å; S141-D143 PolarHBondContact OG-OD2 2.73Å |
| 144 | M | 93.1 | Very high | 92.9 | Very high | 53 Ų | 53 | 33.6 Ų | 33.6 | 26% | 0.261 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -115.3 | 145.3 | -168.3 | -54.6 | -69.9 | -86 | 0 | 0 | 111.1 | K45 S142 E290 T293 | K45-M144 WeakPolarHBondContact CE-O 3.01Å; K45-M144 PolarHBondContact NZ-O 3.4Å; S142-M144 PolarHBondContact O-N 2.77Å; M144-E290 VanDerWaalsContact CE-O 3.23Å; M144-E290 WeakPolarHBondContact CE-O 3.38Å; M144-T293 HydrophobicContact CB-CG2 3.75Å; M144-T293 HydrophobicContact CE-CG2 4.19Å; M144-T293 HydrophobicContact CG-CG2 4.1Å |
| 145 | A | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -63.3 | 150.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y44 K45 P47 I287 S291 D292 T293 | Y44-A145 HydrophobicContact CE1-CB 4.2Å; K45-A145 WeakPolarHBondContact O-CA 3.44Å; K45-A145 VanDerWaalsContact O-CB 3.23Å; K45-A145 WeakPolarHBondContact O-CB 3.28Å; P47-A145 HydrophobicContact CB-CB 4.2Å; P47-A145 HydrophobicContact CG-CB 4.46Å; A145-I287 HydrophobicContact CB-CD1 3.86Å; A145-I287 HydrophobicContact CB-CG2 3.65Å; A145-S291 WeakPolarHBondContact CB-O 3.4Å; A145-S291 PolarHBondContact N-O 3.28Å; A145-D292 HydrophobicContact CB-CB 4.23Å; A145-T293 PolarHBondContact O-N 2.96Å; A145-T293 PolarHBondContact O-OG1 3.08Å |
| 146 | A | 94.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 153.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y44 K45 T125 V126 T293 | Y44-A146 CarbonylContact C-O 3.56Å; Y44-A146 WeakPolarHBondContact CA-O 3.44Å; K45-A146 HydrophobicContact CB-CB 4.35Å; K45-A146 PolarHBondContact N-O 2.68Å; K45-A146 PolarHBondContact O-N 2.7Å; T125-A146 WeakPolarHBondContact OG1-CA 3.27Å; V126-A146 HydrophobicContact CB-CB 4.38Å; V126-A146 HydrophobicContact CG2-CB 3.66Å; A146-T293 WeakPolarHBondContact CA-OG1 3.2Å; A146-T293 VanDerWaalsContact CB-OG1 3.3Å; A146-T293 WeakPolarHBondContact CB-OG1 3.17Å |
| 147 | L | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 136.6 | 175.7 | -174.4 | 70.9 | 0 | 0 | 0 | 109 | I42 L43 Y44 H124 T125 W296 F305 I307 F335 | I42-L147 HydrophobicContact CG2-CD1 3.5Å; I42-L147 VanDerWaalsContact CG2-CD1 3.5Å; L43-L147 CarbonylContact O-C 3.49Å; L43-L147 WeakPolarHBondContact O-CA 3.17Å; Y44-L147 HydrophobicContact CD2-CD1 3.67Å; Y44-L147 HydrophobicContact CE2-CD1 4.14Å; Y44-L147 HydrophobicContact CG-CD1 4.15Å; H124-L147 CarbonylContact C-O 3.52Å; H124-L147 WeakPolarHBondContact CA-O 3.38Å; T125-L147 PolarHBondContact N-O 2.85Å; T125-L147 PolarHBondContact OG1-N 3.21Å; L147-W296 HydrophobicContact CD2-CB 4.12Å; L147-W296 HydrophobicContact CD2-CG 4.49Å; L147-F305 HydrophobicContact CD2-CZ 3.76Å; L147-I307 HydrophobicContact CB-CD1 4.14Å; L147-I307 HydrophobicContact CD2-CB 3.94Å; L147-I307 HydrophobicContact CD2-CD1 3.67Å; L147-I307 HydrophobicContact CD2-CG1 3.69Å; L147-I307 HydrophobicContact CG-CD1 3.83Å; L147-I307 HydrophobicContact CG-CG1 4.41Å; L147-F335 HydrophobicContact CD1-CE1 4.46Å; L147-F335 HydrophobicContact CD1-CZ 3.91Å |
| 148 | L | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 141.8 | 172.8 | -47.5 | 87.7 | 0 | 0 | 0 | 109 | I42 L43 K45 L122 T123 H124 V126 W129 | I42-L148 CarbonylContact C-O 3.59Å; I42-L148 VanDerWaalsContact CA-O 3.3Å; I42-L148 WeakPolarHBondContact CA-O 3.14Å; L43-L148 HydrophobicContact CB-CB 4.16Å; L43-L148 HydrophobicContact CB-CD1 3.86Å; L43-L148 PolarHBondContact N-O 2.65Å; L43-L148 PolarHBondContact O-N 2.86Å; K45-L148 HydrophobicContact CB-CD1 4.41Å; L122-L148 HydrophobicContact CD1-CB 4.28Å; L122-L148 HydrophobicContact CD1-CD2 4.4Å; T123-L148 CarbonylContact O-C 3.59Å; T123-L148 WeakPolarHBondContact O-CA 3.2Å; H124-L148 HydrophobicContact CB-CB 4.03Å; H124-L148 HydrophobicContact CB-CD2 3.94Å; H124-L148 HydrophobicContact CB-CG 3.7Å; V126-L148 HydrophobicContact CG2-CD1 4.23Å; V126-L148 HydrophobicContact CG2-CD2 4.03Å; V126-L148 HydrophobicContact CG2-CG 4.11Å; W129-L148 HydrophobicContact CH2-CD2 3.95Å; W129-L148 HydrophobicContact CZ3-CD2 3.72Å |
| 149 | V | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 120.2 | 173 | -177.7 | 0 | 0 | 0 | 0 | 107.3 | G41 I42 L122 T123 I151 F305 I307 L324 F326 | G41-V149 CarbonylContact O-C 3.45Å; G41-V149 WeakPolarHBondContact O-CA 3.27Å; I42-V149 HydrophobicContact CG1-CG2 4.17Å; L122-V149 CarbonylContact C-O 3.57Å; T123-V149 PolarHBondContact N-O 2.97Å; T123-V149 PolarHBondContact O-N 3.09Å; V149-I151 HydrophobicContact CG1-CG1 4.36Å; V149-F305 HydrophobicContact CG2-CE1 4.44Å; V149-I307 HydrophobicContact CB-CG2 4.32Å; V149-I307 HydrophobicContact CG2-CB 4.06Å; V149-I307 HydrophobicContact CG2-CD1 3.95Å; V149-I307 HydrophobicContact CG2-CG2 3.72Å; V149-L324 HydrophobicContact CB-CD2 4.48Å; V149-L324 HydrophobicContact CG1-CD2 4.17Å; V149-F326 HydrophobicContact CG1-CE1 4.49Å |
| 150 | C | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 140.5 | 170 | -171.7 | 0 | 0 | 0 | 0 | 110.2 | C23 F25 W40 G41 L121 L122 | C23-C150 HydrophobicContact CB-CB 3.83Å; C23-C150 WeakPolarHBondContact CB-SG 3.25Å; C23-C150 WeakPolarHBondContact SG-CB 3.15Å; C23-C150 CovalentContact SG-SG 2.03Å; C23-C150 PolarHBondContact SG-SG 3.29Å; F25-C150 HydrophobicContact CE1-CB 4.08Å; F25-C150 HydrophobicContact CE2-CB 3.41Å; F25-C150 VanDerWaalsContact CE2-CB 3.41Å; F25-C150 HydrophobicContact CZ-CB 3.11Å; W40-C150 CarbonylContact C-O 3.55Å; W40-C150 WeakPolarHBondContact CA-O 3.35Å; W40-C150 WeakPolarHBondContact CB-O 3.39Å; G41-C150 PolarHBondContact N-O 2.74Å; G41-C150 PolarHBondContact O-N 3.12Å; L121-C150 CarbonylContact O-C 3.52Å; L121-C150 VanDerWaalsContact O-CA 3.26Å; L121-C150 WeakPolarHBondContact O-CA 3.22Å; L122-C150 HydrophobicContact CD1-CB 3.98Å |
| 151 | I | 96 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 127.1 | 173 | -53.1 | 167.8 | 0 | 0 | 0 | 108.3 | C23 W120 L121 V149 I153 F210 F221 L324 | C23-I151 VanDerWaalsContact SG-CA 3.58Å; C23-I151 PolarHBondContact SG-N 3.42Å; W120-I151 WeakPolarHBondContact CA-O 3.48Å; L121-I151 HydrophobicContact CB-CB 4.43Å; L121-I151 HydrophobicContact CD2-CD1 4.37Å; L121-I151 PolarHBondContact N-O 3.28Å; L121-I151 PolarHBondContact O-N 2.96Å; V149-I151 HydrophobicContact CG1-CG1 4.36Å; I151-I153 PolarHBondContact O-N 2.69Å; I151-F210 HydrophobicContact CD1-CE2 3.96Å; I151-F210 HydrophobicContact CD1-CZ 3.72Å; I151-F210 HydrophobicContact CG2-CE2 4.18Å; I151-F221 HydrophobicContact CB-CE2 4.49Å; I151-F221 HydrophobicContact CB-CZ 4.48Å; I151-F221 HydrophobicContact CD1-CB 4.41Å; I151-F221 HydrophobicContact CD1-CD1 3.37Å; I151-F221 HydrophobicContact CD1-CD2 3.89Å; I151-F221 HydrophobicContact CD1-CE1 3.42Å; I151-F221 VanDerWaalsContact CD1-CE1 3.42Å; I151-F221 HydrophobicContact CD1-CE2 3.96Å; I151-F221 HydrophobicContact CD1-CG 3.61Å; I151-F221 HydrophobicContact CD1-CZ 3.72Å; I151-F221 HydrophobicContact CG1-CD1 4.18Å; I151-F221 HydrophobicContact CG1-CD2 4.41Å; I151-F221 HydrophobicContact CG1-CE1 3.7Å; I151-F221 HydrophobicContact CG1-CE2 3.99Å; I151-F221 HydrophobicContact CG1-CZ 3.6Å; I151-F221 HydrophobicContact CG2-CD2 4.07Å; I151-F221 HydrophobicContact CG2-CE2 3.69Å; I151-F221 HydrophobicContact CG2-CZ 4.13Å; I151-L324 HydrophobicContact CD1-CD1 3.99Å; I151-L324 HydrophobicContact CD1-CD2 3.82Å; I151-L324 HydrophobicContact CD1-CG 4.44Å |
| 152 | T | 95.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 3% | 0.025 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 105.2 | 165.2 | -59.1 | 0 | 0 | 0 | 0 | 106.3 | V22 C23 T38 D39 N118 G119 S212 A213 | V22-T152 HydrophobicContact CB-CG2 3.93Å; V22-T152 HydrophobicContact CG1-CG2 3.69Å; C23-T152 PolarHBondContact N-OG1 2.94Å; C23-T152 PolarHBondContact SG-N 2.65Å; T38-T152 PolarHBondContact O-OG1 3.05Å; D39-T152 WeakPolarHBondContact O-CB 3.41Å; D39-T152 PolarHBondContact O-N 3.47Å; N118-T152 HydrophobicContact CB-CG2 4.15Å; G119-T152 CarbonylContact O-C 3.57Å; G119-T152 WeakPolarHBondContact O-CA 3.14Å; T152-S212 CarbonylContact O-C 3.5Å; T152-S212 WeakPolarHBondContact O-CA 3.18Å; T152-A213 HydrophobicContact CG2-CB 3.62Å; T152-A213 PolarHBondContact O-N 3.43Å |
| 153 | I | 95.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 126.3 | -172.1 | -172.5 | 167.4 | 0 | 0 | 0 | 109.7 | L112 G119 L121 I151 E157 L158 W161 F210 | L112-I153 HydrophobicContact CD1-CG2 3.78Å; G119-I153 PolarHBondContact N-O 2.95Å; G119-I153 PolarHBondContact O-N 2.74Å; L121-I153 HydrophobicContact CB-CB 4.41Å; L121-I153 HydrophobicContact CB-CG2 4.04Å; L121-I153 HydrophobicContact CD2-CD1 4.37Å; I151-I153 PolarHBondContact O-N 2.69Å; I153-E157 HydrophobicContact CD1-CB 4.18Å; I153-E157 HydrophobicContact CG1-CB 3.93Å; I153-L158 HydrophobicContact CD1-CD2 4.15Å; I153-L158 HydrophobicContact CG1-CD2 4.27Å; I153-L158 HydrophobicContact CG2-CD2 3.96Å; I153-W161 HydrophobicContact CD1-CB 4.11Å; I153-W161 HydrophobicContact CD1-CG 4.42Å; I153-F210 HydrophobicContact CD1-CD2 4.04Å; I153-F210 HydrophobicContact CD1-CE2 3.96Å; I153-F210 HydrophobicContact CG1-CD2 4.29Å; I153-F210 HydrophobicContact CG1-CE2 4.36Å |
| 154 | P | 94.7 | Very high | 94.5 | Very high | 7 Ų | 7 | 21.5 Ų | 21.5 | 5% | 0.045 | 11% | 0.112 | C | C | . | . | trans | -76.9 | 151.4 | 177.7 | 34.1 | -35.7 | 0 | 0 | 0 | 111.6 | N118 E156 E157 K211 A213 | N118-P154 WeakPolarHBondContact OD1-CA 3.26Å; N118-P154 WeakPolarHBondContact OD1-CB 3.42Å; P154-E156 HydrophobicContact CB-CG 4.42Å; P154-E156 HydrophobicContact CG-CG 4.43Å; P154-E156 PolarHBondContact O-N 3.38Å; P154-E156 VanDerWaalsContact O-N 3.16Å; P154-E157 HydrophobicContact CG-CB 4.28Å; P154-E157 HydrophobicContact CG-CG 3.69Å; P154-E157 PolarHBondContact O-N 3.06Å; P154-K211 WeakPolarHBondContact CD-O 3.49Å; P154-A213 HydrophobicContact CB-CB 4.29Å | ||
| 155 | K | 93 | Very high | 94.3 | Very high | 54 Ų | 54 | 19 Ų | 19 | 24% | 0.235 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -57.6 | -34.4 | -170.9 | -170.1 | 166.5 | 178 | 162.6 | 0 | 112.4 | D116 E157 L158 D181 | D116-K155 IonicContact OD1-NZ 3.74Å; K155-E157 PolarHBondContact O-N 2.96Å; K155-L158 HydrophobicContact CG-CD1 4.07Å; K155-L158 WeakPolarHBondContact O-CB 3.38Å; K155-L158 VanDerWaalsContact O-CG 3.28Å; K155-L158 WeakPolarHBondContact O-CG 3.42Å; K155-L158 PolarHBondContact O-N 2.04Å; K155-D181 IonicContact NZ-OD1 2.98Å; K155-D181 PolarHBondContact NZ-OD1 2.77Å; K155-D181 IonicContact NZ-OD2 3.07Å; K155-D181 PolarHBondContact NZ-OD2 3.36Å |
| 156 | E | 93.7 | Very high | 94 | Very high | 148 Ų | 148 | 19.5 Ų | 19.5 | 69% | 0.692 | 10% | 0.102 | S | C | * | . | G | 310 helix | trans | -64.6 | -23.2 | 177.7 | 59.9 | -92.5 | -147.5 | 0 | 0 | 114.1 | P154 | P154-E156 HydrophobicContact CB-CG 4.42Å; P154-E156 HydrophobicContact CG-CG 4.43Å; P154-E156 PolarHBondContact O-N 3.38Å; P154-E156 VanDerWaalsContact O-N 3.16Å |
| 157 | E | 96 | Very high | 93.7 | Very high | 35 Ų | 35 | 20.3 Ų | 20.3 | 16% | 0.164 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -89.1 | -10.1 | -179.4 | -64.9 | -71.1 | -162.7 | 0 | 0 | 112.9 | I153 P154 K155 S159 S160 W161 F210 K211 | I153-E157 HydrophobicContact CD1-CB 4.18Å; I153-E157 HydrophobicContact CG1-CB 3.93Å; P154-E157 HydrophobicContact CG-CB 4.28Å; P154-E157 HydrophobicContact CG-CG 3.69Å; P154-E157 PolarHBondContact O-N 3.06Å; K155-E157 PolarHBondContact O-N 2.96Å; E157-S159 VanDerWaalsContact C-N 3.26Å; E157-S159 PolarHBondContact O-N 2.8Å; E157-S160 WeakPolarHBondContact O-CB 3.42Å; E157-S160 PolarHBondContact O-N 3.23Å; E157-W161 PolarHBondContact O-N 3.32Å; E157-F210 HydrophobicContact CB-CB 3.91Å; E157-F210 HydrophobicContact CB-CD2 4.44Å; E157-F210 HydrophobicContact CG-CB 3.87Å; E157-F210 WeakPolarHBondContact OE1-CA 3.1Å; E157-F210 WeakPolarHBondContact OE2-CB 3.08Å; E157-K211 PolarHBondContact OE1-N 2.88Å |
| 158 | L | 95 | Very high | 93.4 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.8 | -34.1 | -176.6 | -60.7 | -178.3 | 0 | 0 | 0 | 112.6 | L112 Y114 I153 K155 W161 G162 I187 L190 | L112-L158 HydrophobicContact CD1-CD2 3.68Å; L112-L158 HydrophobicContact CD2-CD2 3.9Å; L112-L158 HydrophobicContact CG-CD2 4.4Å; Y114-L158 HydrophobicContact CD1-CD1 3.96Å; Y114-L158 HydrophobicContact CD2-CD1 3.77Å; Y114-L158 HydrophobicContact CE1-CD1 3.86Å; Y114-L158 HydrophobicContact CE2-CD1 3.67Å; Y114-L158 HydrophobicContact CG-CD1 3.91Å; I153-L158 HydrophobicContact CD1-CD2 4.15Å; I153-L158 HydrophobicContact CG1-CD2 4.27Å; I153-L158 HydrophobicContact CG2-CD2 3.96Å; K155-L158 HydrophobicContact CG-CD1 4.07Å; K155-L158 WeakPolarHBondContact O-CB 3.38Å; K155-L158 VanDerWaalsContact O-CG 3.28Å; K155-L158 WeakPolarHBondContact O-CG 3.42Å; K155-L158 PolarHBondContact O-N 2.04Å; L158-W161 PolarHBondContact O-N 3.34Å; L158-G162 PolarHBondContact O-N 3.18Å; L158-I187 HydrophobicContact CB-CD1 4.37Å; L158-L190 HydrophobicContact CB-CD1 4.09Å; L158-L190 HydrophobicContact CD1-CD1 4.38Å |
| 159 | S | 94.5 | Very high | 92.7 | Very high | 61 Ų | 61 | 22.9 Ų | 22.9 | 43% | 0.427 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -63.6 | -46.4 | 177.8 | -176.4 | 0 | 0 | 0 | 0 | 111.7 | E157 G162 E163 S189 | E157-S159 VanDerWaalsContact C-N 3.26Å; E157-S159 PolarHBondContact O-N 2.8Å; S159-G162 PolarHBondContact O-N 2.98Å; S159-E163 PolarHBondContact O-N 2.93Å; S159-E163 VanDerWaalsContact O-N 3.14Å; S159-S189 WeakPolarHBondContact CA-OG 3.17Å; S159-S189 PolarHBondContact O-OG 2.86Å |
| 160 | S | 93.6 | Very high | 92.3 | Very high | 34 Ų | 34 | 23.9 Ų | 23.9 | 24% | 0.238 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.5 | -42.5 | 176.8 | -64 | 0 | 0 | 0 | 0 | 111.6 | E157 | E157-S160 WeakPolarHBondContact O-CB 3.42Å; E157-S160 PolarHBondContact O-N 3.23Å |
| 161 | W | 93.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.6 | -51 | 175.4 | 174.1 | 85.9 | 0 | 0 | 0 | 111.6 | I95 Y97 L112 L121 I153 E157 L158 E163 L164 M165 L190 L193 | I95-W161 HydrophobicContact CB-CH2 4.32Å; I95-W161 HydrophobicContact CD1-CZ3 4.41Å; I95-W161 HydrophobicContact CG2-CH2 4.18Å; Y97-W161 HydrophobicContact CE1-CH2 4.43Å; Y97-W161 AromaticContact CE1-CZ2 3.97Å; Y97-W161 HydrophobicContact CE1-CZ2 3.97Å; L112-W161 HydrophobicContact CB-CH2 3.49Å; L112-W161 VanDerWaalsContact CB-CH2 3.49Å; L112-W161 HydrophobicContact CB-CZ2 3.72Å; L112-W161 HydrophobicContact CB-CZ3 4.03Å; L112-W161 HydrophobicContact CD2-CD2 4.3Å; L112-W161 HydrophobicContact CD2-CE3 3.59Å; L112-W161 HydrophobicContact CD2-CH2 3.72Å; L112-W161 HydrophobicContact CD2-CZ2 4.39Å; L112-W161 HydrophobicContact CD2-CZ3 3.29Å; L112-W161 HydrophobicContact CG-CH2 4.22Å; L112-W161 HydrophobicContact CG-CZ3 4.26Å; L121-W161 HydrophobicContact CD1-CZ2 3.72Å; I153-W161 HydrophobicContact CD1-CB 4.11Å; I153-W161 HydrophobicContact CD1-CG 4.42Å; E157-W161 PolarHBondContact O-N 3.32Å; L158-W161 PolarHBondContact O-N 3.34Å; W161-E163 VanDerWaalsContact C-N 3.28Å; W161-E163 PolarHBondContact O-N 2.92Å; W161-L164 PolarHBondContact O-N 3.27Å; W161-M165 HydrophobicContact CD2-CG 3.67Å; W161-M165 HydrophobicContact CD2-SD 4.37Å; W161-M165 HydrophobicContact CE3-CG 4Å; W161-M165 HydrophobicContact CG-CG 4.33Å; W161-M165 HydrophobicContact CH2-CG 3.78Å; W161-M165 HydrophobicContact CZ2-CG 3.42Å; W161-M165 VanDerWaalsContact CZ2-CG 3.42Å; W161-M165 HydrophobicContact CZ2-SD 3.84Å; W161-M165 HydrophobicContact CZ3-CG 4.03Å; W161-M165 PolarHBondContact NE1-SD 2.82Å; W161-M165 VanDerWaalsContact NE1-SD 3.4Å; W161-M165 WeakPolarHBondContact O-CG 3.3Å; W161-M165 PolarHBondContact O-N 3.5Å; W161-M165 VanDerWaalsContact O-N 3.13Å; W161-L190 HydrophobicContact CE3-CD2 3.75Å; W161-L190 HydrophobicContact CZ3-CD2 3.75Å; W161-L193 HydrophobicContact CH2-CD1 4.32Å; W161-L193 HydrophobicContact CZ3-CD1 3.85Å |
| 162 | G | 92.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.9 | -38.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113 | L158 S159 L164 M165 D166 | L158-G162 PolarHBondContact O-N 3.18Å; S159-G162 PolarHBondContact O-N 2.98Å; G162-L164 PolarHBondContact O-N 2.88Å; G162-M165 PolarHBondContact O-N 2.88Å; G162-D166 PolarHBondContact O-N 2.88Å |
| 163 | E | 91.8 | Very high | 91 | Very high | 51 Ų | 51 | 31 Ų | 31 | 24% | 0.238 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.7 | -37 | 176.9 | -171.6 | -172.8 | -178.7 | 0 | 0 | 112 | S159 W161 Y167 K206 R208 | S159-E163 PolarHBondContact O-N 2.93Å; S159-E163 VanDerWaalsContact O-N 3.14Å; W161-E163 VanDerWaalsContact C-N 3.28Å; W161-E163 PolarHBondContact O-N 2.92Å; E163-Y167 WeakPolarHBondContact O-CD2 3.16Å; E163-K206 HydrophobicContact CG-CD 4.07Å; E163-K206 WeakPolarHBondContact OE1-CD 3.21Å; E163-K206 WeakPolarHBondContact OE1-CE 3.22Å; E163-K206 IonicContact OE1-NZ 2.81Å; E163-K206 PolarHBondContact OE1-NZ 3.12Å; E163-R208 VanDerWaalsContact CD-NH2 3.33Å; E163-R208 IonicContact OE1-CZ 2.68Å; E163-R208 IonicContact OE1-NH2 2.65Å; E163-R208 PolarHBondContact OE1-NH2 2.78Å; E163-R208 IonicContact OE2-CZ 2.7Å; E163-R208 VanDerWaalsContact OE2-CZ 3.3Å; E163-R208 IonicContact OE2-NE 3.12Å; E163-R208 PolarHBondContact OE2-NE 2.83Å; E163-R208 IonicContact OE2-NH2 3.28Å; E163-R208 PolarHBondContact OE2-NH2 3.15Å |
| 164 | L | 92.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -81.6 | -34.8 | -178.1 | -67.1 | -175.6 | 0 | 0 | 0 | 112.8 | W161 G162 D166 Y167 K206 R208 I223 S225 | W161-L164 PolarHBondContact O-N 3.27Å; G162-L164 PolarHBondContact O-N 2.88Å; L164-D166 VanDerWaalsContact C-N 3.26Å; L164-D166 PolarHBondContact O-N 2.99Å; L164-Y167 WeakPolarHBondContact O-CA 3.41Å; L164-Y167 WeakPolarHBondContact O-CB 3.23Å; L164-Y167 PolarHBondContact O-N 2.89Å; L164-K206 HydrophobicContact CD2-CB 3.45Å; L164-K206 VanDerWaalsContact CD2-CB 3.45Å; L164-R208 HydrophobicContact CD1-CB 3.69Å; L164-R208 HydrophobicContact CD1-CG 3.98Å; L164-R208 HydrophobicContact CD2-CG 4.04Å; L164-R208 HydrophobicContact CG-CB 4.25Å; L164-R208 HydrophobicContact CG-CG 3.98Å; L164-I223 HydrophobicContact CB-CG2 4.04Å; L164-I223 HydrophobicContact CD1-CB 3.4Å; L164-I223 HydrophobicContact CD1-CG2 3.61Å; L164-I223 WeakPolarHBondContact CD1-O 3.41Å; L164-I223 HydrophobicContact CG-CG2 4.45Å; L164-S225 WeakPolarHBondContact O-CB 3.45Å; L164-S225 PolarHBondContact O-OG 3.05Å; L164-S225 VanDerWaalsContact O-OG 3.06Å |
| 165 | M | 90.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.3 | -38.6 | 179.9 | -60.2 | -50.4 | 94.7 | 0 | 0 | 110.7 | Y97 W161 G162 Y167 Q168 P170 L193 I223 | Y97-M165 HydrophobicContact CE1-CB 4.21Å; Y97-M165 HydrophobicContact CE1-CG 3.86Å; Y97-M165 HydrophobicContact CE1-SD 3.54Å; Y97-M165 VanDerWaalsContact CE1-SD 3.54Å; Y97-M165 PolarHBondContact OH-SD 3.5Å; W161-M165 HydrophobicContact CD2-CG 3.67Å; W161-M165 HydrophobicContact CD2-SD 4.37Å; W161-M165 HydrophobicContact CE3-CG 4Å; W161-M165 HydrophobicContact CG-CG 4.33Å; W161-M165 HydrophobicContact CH2-CG 3.78Å; W161-M165 HydrophobicContact CZ2-CG 3.42Å; W161-M165 VanDerWaalsContact CZ2-CG 3.42Å; W161-M165 HydrophobicContact CZ2-SD 3.84Å; W161-M165 HydrophobicContact CZ3-CG 4.03Å; W161-M165 PolarHBondContact NE1-SD 2.82Å; W161-M165 VanDerWaalsContact NE1-SD 3.4Å; W161-M165 WeakPolarHBondContact O-CG 3.3Å; W161-M165 PolarHBondContact O-N 3.5Å; W161-M165 VanDerWaalsContact O-N 3.13Å; G162-M165 PolarHBondContact O-N 2.88Å; M165-Y167 PolarHBondContact O-N 2.91Å; M165-Q168 WeakPolarHBondContact O-CB 3.39Å; M165-Q168 PolarHBondContact O-N 3.32Å; M165-P170 WeakPolarHBondContact O-CD 3.24Å; M165-P170 VanDerWaalsContact O-CG 3.3Å; M165-P170 WeakPolarHBondContact O-CG 3.38Å; M165-L193 HydrophobicContact CB-CD1 3.98Å; M165-L193 HydrophobicContact CB-CD2 4.02Å; M165-I223 HydrophobicContact CE-CD1 3.83Å; M165-I223 HydrophobicContact CE-CG2 4.01Å |
| 166 | D | 87.4 | Confident | 90.7 | Very high | 9 Ų | 9 | 32.4 Ų | 32.4 | 5% | 0.048 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -57.2 | -25.7 | 174.5 | -170.6 | 38.9 | 0 | 0 | 0 | 111.7 | G162 L164 Q168 K192 L193 K200 | G162-D166 PolarHBondContact O-N 2.88Å; L164-D166 VanDerWaalsContact C-N 3.26Å; L164-D166 PolarHBondContact O-N 2.99Å; D166-Q168 VanDerWaalsContact C-N 3.32Å; D166-Q168 PolarHBondContact O-N 2.69Å; D166-K192 WeakPolarHBondContact OD2-CD 3.29Å; D166-K192 WeakPolarHBondContact OD2-CE 3.17Å; D166-K192 IonicContact OD2-NZ 3.27Å; D166-K192 PolarHBondContact OD2-NZ 3.02Å; D166-L193 HydrophobicContact CB-CD2 3.94Å; D166-K200 PolarHBondContact O-NZ 2.96Å; D166-K200 WeakPolarHBondContact OD1-CE 3.07Å; D166-K200 IonicContact OD1-NZ 3.37Å; D166-K200 PolarHBondContact OD1-NZ 3.01Å; D166-K200 WeakPolarHBondContact OD2-CE 3.31Å; D166-K200 IonicContact OD2-NZ 3.76Å |
| 167 | Y | 89.7 | Confident | 90.7 | Very high | 19 Ų | 19 | 29.5 Ų | 29.5 | 8% | 0.075 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -87.9 | 9.3 | 178.1 | -84.7 | -113.5 | 0 | 0 | 0 | 114.4 | E163 L164 M165 K200 P203 K206 K226 L227 | E163-Y167 WeakPolarHBondContact O-CD2 3.16Å; L164-Y167 WeakPolarHBondContact O-CA 3.41Å; L164-Y167 WeakPolarHBondContact O-CB 3.23Å; L164-Y167 PolarHBondContact O-N 2.89Å; M165-Y167 PolarHBondContact O-N 2.91Å; Y167-K200 HydrophobicContact CE2-CD 4.5Å; Y167-P203 VanDerWaalsContact CE1-O 3.27Å; Y167-P203 WeakPolarHBondContact CE1-O 3.3Å; Y167-K206 HydrophobicContact CD1-CB 4.13Å; Y167-K206 HydrophobicContact CD1-CD 4.13Å; Y167-K206 HydrophobicContact CD1-CG 3.81Å; Y167-K206 HydrophobicContact CD2-CD 3.83Å; Y167-K206 HydrophobicContact CD2-CG 4.39Å; Y167-K206 HydrophobicContact CE1-CB 4.46Å; Y167-K206 HydrophobicContact CE1-CD 3.85Å; Y167-K206 HydrophobicContact CE1-CG 3.65Å; Y167-K206 HydrophobicContact CE2-CD 3.59Å; Y167-K206 HydrophobicContact CE2-CG 4.31Å; Y167-K206 HydrophobicContact CG-CB 4.26Å; Y167-K206 HydrophobicContact CG-CD 4.11Å; Y167-K206 HydrophobicContact CG-CG 4.17Å; Y167-K206 VanDerWaalsContact OH-CE 3.24Å; Y167-K206 WeakPolarHBondContact OH-CE 3.44Å; Y167-K226 CarbonylContact O-C 3.53Å; Y167-K226 PolarHBondContact O-N 2.92Å; Y167-K226 VanDerWaalsContact O-O 3.06Å; Y167-L227 HydrophobicContact CD1-CD1 4.05Å; Y167-L227 HydrophobicContact CD1-CG 3.98Å; Y167-L227 HydrophobicContact CE1-CD1 4.06Å; Y167-L227 HydrophobicContact CE1-CG 4.49Å; Y167-L227 HydrophobicContact CG-CG 4.42Å; Y167-L227 PolarHBondContact O-N 3.38Å |
| 168 | Q | 88.1 | Confident | 90.5 | Very high | 9 Ų | 9 | 28 Ų | 28 | 4% | 0.042 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -108.1 | 8.4 | 176 | -55.8 | -173.4 | 29.6 | 0 | 0 | 113.1 | Y97 M165 D166 S225 N309 G320 | Y97-Q168 PolarHBondContact OH-OE1 3.33Å; M165-Q168 WeakPolarHBondContact O-CB 3.39Å; M165-Q168 PolarHBondContact O-N 3.32Å; D166-Q168 VanDerWaalsContact C-N 3.32Å; D166-Q168 PolarHBondContact O-N 2.69Å; Q168-S225 WeakPolarHBondContact CG-OG 3.47Å; Q168-S225 PolarHBondContact NE2-OG 2.65Å; Q168-N309 PolarHBondContact OE1-ND2 3.35Å; Q168-G320 WeakPolarHBondContact O-CA 3.5Å |
| 169 | D | 81.4 | Confident | 90.4 | Very high | 45 Ų | 45 | 31 Ų | 31 | 24% | 0.241 | 17% | 0.168 | C | C | . | . | trans | 48.7 | 54.8 | -170.5 | -63.5 | -44.7 | 0 | 0 | 0 | 112.8 | L227 N228 | D169-L227 VanDerWaalsContact OD1-CD2 3.26Å; D169-L227 WeakPolarHBondContact OD1-CD2 3.44Å; D169-N228 VanDerWaalsContact OD2-CB 3.28Å; D169-N228 WeakPolarHBondContact OD2-CB 3.41Å; D169-N228 PolarHBondContact OD2-N 3.14Å; D169-N228 PolarHBondContact OD2-OD1 2.99Å | ||
| 170 | P | 87 | Confident | 90.1 | Very high | 21 Ų | 21 | 35 Ų | 35 | 14% | 0.136 | 18% | 0.184 | C | C | . | . | trans | -74.8 | 135.3 | -170.9 | 34.5 | -36.9 | 0 | 0 | 0 | 111 | Y97 S98 M165 I172 L193 | Y97-P170 HydrophobicContact CD2-CB 3.29Å; Y97-P170 HydrophobicContact CE2-CB 3.95Å; Y97-P170 HydrophobicContact CG-CB 3.74Å; S98-P170 CarbonylContact O-C 3.57Å; M165-P170 WeakPolarHBondContact O-CD 3.24Å; M165-P170 VanDerWaalsContact O-CG 3.3Å; M165-P170 WeakPolarHBondContact O-CG 3.38Å; P170-I172 HydrophobicContact CB-CD1 3.95Å; P170-I172 HydrophobicContact CG-CD1 4.08Å; P170-L193 HydrophobicContact CG-CD2 4.16Å | ||
| 171 | F | 85.9 | Confident | 90 | Very high | 101 Ų | 101 | 33.8 Ų | 33.8 | 44% | 0.443 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 103.3 | 159.3 | -172.5 | -86.3 | 0 | 0 | 0 | 108.7 | Y97 S98 P101 Y173 | Y97-F171 CarbonylContact C-O 3.5Å; Y97-F171 VanDerWaalsContact CA-O 3.29Å; Y97-F171 WeakPolarHBondContact CA-O 3.44Å; Y97-F171 WeakPolarHBondContact CB-O 3.3Å; S98-F171 PolarHBondContact N-O 3.37Å; S98-F171 WeakPolarHBondContact O-CA 3.35Å; S98-F171 WeakPolarHBondContact O-CB 3.43Å; S98-F171 PolarHBondContact O-N 3.13Å; P101-F171 HydrophobicContact CB-CD1 3.64Å; P101-F171 HydrophobicContact CB-CD2 4.17Å; P101-F171 HydrophobicContact CB-CE1 3.53Å; P101-F171 HydrophobicContact CB-CE2 4.06Å; P101-F171 HydrophobicContact CB-CG 3.97Å; P101-F171 HydrophobicContact CB-CZ 3.75Å; F171-Y173 PolarHBondContact O-N 3.32Å |
| 172 | I | 88.6 | Confident | 89.9 | Confident | 38 Ų | 38 | 39.1 Ų | 39.1 | 20% | 0.195 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 117 | 174.5 | -46 | -52.6 | 0 | 0 | 0 | 108.3 | I95 A96 Y97 P170 V175 L193 | I95-I172 HydrophobicContact CG2-CD1 4.12Å; I95-I172 HydrophobicContact CG2-CG2 4.21Å; A96-I172 WeakPolarHBondContact O-CG2 3.14Å; Y97-I172 HydrophobicContact CG-CD1 4.16Å; P170-I172 HydrophobicContact CB-CD1 3.95Å; P170-I172 HydrophobicContact CG-CD1 4.08Å; I172-V175 HydrophobicContact CG2-CG2 3.4Å; I172-L193 HydrophobicContact CD1-CB 4.18Å; I172-L193 HydrophobicContact CG1-CB 4.44Å; I172-L193 WeakPolarHBondContact CG1-O 3.44Å |
| 173 | Y | 86.5 | Confident | 89.9 | Confident | 15 Ų | 15 | 39.4 Ų | 39.4 | 6% | 0.059 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | -16.4 | -179.3 | 73.1 | -92 | 0 | 0 | 0 | 112.8 | A96 Y97 P102 I108 P130 F132 Y133 F171 | A96-Y173 VanDerWaalsContact C-CE1 3.49Å; A96-Y173 HydrophobicContact CB-CD1 4.32Å; A96-Y173 HydrophobicContact CB-CE1 3.59Å; A96-Y173 HydrophobicContact CB-CE2 3.93Å; A96-Y173 WeakPolarHBondContact O-CD1 3.3Å; A96-Y173 PolarHBondContact O-N 2.89Å; Y97-Y173 WeakPolarHBondContact O-CE1 3.41Å; P102-Y173 HydrophobicContact CG-CD1 4.42Å; P102-Y173 HydrophobicContact CG-CD2 3.98Å; P102-Y173 HydrophobicContact CG-CG 3.78Å; I108-Y173 HydrophobicContact CG2-CD1 4.45Å; I108-Y173 HydrophobicContact CG2-CE1 3.52Å; P130-Y173 WeakPolarHBondContact CD-OH 3.46Å; P130-Y173 PolarHBondContact O-OH 2.7Å; F132-Y173 HydrophobicContact CD2-CE2 4.2Å; Y133-Y173 HydrophobicContact CE2-CD2 4.42Å; Y133-Y173 WeakPolarHBondContact CE2-O 3.48Å; Y133-Y173 PolarHBondContact OH-O 2.54Å; F171-Y173 PolarHBondContact O-N 3.32Å |
| 174 | Q | 89.1 | Confident | 90 | Very high | 17 Ų | 17 | 37 Ų | 37 | 8% | 0.079 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 131.2 | 171.9 | 178.1 | 58.4 | 12.7 | 0 | 0 | 110.4 | M89 I94 A96 F132 Y133 | M89-Q174 PolarHBondContact SD-NE2 3.24Å; I94-Q174 HydrophobicContact CG2-CG 3.95Å; A96-Q174 HydrophobicContact CB-CB 3.95Å; A96-Q174 PolarHBondContact N-O 2.98Å; A96-Q174 PolarHBondContact O-N 2.95Å; A96-Q174 VanDerWaalsContact O-N 3.16Å; F132-Q174 HydrophobicContact CB-CG 4.18Å; F132-Q174 HydrophobicContact CD2-CB 4.27Å; F132-Q174 HydrophobicContact CD2-CG 4.17Å; F132-Q174 HydrophobicContact CG-CG 4.43Å; Y133-Q174 PolarHBondContact OH-OE1 3.25Å |
| 175 | V | 91.9 | Very high | 90 | Very high | 56 Ų | 56 | 39.5 Ų | 39.5 | 34% | 0.339 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 129.2 | 170 | 179.4 | 0 | 0 | 0 | 0 | 108.4 | I94 I172 T194 | I94-V175 VanDerWaalsContact O-CA 3.31Å; I94-V175 WeakPolarHBondContact O-CA 3.06Å; I172-V175 HydrophobicContact CG2-CG2 3.4Å; V175-T194 HydrophobicContact CG1-CG2 3.79Å; V175-T194 HydrophobicContact CG2-CG2 4.22Å |
| 176 | S | 94.3 | Very high | 90.2 | Very high | 17 Ų | 17 | 46.1 Ų | 46.1 | 12% | 0.119 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 150.6 | 165.8 | -168 | 0 | 0 | 0 | 0 | 109.6 | M89 H92 N93 I94 | M89-S176 WeakPolarHBondContact O-CB 3.2Å; M89-S176 PolarHBondContact O-OG 2.88Å; H92-S176 CarbonylContact O-C 3.39Å; H92-S176 WeakPolarHBondContact O-CB 3.4Å; H92-S176 PolarHBondContact O-OG 3.03Å; N93-S176 WeakPolarHBondContact CA-O 3.44Å; I94-S176 PolarHBondContact N-O 2.89Å; I94-S176 PolarHBondContact O-N 3.38Å; I94-S176 VanDerWaalsContact O-N 3.09Å |
| 177 | K | 94.4 | Very high | 90.6 | Very high | 87 Ų | 87 | 47.3 Ų | 47.3 | 38% | 0.378 | 24% | 0.239 | S | C | . | . | trans | -127.3 | 119 | -179 | -60.9 | -177.5 | -179.5 | -171.8 | 0 | 108.9 | N93 L184 D185 | N93-K177 WeakPolarHBondContact OD1-CA 3.31Å; K177-L184 HydrophobicContact CD-CD2 4.18Å; K177-L184 HydrophobicContact CG-CD1 4.27Å; K177-L184 HydrophobicContact CG-CD2 4.06Å; K177-D185 WeakPolarHBondContact CD-OD2 3.04Å; K177-D185 IonicContact NZ-OD1 2.7Å; K177-D185 PolarHBondContact NZ-OD1 2.8Å; K177-D185 IonicContact NZ-OD2 2.83Å; K177-D185 PolarHBondContact NZ-OD2 2.68Å | ||
| 178 | A | 92.7 | Very high | 90.9 | Very high | 3 Ų | 3 | 52.5 Ų | 52.5 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | trans | -65.4 | 138.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110 | N93 D180 D181 | N93-A178 PolarHBondContact OD1-N 2.87Å; A178-D180 VanDerWaalsContact C-N 3.29Å; A178-D180 PolarHBondContact O-N 3.11Å; A178-D181 HydrophobicContact CB-CB 4.29Å | ||
| 179 | P | 91.2 | Very high | 91.1 | Very high | 65 Ų | 65 | 53 Ų | 53 | 42% | 0.422 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -63.7 | -36.1 | -179.9 | 24 | -33.5 | 0 | 0 | 0 | 112.2 | A90 K182 | A90-P179 WeakPolarHBondContact O-CD 3.46Å; P179-K182 WeakPolarHBondContact O-CE 3.25Å; P179-K182 PolarHBondContact O-NZ 3.46Å |
| 180 | D | 89.1 | Confident | 91.8 | Very high | 145 Ų | 145 | 50.9 Ų | 50.9 | 78% | 0.775 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -95 | -5.7 | -172.6 | -57 | -38.9 | 0 | 0 | 0 | 113.9 | A178 | A178-D180 VanDerWaalsContact C-N 3.29Å; A178-D180 PolarHBondContact O-N 3.11Å |
| 181 | D | 91.2 | Very high | 92.1 | Very high | 8 Ų | 8 | 52.8 Ų | 52.8 | 4% | 0.043 | 27% | 0.268 | C | S | . | . | trans | -125.4 | 98.3 | 176.8 | -176.9 | -0.7 | 0 | 0 | 0 | 111.1 | N93 Y114 D116 K155 A178 S183 | N93-D181 WeakPolarHBondContact ND2-CB 3.37Å; N93-D181 VanDerWaalsContact ND2-CG 3.29Å; N93-D181 PolarHBondContact ND2-O 3.24Å; N93-D181 VanDerWaalsContact ND2-O 3.1Å; N93-D181 PolarHBondContact ND2-OD2 3.26Å; Y114-D181 WeakPolarHBondContact CE2-OD2 3.35Å; D116-D181 WeakPolarHBondContact CA-OD2 3.11Å; D116-D181 PolarHBondContact N-OD2 2.91Å; K155-D181 IonicContact NZ-OD1 2.98Å; K155-D181 PolarHBondContact NZ-OD1 2.77Å; K155-D181 IonicContact NZ-OD2 3.07Å; K155-D181 PolarHBondContact NZ-OD2 3.36Å; A178-D181 HydrophobicContact CB-CB 4.29Å; D181-S183 VanDerWaalsContact C-N 3.25Å; D181-S183 VanDerWaalsContact CG-OG 3.26Å; D181-S183 PolarHBondContact O-N 3.01Å; D181-S183 WeakPolarHBondContact OD1-CB 3.48Å; D181-S183 PolarHBondContact OD1-N 3.33Å; D181-S183 PolarHBondContact OD1-OG 2.79Å; D181-S183 PolarHBondContact OD2-OG 3.36Å | ||
| 182 | K | 92.5 | Very high | 92.4 | Very high | 114 Ų | 114 | 51.9 Ų | 51.9 | 50% | 0.496 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 0.5 | -178 | -57 | -53.2 | -177.6 | -164.2 | 0 | 114.4 | P179 L184 D185 E186 | P179-K182 WeakPolarHBondContact O-CE 3.25Å; P179-K182 PolarHBondContact O-NZ 3.46Å; K182-L184 PolarHBondContact O-N 2.81Å; K182-D185 PolarHBondContact O-N 3.33Å; K182-E186 HydrophobicContact CB-CG 4.27Å; K182-E186 WeakPolarHBondContact O-CG 3.21Å; K182-E186 PolarHBondContact O-N 2.87Å; K182-E186 VanDerWaalsContact O-N 3.13Å |
| 183 | S | 93 | Very high | 92.5 | Very high | 5 Ų | 5 | 50.4 Ų | 50.4 | 4% | 0.035 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57 | -29.1 | -173.9 | 58.1 | 0 | 0 | 0 | 0 | 114.3 | Y114 D181 D185 E186 I187 | Y114-S183 WeakPolarHBondContact CE2-OG 3.06Å; Y114-S183 PolarHBondContact OH-OG 3.22Å; D181-S183 VanDerWaalsContact C-N 3.25Å; D181-S183 VanDerWaalsContact CG-OG 3.26Å; D181-S183 PolarHBondContact O-N 3.01Å; D181-S183 WeakPolarHBondContact OD1-CB 3.48Å; D181-S183 PolarHBondContact OD1-N 3.33Å; D181-S183 PolarHBondContact OD1-OG 2.79Å; D181-S183 PolarHBondContact OD2-OG 3.36Å; S183-D185 PolarHBondContact O-N 3.05Å; S183-E186 PolarHBondContact O-N 2.71Å; S183-I187 VanDerWaalsContact O-CB 3.28Å; S183-I187 WeakPolarHBondContact O-CB 3.19Å; S183-I187 VanDerWaalsContact O-CG1 3.26Å; S183-I187 WeakPolarHBondContact O-CG1 3.3Å; S183-I187 PolarHBondContact O-N 3.29Å |
| 184 | L | 93 | Very high | 92.7 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63 | -32.4 | 176.1 | -171.6 | 156.2 | 0 | 0 | 0 | 112.1 | N93 I95 Y114 K177 K182 K191 T194 | N93-L184 HydrophobicContact CB-CD1 4.31Å; I95-L184 HydrophobicContact CD1-CD1 4.17Å; I95-L184 HydrophobicContact CD1-CG 4.44Å; I95-L184 HydrophobicContact CG1-CD1 3.97Å; Y114-L184 PolarHBondContact OH-N 3Å; K177-L184 HydrophobicContact CD-CD2 4.18Å; K177-L184 HydrophobicContact CG-CD1 4.27Å; K177-L184 HydrophobicContact CG-CD2 4.06Å; K182-L184 PolarHBondContact O-N 2.81Å; L184-K191 WeakPolarHBondContact O-CA 3.43Å; L184-K191 WeakPolarHBondContact O-CB 3.45Å; L184-K191 PolarHBondContact O-N 2.76Å; L184-T194 HydrophobicContact CD2-CG2 3.48Å; L184-T194 VanDerWaalsContact CD2-CG2 3.48Å; L184-T194 HydrophobicContact CG-CG2 4.44Å |
| 185 | D | 93.3 | Very high | 92.8 | Very high | 52 Ų | 52 | 56.5 Ų | 56.5 | 28% | 0.278 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -90.9 | -19.4 | 176.6 | -84.9 | -44.9 | 0 | 0 | 0 | 114.1 | K177 K182 S183 K191 | K177-D185 WeakPolarHBondContact CD-OD2 3.04Å; K177-D185 IonicContact NZ-OD1 2.7Å; K177-D185 PolarHBondContact NZ-OD1 2.8Å; K177-D185 IonicContact NZ-OD2 2.83Å; K177-D185 PolarHBondContact NZ-OD2 2.68Å; K182-D185 PolarHBondContact O-N 3.33Å; S183-D185 PolarHBondContact O-N 3.05Å; D185-K191 WeakPolarHBondContact O-CD 3.43Å; D185-K191 WeakPolarHBondContact O-CE 3.49Å; D185-K191 PolarHBondContact O-NZ 3.2Å |
| 186 | E | 94.9 | Very high | 92.4 | Very high | 142 Ų | 142 | 59.6 Ų | 59.6 | 66% | 0.664 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -91.2 | -33.6 | 179.8 | -65.8 | 172.5 | 166.4 | 0 | 0 | 112.5 | K182 S183 D188 | K182-E186 HydrophobicContact CB-CG 4.27Å; K182-E186 WeakPolarHBondContact O-CG 3.21Å; K182-E186 PolarHBondContact O-N 2.87Å; K182-E186 VanDerWaalsContact O-N 3.13Å; S183-E186 PolarHBondContact O-N 2.71Å; E186-D188 PolarHBondContact O-N 3.02Å |
| 187 | I | 95.4 | Very high | 91.7 | Very high | 34 Ų | 34 | 62.3 Ų | 62.3 | 17% | 0.174 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -81.8 | 102.4 | 175 | -59.7 | 169.5 | 0 | 0 | 0 | 108 | L158 S183 S189 L190 K191 | L158-I187 HydrophobicContact CB-CD1 4.37Å; S183-I187 VanDerWaalsContact O-CB 3.28Å; S183-I187 WeakPolarHBondContact O-CB 3.19Å; S183-I187 VanDerWaalsContact O-CG1 3.26Å; S183-I187 WeakPolarHBondContact O-CG1 3.3Å; S183-I187 PolarHBondContact O-N 3.29Å; I187-S189 PolarHBondContact O-N 2.92Å; I187-S189 VanDerWaalsContact O-N 3.1Å; I187-L190 HydrophobicContact CB-CB 4.27Å; I187-L190 HydrophobicContact CB-CD1 3.99Å; I187-L190 HydrophobicContact CB-CG 4.02Å; I187-L190 HydrophobicContact CD1-CD1 3.81Å; I187-L190 HydrophobicContact CG1-CD1 4.48Å; I187-L190 HydrophobicContact CG2-CB 4.33Å; I187-L190 HydrophobicContact CG2-CD1 4.15Å; I187-L190 HydrophobicContact CG2-CG 3.78Å; I187-L190 PolarHBondContact O-N 3.01Å; I187-K191 PolarHBondContact O-N 3.4Å |
| 188 | D | 94.9 | Very high | 91.1 | Very high | 127 Ų | 127 | 61.7 Ų | 61.7 | 68% | 0.679 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -51.9 | -38.3 | -174.5 | -80.9 | -25.8 | 0 | 0 | 0 | 114.1 | E186 K192 | E186-D188 PolarHBondContact O-N 3.02Å; D188-K192 VanDerWaalsContact O-CB 3.29Å; D188-K192 WeakPolarHBondContact O-CB 3.47Å; D188-K192 PolarHBondContact O-N 2.96Å |
| 189 | S | 93.8 | Very high | 90.5 | Very high | 21 Ų | 21 | 67.2 Ų | 67.2 | 15% | 0.147 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -68.4 | -36 | 179.3 | 62 | 0 | 0 | 0 | 0 | 112.8 | S159 I187 | S159-S189 WeakPolarHBondContact CA-OG 3.17Å; S159-S189 PolarHBondContact O-OG 2.86Å; I187-S189 PolarHBondContact O-N 2.92Å; I187-S189 VanDerWaalsContact O-N 3.1Å |
| 190 | L | 94.5 | Very high | 90 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -72 | -47.1 | 172.9 | -60.6 | -176.2 | 0 | 0 | 0 | 110.9 | I95 L112 Y114 L158 W161 I187 K192 L193 T194 | I95-L190 HydrophobicContact CD1-CB 4.21Å; I95-L190 HydrophobicContact CD1-CD2 4.16Å; L112-L190 HydrophobicContact CD2-CD2 4.26Å; Y114-L190 HydrophobicContact CE1-CD1 4.37Å; L158-L190 HydrophobicContact CB-CD1 4.09Å; L158-L190 HydrophobicContact CD1-CD1 4.38Å; W161-L190 HydrophobicContact CE3-CD2 3.75Å; W161-L190 HydrophobicContact CZ3-CD2 3.75Å; I187-L190 HydrophobicContact CB-CB 4.27Å; I187-L190 HydrophobicContact CB-CD1 3.99Å; I187-L190 HydrophobicContact CB-CG 4.02Å; I187-L190 HydrophobicContact CD1-CD1 3.81Å; I187-L190 HydrophobicContact CG1-CD1 4.48Å; I187-L190 HydrophobicContact CG2-CB 4.33Å; I187-L190 HydrophobicContact CG2-CD1 4.15Å; I187-L190 HydrophobicContact CG2-CG 3.78Å; I187-L190 PolarHBondContact O-N 3.01Å; L190-K192 PolarHBondContact O-N 3.34Å; L190-L193 WeakPolarHBondContact O-CB 3.3Å; L190-L193 PolarHBondContact O-N 3.28Å; L190-T194 PolarHBondContact O-N 2.96Å |
| 191 | K | 94.5 | Very high | 89.5 | Confident | 61 Ų | 61 | 66.4 Ų | 66.4 | 27% | 0.265 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -54.9 | -39.7 | 177.6 | -170.9 | -174.8 | -149.5 | 148.3 | 0 | 111.4 | L184 D185 I187 L193 T194 | L184-K191 WeakPolarHBondContact O-CA 3.43Å; L184-K191 WeakPolarHBondContact O-CB 3.45Å; L184-K191 PolarHBondContact O-N 2.76Å; D185-K191 WeakPolarHBondContact O-CD 3.43Å; D185-K191 WeakPolarHBondContact O-CE 3.49Å; D185-K191 PolarHBondContact O-NZ 3.2Å; I187-K191 PolarHBondContact O-N 3.4Å; K191-L193 VanDerWaalsContact C-N 3.29Å; K191-L193 PolarHBondContact O-N 2.81Å; K191-T194 PolarHBondContact O-N 2.99Å; K191-T194 VanDerWaalsContact O-N 3.11Å; K191-T194 PolarHBondContact O-OG1 3.38Å |
| 192 | K | 91.8 | Very high | 89.1 | Confident | 81 Ų | 81 | 71.4 Ų | 71.4 | 35% | 0.352 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61 | -36.1 | 178.4 | -169.7 | 179.4 | -177.4 | -167.9 | 0 | 112.7 | D166 D188 L190 T194 K195 | D166-K192 WeakPolarHBondContact OD2-CD 3.29Å; D166-K192 WeakPolarHBondContact OD2-CE 3.17Å; D166-K192 IonicContact OD2-NZ 3.27Å; D166-K192 PolarHBondContact OD2-NZ 3.02Å; D188-K192 VanDerWaalsContact O-CB 3.29Å; D188-K192 WeakPolarHBondContact O-CB 3.47Å; D188-K192 PolarHBondContact O-N 2.96Å; L190-K192 PolarHBondContact O-N 3.34Å; K192-T194 PolarHBondContact O-N 3.29Å; K192-K195 PolarHBondContact O-N 3.13Å |
| 193 | L | 91.4 | Very high | 89.1 | Confident | 8 Ų | 8 | 69.1 Ų | 69.1 | 4% | 0.042 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.1 | -31.8 | 176.1 | -60.9 | 174 | 0 | 0 | 0 | 111.5 | I95 W161 M165 D166 P170 I172 L190 K191 K195 | I95-L193 HydrophobicContact CD1-CB 4.41Å; I95-L193 HydrophobicContact CD1-CD1 4.15Å; I95-L193 HydrophobicContact CG2-CD1 4.31Å; W161-L193 HydrophobicContact CH2-CD1 4.32Å; W161-L193 HydrophobicContact CZ3-CD1 3.85Å; M165-L193 HydrophobicContact CB-CD1 3.98Å; M165-L193 HydrophobicContact CB-CD2 4.02Å; D166-L193 HydrophobicContact CB-CD2 3.94Å; P170-L193 HydrophobicContact CG-CD2 4.16Å; I172-L193 HydrophobicContact CD1-CB 4.18Å; I172-L193 HydrophobicContact CG1-CB 4.44Å; I172-L193 WeakPolarHBondContact CG1-O 3.44Å; L190-L193 WeakPolarHBondContact O-CB 3.3Å; L190-L193 PolarHBondContact O-N 3.28Å; K191-L193 VanDerWaalsContact C-N 3.29Å; K191-L193 PolarHBondContact O-N 2.81Å; L193-K195 PolarHBondContact O-N 2.83Å |
| 194 | T | 90.8 | Very high | 89 | Confident | 42 Ų | 42 | 73.3 Ų | 73.3 | 26% | 0.258 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -1.2 | 178.8 | 73 | 0 | 0 | 0 | 0 | 114.6 | V175 L184 L190 K191 K192 | V175-T194 HydrophobicContact CG1-CG2 3.79Å; V175-T194 HydrophobicContact CG2-CG2 4.22Å; L184-T194 HydrophobicContact CD2-CG2 3.48Å; L184-T194 VanDerWaalsContact CD2-CG2 3.48Å; L184-T194 HydrophobicContact CG-CG2 4.44Å; L190-T194 PolarHBondContact O-N 2.96Å; K191-T194 PolarHBondContact O-N 2.99Å; K191-T194 VanDerWaalsContact O-N 3.11Å; K191-T194 PolarHBondContact O-OG1 3.38Å; K192-T194 PolarHBondContact O-N 3.29Å |
| 195 | K | 89.9 | Confident | 89 | Confident | 117 Ų | 117 | 74.5 Ų | 74.5 | 51% | 0.509 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -113.9 | 159.6 | -179 | -66.1 | 178.8 | 179.4 | 179.7 | 0 | 110.1 | K192 L193 S197 | K192-K195 PolarHBondContact O-N 3.13Å; L193-K195 PolarHBondContact O-N 2.83Å; K195-S197 PolarHBondContact O-N 3.23Å |
| 196 | P | 84.1 | Confident | 89.1 | Confident | 122 Ų | 122 | 74 Ų | 74 | 79% | 0.792 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -51.9 | 132.9 | 172 | -27.1 | 35.5 | 0 | 0 | 0 | 111.9 | T198 | P196-T198 PolarHBondContact O-N 3.4Š|
| 197 | S | 80.3 | Confident | 89.1 | Confident | 73 Ų | 73 | 69.8 Ų | 69.8 | 51% | 0.51 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 133.7 | 178.2 | -175.6 | 0 | 0 | 0 | 0 | 110.3 | K195 K200 | K195-S197 PolarHBondContact O-N 3.23Å; S197-K200 PolarHBondContact OG-NZ 2.95Å |
| 198 | T | 81.6 | Confident | 89.2 | Confident | 75 Ų | 75 | 72.8 Ų | 72.8 | 46% | 0.46 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -97.9 | 146.1 | 177.4 | 44.7 | 0 | 0 | 0 | 0 | 110.2 | P196 K200 | P196-T198 PolarHBondContact O-N 3.4Å; T198-K200 PolarHBondContact O-N 2.9Å |
| 199 | P | 78.9 | Confident | 89.4 | Confident | 118 Ų | 118 | 70.3 Ų | 70.3 | 77% | 0.766 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 133 | 174.2 | -25.8 | 34.4 | 0 | 0 | 0 | 111.2 | ||
| 200 | K | 80.4 | Confident | 89.5 | Confident | 28 Ų | 28 | 69.4 Ų | 69.4 | 12% | 0.122 | 36% | 0.364 | C | S | . | . | trans | -110.5 | 137.4 | 179.7 | -70 | 145.9 | -170 | 152.5 | 0 | 109.6 | D166 Y167 S197 T198 L227 | D166-K200 PolarHBondContact O-NZ 2.96Å; D166-K200 WeakPolarHBondContact OD1-CE 3.07Å; D166-K200 IonicContact OD1-NZ 3.37Å; D166-K200 PolarHBondContact OD1-NZ 3.01Å; D166-K200 WeakPolarHBondContact OD2-CE 3.31Å; D166-K200 IonicContact OD2-NZ 3.76Å; Y167-K200 HydrophobicContact CE2-CD 4.5Å; S197-K200 PolarHBondContact OG-NZ 2.95Å; T198-K200 PolarHBondContact O-N 2.9Å; K200-L227 HydrophobicContact CB-CD1 3.59Å; K200-L227 HydrophobicContact CD-CD1 3.77Å; K200-L227 HydrophobicContact CD-CD2 3.66Å; K200-L227 HydrophobicContact CD-CG 4.37Å; K200-L227 HydrophobicContact CG-CD1 4.28Å | ||
| 201 | F | 79.2 | Confident | 89.6 | Confident | 165 Ų | 165 | 74.6 Ų | 74.6 | 72% | 0.724 | 39% | 0.386 | S | S | * | . | trans | -100.2 | 178.7 | 168.8 | -61.7 | -79.8 | 0 | 0 | 0 | 109.6 | P203 | F201-P203 VanDerWaalsContact O-O 3.11Š| ||
| 202 | T | 84 | Confident | 89.7 | Confident | 113 Ų | 113 | 71.9 Ų | 71.9 | 69% | 0.693 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -46.8 | 140 | 176.5 | -177.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 203 | P | 91.6 | Very high | 89.8 | Confident | 66 Ų | 66 | 69.2 Ų | 69.2 | 43% | 0.429 | 37% | 0.368 | S | S | . | . | cis | -73.1 | 151.4 | 1.8 | 32.2 | -35.7 | 0 | 0 | 0 | 112.5 | Y167 F201 | Y167-P203 VanDerWaalsContact CE1-O 3.27Å; Y167-P203 WeakPolarHBondContact CE1-O 3.3Å; F201-P203 VanDerWaalsContact O-O 3.11Å | ||
| 204 | Y | 90.3 | Very high | 89.7 | Confident | 93 Ų | 93 | 71.8 Ų | 71.8 | 37% | 0.365 | 38% | 0.382 | S | S | . | . | trans | -92.2 | -2.1 | 175.1 | -55.4 | -53.3 | 0 | 0 | 0 | 113.7 | L227 V229 | Y204-L227 HydrophobicContact CD1-CD1 4.44Å; Y204-L227 PolarHBondContact O-N 3.03Å; Y204-V229 HydrophobicContact CD1-CB 4.48Å; Y204-V229 HydrophobicContact CD1-CG2 3.38Å; Y204-V229 HydrophobicContact CE1-CG2 3.74Å; Y204-V229 HydrophobicContact CG-CG2 4.01Å | ||
| 205 | V | 93.3 | Very high | 89.4 | Confident | 26 Ų | 26 | 75.6 Ų | 75.6 | 16% | 0.158 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 138.9 | -178.5 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | I224 S225 K226 Y238 | V205-I224 HydrophobicContact CG1-CG2 3.86Å; V205-S225 CarbonylContact C-O 3.23Å; V205-S225 VanDerWaalsContact CA-O 3.23Å; V205-S225 WeakPolarHBondContact CA-O 3.08Å; V205-S225 WeakPolarHBondContact CG1-O 3.39Å; V205-K226 HydrophobicContact CG2-CB 3.99Å; V205-K226 HydrophobicContact CG2-CG 3.83Å; V205-Y238 HydrophobicContact CB-CD1 4.2Å; V205-Y238 HydrophobicContact CB-CE1 4.19Å; V205-Y238 HydrophobicContact CG1-CD1 4.08Å; V205-Y238 HydrophobicContact CG1-CG 4.07Å; V205-Y238 HydrophobicContact CG2-CD1 3.8Å; V205-Y238 HydrophobicContact CG2-CD2 3.84Å; V205-Y238 HydrophobicContact CG2-CE1 3.5Å; V205-Y238 HydrophobicContact CG2-CE2 3.56Å; V205-Y238 HydrophobicContact CG2-CG 3.96Å |
| 206 | K | 94.9 | Very high | 89.3 | Confident | 41 Ų | 41 | 74.4 Ų | 74.4 | 18% | 0.178 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 153.6 | 170.6 | -76.1 | -173.2 | 175.6 | 179.5 | 0 | 110.7 | E163 L164 Y167 I224 S225 | E163-K206 HydrophobicContact CG-CD 4.07Å; E163-K206 WeakPolarHBondContact OE1-CD 3.21Å; E163-K206 WeakPolarHBondContact OE1-CE 3.22Å; E163-K206 IonicContact OE1-NZ 2.81Å; E163-K206 PolarHBondContact OE1-NZ 3.12Å; L164-K206 HydrophobicContact CD2-CB 3.45Å; L164-K206 VanDerWaalsContact CD2-CB 3.45Å; Y167-K206 HydrophobicContact CD1-CB 4.13Å; Y167-K206 HydrophobicContact CD1-CD 4.13Å; Y167-K206 HydrophobicContact CD1-CG 3.81Å; Y167-K206 HydrophobicContact CD2-CD 3.83Å; Y167-K206 HydrophobicContact CD2-CG 4.39Å; Y167-K206 HydrophobicContact CE1-CB 4.46Å; Y167-K206 HydrophobicContact CE1-CD 3.85Å; Y167-K206 HydrophobicContact CE1-CG 3.65Å; Y167-K206 HydrophobicContact CE2-CD 3.59Å; Y167-K206 HydrophobicContact CE2-CG 4.31Å; Y167-K206 HydrophobicContact CG-CB 4.26Å; Y167-K206 HydrophobicContact CG-CD 4.11Å; Y167-K206 HydrophobicContact CG-CG 4.17Å; Y167-K206 VanDerWaalsContact OH-CE 3.24Å; Y167-K206 WeakPolarHBondContact OH-CE 3.44Å; K206-I224 WeakPolarHBondContact O-CA 3.26Å; K206-S225 PolarHBondContact N-O 3Å; K206-S225 PolarHBondContact O-N 3.16Å |
| 207 | N | 96.4 | Very high | 89.4 | Confident | 55 Ų | 55 | 76.7 Ų | 76.7 | 29% | 0.294 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 145.1 | 168.6 | 70.1 | 101.1 | 0 | 0 | 0 | 110.6 | I223 I224 | N207-I223 WeakPolarHBondContact CA-O 3.5Å; N207-I223 VanDerWaalsContact CB-O 3.3Å; N207-I223 WeakPolarHBondContact CB-O 3.49Å; N207-I224 HydrophobicContact CB-CB 4.36Å; N207-I224 HydrophobicContact CB-CG1 3.83Å; N207-I224 HydrophobicContact CB-CG2 4.5Å |
| 208 | R | 97.4 | Very high | 90 | Very high | 97 Ų | 97 | 75.8 Ų | 75.8 | 37% | 0.366 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 155.2 | 175.2 | -59.4 | -72 | 178.9 | -109.3 | 5.5 | 109 | E163 L164 R222 I223 | E163-R208 VanDerWaalsContact CD-NH2 3.33Å; E163-R208 IonicContact OE1-CZ 2.68Å; E163-R208 IonicContact OE1-NH2 2.65Å; E163-R208 PolarHBondContact OE1-NH2 2.78Å; E163-R208 IonicContact OE2-CZ 2.7Å; E163-R208 VanDerWaalsContact OE2-CZ 3.3Å; E163-R208 IonicContact OE2-NE 3.12Å; E163-R208 PolarHBondContact OE2-NE 2.83Å; E163-R208 IonicContact OE2-NH2 3.28Å; E163-R208 PolarHBondContact OE2-NH2 3.15Å; L164-R208 HydrophobicContact CD1-CB 3.69Å; L164-R208 HydrophobicContact CD1-CG 3.98Å; L164-R208 HydrophobicContact CD2-CG 4.04Å; L164-R208 HydrophobicContact CG-CB 4.25Å; L164-R208 HydrophobicContact CG-CG 3.98Å; R208-R222 WeakPolarHBondContact O-CA 3.37Å; R208-R222 WeakPolarHBondContact O-CG 3.17Å; R208-I223 PolarHBondContact N-O 3.38Å; R208-I223 PolarHBondContact O-N 2.75Å |
| 209 | E | 97.4 | Very high | 90.8 | Very high | 74 Ų | 74 | 73.3 Ų | 73.3 | 35% | 0.346 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 150.1 | 165.6 | -55.8 | -171.3 | 148.5 | 0 | 0 | 109 | K220 F221 R222 | E209-K220 HydrophobicContact CB-CD 4.46Å; E209-K220 HydrophobicContact CB-CG 4.33Å; E209-K220 HydrophobicContact CG-CD 4.49Å; E209-K220 WeakPolarHBondContact OE2-CD 3.06Å; E209-K220 WeakPolarHBondContact OE2-CE 2.95Å; E209-K220 IonicContact OE2-NZ 3.33Å; E209-K220 PolarHBondContact OE2-NZ 2.86Å; E209-F221 CarbonylContact C-O 3.55Å; E209-F221 WeakPolarHBondContact CA-O 3.49Å; E209-R222 HydrophobicContact CG-CB 4.22Å; E209-R222 HydrophobicContact CG-CG 4.22Å; E209-R222 IonicContact OE1-CZ 2.93Å; E209-R222 VanDerWaalsContact OE1-CZ 3.28Å; E209-R222 IonicContact OE1-NE 2.87Å; E209-R222 PolarHBondContact OE1-NE 3.38Å; E209-R222 VanDerWaalsContact OE1-NE 3.12Å; E209-R222 IonicContact OE1-NH2 2.76Å; E209-R222 PolarHBondContact OE1-NH2 2.99Å |
| 210 | F | 96.7 | Very high | 91.7 | Very high | 3 Ų | 3 | 72.5 Ų | 72.5 | 1% | 0.013 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 164.4 | 169.3 | 65.8 | -83.2 | 0 | 0 | 0 | 109.1 | L121 I151 I153 E157 F221 I223 L324 | L121-F210 HydrophobicContact CD2-CZ 4.15Å; I151-F210 HydrophobicContact CD1-CE2 3.96Å; I151-F210 HydrophobicContact CD1-CZ 3.72Å; I151-F210 HydrophobicContact CG2-CE2 4.18Å; I153-F210 HydrophobicContact CD1-CD2 4.04Å; I153-F210 HydrophobicContact CD1-CE2 3.96Å; I153-F210 HydrophobicContact CG1-CD2 4.29Å; I153-F210 HydrophobicContact CG1-CE2 4.36Å; E157-F210 HydrophobicContact CB-CB 3.91Å; E157-F210 HydrophobicContact CB-CD2 4.44Å; E157-F210 HydrophobicContact CG-CB 3.87Å; E157-F210 WeakPolarHBondContact OE1-CA 3.1Å; E157-F210 WeakPolarHBondContact OE2-CB 3.08Å; F210-F221 HydrophobicContact CD1-CB 4.06Å; F210-F221 HydrophobicContact CD2-CB 4.33Å; F210-F221 HydrophobicContact CE1-CB 3.59Å; F210-F221 HydrophobicContact CE2-CB 3.92Å; F210-F221 HydrophobicContact CE2-CD2 4.19Å; F210-F221 HydrophobicContact CE2-CG 4.22Å; F210-F221 HydrophobicContact CG-CB 4.4Å; F210-F221 HydrophobicContact CZ-CB 3.53Å; F210-F221 HydrophobicContact CZ-CD2 4.49Å; F210-F221 HydrophobicContact CZ-CG 4.06Å; F210-F221 PolarHBondContact N-O 3.05Å; F210-F221 PolarHBondContact O-N 2.75Å; F210-I223 HydrophobicContact CD1-CD1 4.42Å; F210-I223 HydrophobicContact CE1-CD1 3.49Å; F210-I223 VanDerWaalsContact CE1-CD1 3.49Å; F210-I223 HydrophobicContact CE1-CG1 3.87Å; F210-I223 HydrophobicContact CZ-CD1 4.13Å; F210-L324 HydrophobicContact CE1-CD1 4.11Å; F210-L324 HydrophobicContact CZ-CD1 4.03Å |
| 211 | K | 96.9 | Very high | 92.5 | Very high | 108 Ų | 108 | 71.2 Ų | 71.2 | 47% | 0.47 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 150.7 | 176.9 | -66.4 | 178.2 | -174.1 | 175.3 | 0 | 111.3 | P154 E157 P218 L219 | P154-K211 WeakPolarHBondContact CD-O 3.49Å; E157-K211 PolarHBondContact OE1-N 2.88Å; K211-P218 HydrophobicContact CB-CB 4.06Å; K211-P218 HydrophobicContact CD-CB 4.14Å; K211-P218 HydrophobicContact CD-CG 4.24Å; K211-P218 HydrophobicContact CG-CB 4.4Å; K211-L219 WeakPolarHBondContact CA-O 3.5Å |
| 212 | S | 96.1 | Very high | 93.4 | Very high | 4 Ų | 4 | 66.1 Ų | 66.1 | 3% | 0.028 | 35% | 0.351 | C | S | . | . | trans | -72.7 | 169 | 162.8 | 55.4 | 0 | 0 | 0 | 0 | 111.6 | D39 T152 L219 | D39-S212 VanDerWaalsContact CG-CB 3.47Å; D39-S212 VanDerWaalsContact CG-OG 3.23Å; D39-S212 WeakPolarHBondContact OD1-CB 3.46Å; D39-S212 PolarHBondContact OD1-OG 2.93Å; D39-S212 WeakPolarHBondContact OD2-CB 3.34Å; D39-S212 PolarHBondContact OD2-OG 3.25Å; T152-S212 CarbonylContact O-C 3.5Å; T152-S212 WeakPolarHBondContact O-CA 3.18Å; S212-L219 PolarHBondContact N-O 2.71Å; S212-L219 PolarHBondContact OG-N 2.86Å; S212-L219 PolarHBondContact OG-O 2.72Å | ||
| 213 | A | 93.3 | Very high | 94 | Very high | 25 Ų | 25 | 61 Ų | 61 | 21% | 0.207 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -77.8 | -18.2 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | D39 T152 P154 S215 | D39-A213 PolarHBondContact OD1-N 2.82Å; D39-A213 VanDerWaalsContact OD1-N 3.07Å; T152-A213 HydrophobicContact CG2-CB 3.62Å; T152-A213 PolarHBondContact O-N 3.43Å; P154-A213 HydrophobicContact CB-CB 4.29Å; A213-S215 PolarHBondContact O-N 2.99Å |
| 214 | D | 89.4 | Confident | 94.2 | Very high | 63 Ų | 63 | 57.9 Ų | 57.9 | 34% | 0.337 | 30% | 0.299 | S | S | . | . | trans | -58.6 | 109.5 | 177.6 | -176.9 | -19 | 0 | 0 | 0 | 110.5 | D39 A216 K217 P218 | D39-D214 HydrophobicContact CB-CB 3.88Å; D39-D214 WeakPolarHBondContact OD1-CB 3.39Å; D39-D214 PolarHBondContact OD1-N 2.85Å; D214-A216 VanDerWaalsContact C-N 3.33Å; D214-A216 PolarHBondContact O-N 2.81Å; D214-A216 WeakPolarHBondContact OD1-CA 3.14Å; D214-A216 WeakPolarHBondContact OD1-CB 3.45Å; D214-A216 PolarHBondContact OD1-N 2.91Å; D214-K217 CarbonylContact O-C 3.48Å; D214-K217 PolarHBondContact OD1-N 2.89Å; D214-P218 WeakPolarHBondContact O-CA 3.31Å; D214-P218 WeakPolarHBondContact O-CB 3.47Å; D214-P218 WeakPolarHBondContact O-CD 3.34Å | ||
| 215 | S | 84.9 | Confident | 94.4 | Very high | 122 Ų | 122 | 53.5 Ų | 53.5 | 85% | 0.853 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -69.2 | -27.4 | -179.5 | 61.2 | 0 | 0 | 0 | 0 | 113.9 | A213 | A213-S215 PolarHBondContact O-N 2.99Š|
| 216 | A | 87.6 | Confident | 94.3 | Very high | 92 Ų | 92 | 52.3 Ų | 52.3 | 76% | 0.76 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -81.6 | -39.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | D214 | D214-A216 VanDerWaalsContact C-N 3.33Å; D214-A216 PolarHBondContact O-N 2.81Å; D214-A216 WeakPolarHBondContact OD1-CA 3.14Å; D214-A216 WeakPolarHBondContact OD1-CB 3.45Å; D214-A216 PolarHBondContact OD1-N 2.91Å |
| 217 | K | 87.6 | Confident | 94.1 | Very high | 170 Ų | 170 | 50.5 Ų | 50.5 | 74% | 0.739 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -143.1 | 66.8 | -179.1 | -162.9 | -177.1 | 177.1 | -175 | 0 | 112.2 | D214 L219 | D214-K217 CarbonylContact O-C 3.48Å; D214-K217 PolarHBondContact OD1-N 2.89Å; K217-L219 PolarHBondContact O-N 2.8Å |
| 218 | P | 92.7 | Very high | 93.6 | Very high | 54 Ų | 54 | 51 Ų | 51 | 35% | 0.351 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 129.6 | -178.7 | 24.3 | -30.5 | 0 | 0 | 0 | 110.1 | K211 D214 | K211-P218 HydrophobicContact CB-CB 4.06Å; K211-P218 HydrophobicContact CD-CB 4.14Å; K211-P218 HydrophobicContact CD-CG 4.24Å; K211-P218 HydrophobicContact CG-CB 4.4Å; D214-P218 WeakPolarHBondContact O-CA 3.31Å; D214-P218 WeakPolarHBondContact O-CB 3.47Å; D214-P218 WeakPolarHBondContact O-CD 3.34Å |
| 219 | L | 96.9 | Very high | 93.2 | Very high | 23 Ų | 23 | 49.9 Ų | 49.9 | 12% | 0.12 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -83.2 | 130.2 | 170.5 | -176.3 | 62 | 0 | 0 | 0 | 109.3 | W40 K211 S212 K217 F221 F326 Q327 | W40-L219 HydrophobicContact CD2-CD2 3.68Å; W40-L219 HydrophobicContact CE3-CD2 4.46Å; W40-L219 HydrophobicContact CG-CD2 3.71Å; W40-L219 HydrophobicContact CZ2-CD2 4.23Å; K211-L219 WeakPolarHBondContact CA-O 3.5Å; S212-L219 PolarHBondContact N-O 2.71Å; S212-L219 PolarHBondContact OG-N 2.86Å; S212-L219 PolarHBondContact OG-O 2.72Å; K217-L219 PolarHBondContact O-N 2.8Å; L219-F221 HydrophobicContact CB-CE2 3.87Å; L219-F221 HydrophobicContact CB-CZ 4.34Å; L219-F221 HydrophobicContact CD2-CE1 4.14Å; L219-F221 HydrophobicContact CD2-CE2 3.85Å; L219-F221 HydrophobicContact CD2-CZ 3.46Å; L219-F221 VanDerWaalsContact CD2-CZ 3.46Å; L219-F221 HydrophobicContact CG-CD2 4.47Å; L219-F221 HydrophobicContact CG-CE2 3.81Å; L219-F221 HydrophobicContact CG-CZ 3.94Å; L219-F221 WeakPolarHBondContact O-CD2 3.3Å; L219-F326 HydrophobicContact CD1-CD2 4.39Å; L219-F326 HydrophobicContact CD2-CB 4.17Å; L219-F326 HydrophobicContact CD2-CD2 3.54Å; L219-F326 HydrophobicContact CD2-CE2 3.96Å; L219-F326 HydrophobicContact CD2-CG 3.98Å; L219-F326 HydrophobicContact CG-CB 4.3Å; L219-F326 HydrophobicContact CG-CD2 4.38Å; L219-Q327 WeakPolarHBondContact CD1-O 3.17Å |
| 220 | K | 98 | Very high | 92.8 | Very high | 100 Ų | 100 | 47 Ų | 47 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 126.4 | 176.3 | 179.2 | -174.3 | -78.3 | -154.5 | 0 | 110.4 | E209 F326 | E209-K220 HydrophobicContact CB-CD 4.46Å; E209-K220 HydrophobicContact CB-CG 4.33Å; E209-K220 HydrophobicContact CG-CD 4.49Å; E209-K220 WeakPolarHBondContact OE2-CD 3.06Å; E209-K220 WeakPolarHBondContact OE2-CE 2.95Å; E209-K220 IonicContact OE2-NZ 3.33Å; E209-K220 PolarHBondContact OE2-NZ 2.86Å; K220-F326 WeakPolarHBondContact O-CB 3.41Å |
| 221 | F | 98.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 151.1 | 172.3 | -66.6 | -90.8 | 0 | 0 | 0 | 110.6 | W40 I151 E209 F210 L219 L324 C325 F326 | W40-F221 HydrophobicContact CB-CE2 4.47Å; W40-F221 HydrophobicContact CB-CZ 3.84Å; W40-F221 HydrophobicContact CG-CZ 4.11Å; I151-F221 HydrophobicContact CB-CE2 4.49Å; I151-F221 HydrophobicContact CB-CZ 4.48Å; I151-F221 HydrophobicContact CD1-CB 4.41Å; I151-F221 HydrophobicContact CD1-CD1 3.37Å; I151-F221 HydrophobicContact CD1-CD2 3.89Å; I151-F221 HydrophobicContact CD1-CE1 3.42Å; I151-F221 VanDerWaalsContact CD1-CE1 3.42Å; I151-F221 HydrophobicContact CD1-CE2 3.96Å; I151-F221 HydrophobicContact CD1-CG 3.61Å; I151-F221 HydrophobicContact CD1-CZ 3.72Å; I151-F221 HydrophobicContact CG1-CD1 4.18Å; I151-F221 HydrophobicContact CG1-CD2 4.41Å; I151-F221 HydrophobicContact CG1-CE1 3.7Å; I151-F221 HydrophobicContact CG1-CE2 3.99Å; I151-F221 HydrophobicContact CG1-CZ 3.6Å; I151-F221 HydrophobicContact CG2-CD2 4.07Å; I151-F221 HydrophobicContact CG2-CE2 3.69Å; I151-F221 HydrophobicContact CG2-CZ 4.13Å; E209-F221 CarbonylContact C-O 3.55Å; E209-F221 WeakPolarHBondContact CA-O 3.49Å; F210-F221 HydrophobicContact CD1-CB 4.06Å; F210-F221 HydrophobicContact CD2-CB 4.33Å; F210-F221 HydrophobicContact CE1-CB 3.59Å; F210-F221 HydrophobicContact CE2-CB 3.92Å; F210-F221 HydrophobicContact CE2-CD2 4.19Å; F210-F221 HydrophobicContact CE2-CG 4.22Å; F210-F221 HydrophobicContact CG-CB 4.4Å; F210-F221 HydrophobicContact CZ-CB 3.53Å; F210-F221 HydrophobicContact CZ-CD2 4.49Å; F210-F221 HydrophobicContact CZ-CG 4.06Å; F210-F221 PolarHBondContact N-O 3.05Å; F210-F221 PolarHBondContact O-N 2.75Å; L219-F221 HydrophobicContact CB-CE2 3.87Å; L219-F221 HydrophobicContact CB-CZ 4.34Å; L219-F221 HydrophobicContact CD2-CE1 4.14Å; L219-F221 HydrophobicContact CD2-CE2 3.85Å; L219-F221 HydrophobicContact CD2-CZ 3.46Å; L219-F221 VanDerWaalsContact CD2-CZ 3.46Å; L219-F221 HydrophobicContact CG-CD2 4.47Å; L219-F221 HydrophobicContact CG-CE2 3.81Å; L219-F221 HydrophobicContact CG-CZ 3.94Å; L219-F221 WeakPolarHBondContact O-CD2 3.3Å; F221-L324 HydrophobicContact CB-CD1 3.93Å; F221-L324 HydrophobicContact CD1-CD1 3.81Å; F221-L324 HydrophobicContact CD1-CG 4.34Å; F221-L324 HydrophobicContact CG-CD1 4.24Å; F221-C325 CarbonylContact C-O 3.54Å; F221-C325 VanDerWaalsContact CA-O 3.31Å; F221-C325 WeakPolarHBondContact CA-O 3.28Å; F221-F326 HydrophobicContact CD1-CB 3.67Å; F221-F326 AromaticContact CD1-CD1 3.78Å; F221-F326 HydrophobicContact CD1-CD1 3.78Å; F221-F326 HydrophobicContact CD1-CG 4.04Å; F221-F326 HydrophobicContact CE1-CB 3.77Å; F221-F326 AromaticContact CE1-CD1 3.37Å; F221-F326 HydrophobicContact CE1-CD1 3.37Å; F221-F326 AromaticContact CE1-CE1 3.96Å; F221-F326 HydrophobicContact CE1-CE1 3.96Å; F221-F326 AromaticContact CE1-CG 3.69Å; F221-F326 HydrophobicContact CE1-CG 3.69Å; F221-F326 HydrophobicContact CG-CB 4.33Å; F221-F326 HydrophobicContact CZ-CB 4.48Å; F221-F326 HydrophobicContact CZ-CD1 4.39Å; F221-F326 HydrophobicContact CZ-CG 4.43Å |
| 222 | R | 98 | Very high | 92.4 | Very high | 59 Ų | 59 | 54.1 Ų | 54.1 | 22% | 0.223 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 129.2 | 169.5 | -176.5 | 179.8 | -70.9 | -165.5 | -3.1 | 109.1 | R208 E209 C325 | R208-R222 WeakPolarHBondContact O-CA 3.37Å; R208-R222 WeakPolarHBondContact O-CG 3.17Å; E209-R222 HydrophobicContact CG-CB 4.22Å; E209-R222 HydrophobicContact CG-CG 4.22Å; E209-R222 IonicContact OE1-CZ 2.93Å; E209-R222 VanDerWaalsContact OE1-CZ 3.28Å; E209-R222 IonicContact OE1-NE 2.87Å; E209-R222 PolarHBondContact OE1-NE 3.38Å; E209-R222 VanDerWaalsContact OE1-NE 3.12Å; E209-R222 IonicContact OE1-NH2 2.76Å; E209-R222 PolarHBondContact OE1-NH2 2.99Å; R222-C325 PolarHBondContact N-O 2.86Å; R222-C325 PolarHBondContact O-N 3.46Å |
| 223 | I | 96.6 | Very high | 92.3 | Very high | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 137.3 | 169.8 | -66.5 | 164.1 | 0 | 0 | 0 | 108.8 | L164 M165 N207 R208 F210 S225 V323 L324 | L164-I223 HydrophobicContact CB-CG2 4.04Å; L164-I223 HydrophobicContact CD1-CB 3.4Å; L164-I223 HydrophobicContact CD1-CG2 3.61Å; L164-I223 WeakPolarHBondContact CD1-O 3.41Å; L164-I223 HydrophobicContact CG-CG2 4.45Å; M165-I223 HydrophobicContact CE-CD1 3.83Å; M165-I223 HydrophobicContact CE-CG2 4.01Å; N207-I223 WeakPolarHBondContact CA-O 3.5Å; N207-I223 VanDerWaalsContact CB-O 3.3Å; N207-I223 WeakPolarHBondContact CB-O 3.49Å; R208-I223 PolarHBondContact N-O 3.38Å; R208-I223 PolarHBondContact O-N 2.75Å; F210-I223 HydrophobicContact CD1-CD1 4.42Å; F210-I223 HydrophobicContact CE1-CD1 3.49Å; F210-I223 VanDerWaalsContact CE1-CD1 3.49Å; F210-I223 HydrophobicContact CE1-CG1 3.87Å; F210-I223 HydrophobicContact CZ-CD1 4.13Å; I223-S225 WeakPolarHBondContact CG2-OG 3.36Å; I223-V323 CarbonylContact C-O 2.94Å; I223-V323 VanDerWaalsContact CA-O 3.25Å; I223-V323 WeakPolarHBondContact CA-O 3.29Å; I223-L324 HydrophobicContact CD1-CD1 4Å; I223-L324 HydrophobicContact CG1-CB 4.11Å; I223-L324 HydrophobicContact CG1-CD1 3.45Å; I223-L324 VanDerWaalsContact CG1-CD1 3.45Å; I223-L324 HydrophobicContact CG1-CG 4.39Å |
| 224 | I | 96.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 124.6 | 166.6 | -53 | -169.4 | 0 | 0 | 0 | 107.7 | V205 K206 N207 L239 V242 G322 V323 | V205-I224 HydrophobicContact CG1-CG2 3.86Å; K206-I224 WeakPolarHBondContact O-CA 3.26Å; N207-I224 HydrophobicContact CB-CB 4.36Å; N207-I224 HydrophobicContact CB-CG1 3.83Å; N207-I224 HydrophobicContact CB-CG2 4.5Å; I224-L239 HydrophobicContact CD1-CD1 3.6Å; I224-L239 HydrophobicContact CG1-CD1 4.25Å; I224-V242 HydrophobicContact CD1-CB 3.9Å; I224-V242 HydrophobicContact CD1-CG1 3.74Å; I224-V242 HydrophobicContact CD1-CG2 4.44Å; I224-G322 CarbonylContact O-C 3.55Å; I224-G322 WeakPolarHBondContact O-CA 3.49Å; I224-V323 PolarHBondContact N-O 2.93Å; I224-V323 PolarHBondContact O-N 2.84Å |
| 225 | S | 93.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 132.4 | -177.7 | -60.9 | 0 | 0 | 0 | 0 | 110.7 | L164 Q168 V205 K206 I223 A321 | L164-S225 WeakPolarHBondContact O-CB 3.45Å; L164-S225 PolarHBondContact O-OG 3.05Å; L164-S225 VanDerWaalsContact O-OG 3.06Å; Q168-S225 WeakPolarHBondContact CG-OG 3.47Å; Q168-S225 PolarHBondContact NE2-OG 2.65Å; V205-S225 CarbonylContact C-O 3.23Å; V205-S225 VanDerWaalsContact CA-O 3.23Å; V205-S225 WeakPolarHBondContact CA-O 3.08Å; V205-S225 WeakPolarHBondContact CG1-O 3.39Å; K206-S225 PolarHBondContact N-O 3Å; K206-S225 PolarHBondContact O-N 3.16Å; I223-S225 WeakPolarHBondContact CG2-OG 3.36Å; S225-A321 CarbonylContact C-O 3.6Å; S225-A321 VanDerWaalsContact CA-O 3.3Å; S225-A321 WeakPolarHBondContact CA-O 3.25Å |
| 226 | K | 91.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 128.7 | -173.1 | 177.2 | -164 | 71.8 | 71.7 | 0 | 109.3 | Y167 V205 A230 Q232 V234 Y238 K317 V319 G320 A321 | Y167-K226 CarbonylContact O-C 3.53Å; Y167-K226 PolarHBondContact O-N 2.92Å; Y167-K226 VanDerWaalsContact O-O 3.06Å; V205-K226 HydrophobicContact CG2-CB 3.99Å; V205-K226 HydrophobicContact CG2-CG 3.83Å; K226-A230 HydrophobicContact CD-CB 3.95Å; K226-A230 HydrophobicContact CG-CB 3.55Å; K226-Q232 WeakPolarHBondContact CD-O 3.48Å; K226-Q232 VanDerWaalsContact CE-O 3.24Å; K226-Q232 WeakPolarHBondContact CE-O 3.5Å; K226-V234 HydrophobicContact CB-CG2 4.23Å; K226-V234 HydrophobicContact CD-CB 4.18Å; K226-Y238 HydrophobicContact CD-CD2 4.06Å; K226-Y238 HydrophobicContact CD-CE2 3.77Å; K226-Y238 HydrophobicContact CG-CD2 4.37Å; K226-Y238 HydrophobicContact CG-CE2 4.04Å; K226-K317 PolarHBondContact NZ-O 3.1Å; K226-V319 PolarHBondContact NZ-O 3.2Å; K226-G320 CarbonylContact O-C 3.56Å; K226-G320 VanDerWaalsContact O-CA 3.23Å; K226-G320 WeakPolarHBondContact O-CA 3.36Å; K226-A321 HydrophobicContact CB-CB 4.5Å; K226-A321 PolarHBondContact N-O 3.25Å; K226-A321 PolarHBondContact O-N 2.84Å |
| 227 | L | 89.9 | Confident | 93.8 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | trans | -72.2 | 158 | 172.7 | -64.8 | 169 | 0 | 0 | 0 | 112.3 | Y167 D169 K200 Y204 V229 A230 | Y167-L227 HydrophobicContact CD1-CD1 4.05Å; Y167-L227 HydrophobicContact CD1-CG 3.98Å; Y167-L227 HydrophobicContact CE1-CD1 4.06Å; Y167-L227 HydrophobicContact CE1-CG 4.49Å; Y167-L227 HydrophobicContact CG-CG 4.42Å; Y167-L227 PolarHBondContact O-N 3.38Å; D169-L227 VanDerWaalsContact OD1-CD2 3.26Å; D169-L227 WeakPolarHBondContact OD1-CD2 3.44Å; K200-L227 HydrophobicContact CB-CD1 3.59Å; K200-L227 HydrophobicContact CD-CD1 3.77Å; K200-L227 HydrophobicContact CD-CD2 3.66Å; K200-L227 HydrophobicContact CD-CG 4.37Å; K200-L227 HydrophobicContact CG-CD1 4.28Å; Y204-L227 HydrophobicContact CD1-CD1 4.44Å; Y204-L227 PolarHBondContact O-N 3.03Å; L227-V229 VanDerWaalsContact C-N 3.28Å; L227-V229 HydrophobicContact CB-CG2 3.77Å; L227-V229 HydrophobicContact CD1-CG2 4.23Å; L227-V229 PolarHBondContact O-N 3.19Å; L227-A230 VanDerWaalsContact O-CB 3.3Å; L227-A230 WeakPolarHBondContact O-CB 3.2Å; L227-A230 PolarHBondContact O-N 2.7Å | ||
| 228 | N | 86.7 | Confident | 94.2 | Very high | 67 Ų | 67 | 37.8 Ų | 37.8 | 36% | 0.358 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -58 | -37.5 | 173.7 | 62.5 | 1.5 | 0 | 0 | 0 | 113.1 | D169 A230 R231 N318 | D169-N228 VanDerWaalsContact OD2-CB 3.28Å; D169-N228 WeakPolarHBondContact OD2-CB 3.41Å; D169-N228 PolarHBondContact OD2-N 3.14Å; D169-N228 PolarHBondContact OD2-OD1 2.99Å; N228-A230 PolarHBondContact O-N 3.11Å; N228-A230 VanDerWaalsContact O-N 3.15Å; N228-R231 PolarHBondContact O-N 3.17Å; N228-R231 VanDerWaalsContact O-N 3.13Å; N228-N318 WeakPolarHBondContact CB-O 3.4Å |
| 229 | V | 88.1 | Confident | 94.5 | Very high | 72 Ų | 72 | 35.2 Ų | 35.2 | 44% | 0.436 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -63.7 | -18.7 | 179.9 | -68.8 | 0 | 0 | 0 | 0 | 113.4 | Y204 L227 R231 | Y204-V229 HydrophobicContact CD1-CB 4.48Å; Y204-V229 HydrophobicContact CD1-CG2 3.38Å; Y204-V229 HydrophobicContact CE1-CG2 3.74Å; Y204-V229 HydrophobicContact CG-CG2 4.01Å; L227-V229 VanDerWaalsContact C-N 3.28Å; L227-V229 HydrophobicContact CB-CG2 3.77Å; L227-V229 HydrophobicContact CD1-CG2 4.23Å; L227-V229 PolarHBondContact O-N 3.19Å; V229-R231 VanDerWaalsContact C-N 3.25Å; V229-R231 PolarHBondContact O-N 2.92Å |
| 230 | A | 90.8 | Very high | 94.5 | Very high | 13 Ų | 13 | 34.1 Ų | 34.1 | 11% | 0.107 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -63 | -32.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | K226 L227 N228 Q232 | K226-A230 HydrophobicContact CD-CB 3.95Å; K226-A230 HydrophobicContact CG-CB 3.55Å; L227-A230 VanDerWaalsContact O-CB 3.3Å; L227-A230 WeakPolarHBondContact O-CB 3.2Å; L227-A230 PolarHBondContact O-N 2.7Å; N228-A230 PolarHBondContact O-N 3.11Å; N228-A230 VanDerWaalsContact O-N 3.15Å; A230-Q232 VanDerWaalsContact O-CG 3.3Å; A230-Q232 WeakPolarHBondContact O-CG 3.09Å; A230-Q232 PolarHBondContact O-N 3.5Å |
| 231 | R | 91.4 | Very high | 94.5 | Very high | 175 Ų | 175 | 31.8 Ų | 31.8 | 66% | 0.66 | 16% | 0.156 | S | C | * | . | trans | 51.6 | 35.7 | 178.6 | -58.6 | -173.4 | -179.2 | -171.2 | -0.1 | 114.9 | N228 V229 K317 | N228-R231 PolarHBondContact O-N 3.17Å; N228-R231 VanDerWaalsContact O-N 3.13Å; V229-R231 VanDerWaalsContact C-N 3.25Å; V229-R231 PolarHBondContact O-N 2.92Å; R231-K317 CarbonylContact C-O 3.5Å; R231-K317 WeakPolarHBondContact CA-O 3.32Å | ||
| 232 | Q | 93.8 | Very high | 94.5 | Very high | 87 Ų | 87 | 34.2 Ų | 34.2 | 41% | 0.407 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -130.9 | 155.6 | -176.2 | -69.4 | -64.1 | -21.2 | 0 | 0 | 111.8 | K226 A230 V234 T237 Y238 K317 | K226-Q232 WeakPolarHBondContact CD-O 3.48Å; K226-Q232 VanDerWaalsContact CE-O 3.24Å; K226-Q232 WeakPolarHBondContact CE-O 3.5Å; A230-Q232 VanDerWaalsContact O-CG 3.3Å; A230-Q232 WeakPolarHBondContact O-CG 3.09Å; A230-Q232 PolarHBondContact O-N 3.5Å; Q232-V234 PolarHBondContact O-N 2.89Å; Q232-T237 HydrophobicContact CB-CG2 4.02Å; Q232-T237 HydrophobicContact CG-CG2 4.13Å; Q232-Y238 HydrophobicContact CB-CE2 3.81Å; Q232-K317 PolarHBondContact N-O 2.97Å |
| 233 | D | 94.2 | Very high | 94.4 | Very high | 11 Ų | 11 | 32.3 Ų | 32.3 | 6% | 0.059 | 17% | 0.165 | C | C | . | . | trans | -67.6 | 116.4 | 172.2 | 171.7 | 18.9 | 0 | 0 | 0 | 109.8 | Y235 S236 T237 L259 R312 | D233-Y235 PolarHBondContact O-N 3.42Å; D233-Y235 WeakPolarHBondContact OD1-CD2 3.3Å; D233-Y235 PolarHBondContact OD1-N 3.26Å; D233-S236 VanDerWaalsContact OD2-CB 3.32Å; D233-S236 WeakPolarHBondContact OD2-CB 3.44Å; D233-S236 PolarHBondContact OD2-N 2.99Å; D233-S236 PolarHBondContact OD2-OG 3.26Å; D233-T237 WeakPolarHBondContact O-CB 3.19Å; D233-T237 PolarHBondContact O-N 2.89Å; D233-T237 PolarHBondContact O-OG1 3.32Å; D233-T237 VanDerWaalsContact O-OG1 3.09Å; D233-L259 HydrophobicContact CB-CD1 3.74Å; D233-R312 IonicContact OD1-NE 2.8Å; D233-R312 IonicContact OD2-CZ 3.36Å; D233-R312 IonicContact OD2-NE 3.34Å; D233-R312 PolarHBondContact OD2-NE 2.92Å; D233-R312 IonicContact OD2-NH2 3.58Å; D233-R312 PolarHBondContact OD2-NH2 2.87Å | ||
| 234 | V | 94.2 | Very high | 94.5 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.03 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -59.2 | -31.9 | -178 | 69.8 | 0 | 0 | 0 | 0 | 112.1 | K226 Q232 Y238 L239 A321 V323 | K226-V234 HydrophobicContact CB-CG2 4.23Å; K226-V234 HydrophobicContact CD-CB 4.18Å; Q232-V234 PolarHBondContact O-N 2.89Å; V234-Y238 PolarHBondContact O-N 2.49Å; V234-L239 WeakPolarHBondContact O-CB 3.24Å; V234-L239 PolarHBondContact O-N 3.03Å; V234-A321 HydrophobicContact CB-CB 4.11Å; V234-A321 HydrophobicContact CG1-CB 4.09Å; V234-A321 HydrophobicContact CG2-CB 4.32Å; V234-V323 HydrophobicContact CG1-CG2 4.05Å; V234-V323 HydrophobicContact CG2-CG2 4Å |
| 235 | Y | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -77.3 | -57.8 | -174.2 | -62.4 | -98.6 | 0 | 0 | 0 | 112.1 | D233 L239 A240 V249 A297 S308 A310 R312 | D233-Y235 PolarHBondContact O-N 3.42Å; D233-Y235 WeakPolarHBondContact OD1-CD2 3.3Å; D233-Y235 PolarHBondContact OD1-N 3.26Å; Y235-L239 HydrophobicContact CD1-CD2 3.66Å; Y235-L239 HydrophobicContact CE1-CD2 4.26Å; Y235-L239 HydrophobicContact CG-CD2 4.42Å; Y235-L239 WeakPolarHBondContact O-CB 3.41Å; Y235-L239 PolarHBondContact O-N 3.31Å; Y235-A240 PolarHBondContact O-N 2.81Å; Y235-V249 HydrophobicContact CD1-CB 4.43Å; Y235-V249 HydrophobicContact CD1-CG1 3.82Å; Y235-V249 HydrophobicContact CD1-CG2 3.67Å; Y235-V249 HydrophobicContact CE1-CG1 3.53Å; Y235-V249 HydrophobicContact CE1-CG2 4.17Å; Y235-V249 HydrophobicContact CE2-CG1 4.49Å; Y235-V249 HydrophobicContact CG-CG1 4.41Å; Y235-V249 HydrophobicContact CG-CG2 4.28Å; Y235-A297 HydrophobicContact CD1-CB 4.17Å; Y235-A297 HydrophobicContact CE1-CB 4.02Å; Y235-S308 WeakPolarHBondContact OH-CB 3.31Å; Y235-S308 PolarHBondContact OH-OG 3.09Å; Y235-A310 VanDerWaalsContact CE2-O 3.3Å; Y235-A310 WeakPolarHBondContact CE2-O 3.43Å; Y235-A310 PolarHBondContact OH-O 3.15Å; Y235-R312 HydrophobicContact CD1-CG 4.5Å; Y235-R312 HydrophobicContact CD2-CG 3.19Å; Y235-R312 HydrophobicContact CE2-CG 3.41Å; Y235-R312 VanDerWaalsContact CE2-CG 3.41Å; Y235-R312 HydrophobicContact CG-CG 3.76Å |
| 236 | S | 97.7 | Very high | 94.8 | Very high | 14 Ų | 14 | 44.6 Ų | 44.6 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -77.1 | -29.8 | -176.4 | 59.6 | 0 | 0 | 0 | 0 | 113.8 | D233 P241 | D233-S236 VanDerWaalsContact OD2-CB 3.32Å; D233-S236 WeakPolarHBondContact OD2-CB 3.44Å; D233-S236 PolarHBondContact OD2-N 2.99Å; D233-S236 PolarHBondContact OD2-OG 3.26Å; S236-P241 WeakPolarHBondContact O-CD 3.45Å; S236-P241 WeakPolarHBondContact O-CG 3.02Å |
| 237 | T | 97 | Very high | 95.2 | Very high | 50 Ų | 50 | 44.5 Ų | 44.5 | 31% | 0.307 | 22% | 0.219 | S | C | . | . | I | π-helix | trans | -87.4 | -35.4 | -175.2 | -50.8 | 0 | 0 | 0 | 0 | 112.4 | Q232 D233 | Q232-T237 HydrophobicContact CB-CG2 4.02Å; Q232-T237 HydrophobicContact CG-CG2 4.13Å; D233-T237 WeakPolarHBondContact O-CB 3.19Å; D233-T237 PolarHBondContact O-N 2.89Å; D233-T237 PolarHBondContact O-OG1 3.32Å; D233-T237 VanDerWaalsContact O-OG1 3.09Å |
| 238 | Y | 96.3 | Very high | 95.6 | Very high | 53 Ų | 53 | 44.4 Ų | 44.4 | 21% | 0.208 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -120.6 | -53.2 | -173.2 | -55.9 | -67.8 | 0 | 0 | 0 | 112.5 | V205 K226 Q232 V234 P241 V242 | V205-Y238 HydrophobicContact CB-CD1 4.2Å; V205-Y238 HydrophobicContact CB-CE1 4.19Å; V205-Y238 HydrophobicContact CG1-CD1 4.08Å; V205-Y238 HydrophobicContact CG1-CG 4.07Å; V205-Y238 HydrophobicContact CG2-CD1 3.8Å; V205-Y238 HydrophobicContact CG2-CD2 3.84Å; V205-Y238 HydrophobicContact CG2-CE1 3.5Å; V205-Y238 HydrophobicContact CG2-CE2 3.56Å; V205-Y238 HydrophobicContact CG2-CG 3.96Å; K226-Y238 HydrophobicContact CD-CD2 4.06Å; K226-Y238 HydrophobicContact CD-CE2 3.77Å; K226-Y238 HydrophobicContact CG-CD2 4.37Å; K226-Y238 HydrophobicContact CG-CE2 4.04Å; Q232-Y238 HydrophobicContact CB-CE2 3.81Å; V234-Y238 PolarHBondContact O-N 2.49Å; Y238-P241 WeakPolarHBondContact O-CD 3.49Å; Y238-V242 WeakPolarHBondContact O-CB 3.4Å; Y238-V242 WeakPolarHBondContact O-CG2 3.24Å; Y238-V242 PolarHBondContact O-N 2.95Å |
| 239 | L | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -61.9 | -57.9 | -172.9 | -169 | 66.5 | 0 | 0 | 0 | 112.7 | I224 V234 Y235 V242 L243 L247 A297 V323 | I224-L239 HydrophobicContact CD1-CD1 3.6Å; I224-L239 HydrophobicContact CG1-CD1 4.25Å; V234-L239 WeakPolarHBondContact O-CB 3.24Å; V234-L239 PolarHBondContact O-N 3.03Å; Y235-L239 HydrophobicContact CD1-CD2 3.66Å; Y235-L239 HydrophobicContact CE1-CD2 4.26Å; Y235-L239 HydrophobicContact CG-CD2 4.42Å; Y235-L239 WeakPolarHBondContact O-CB 3.41Å; Y235-L239 PolarHBondContact O-N 3.31Å; L239-V242 PolarHBondContact O-N 2.87Å; L239-L243 HydrophobicContact CD1-CD1 3.55Å; L239-L243 HydrophobicContact CD1-CG 4.22Å; L239-L243 HydrophobicContact CG-CD1 3.83Å; L239-L243 VanDerWaalsContact O-CB 3.29Å; L239-L243 WeakPolarHBondContact O-CB 3.35Å; L239-L243 VanDerWaalsContact O-CG 3.25Å; L239-L243 WeakPolarHBondContact O-CG 3.29Å; L239-L243 PolarHBondContact O-N 3.17Å; L239-L247 HydrophobicContact CB-CD1 4.16Å; L239-L247 HydrophobicContact CD2-CD1 3.54Å; L239-L247 HydrophobicContact CG-CD1 3.67Å; L239-A297 HydrophobicContact CD2-CB 4.35Å; L239-V323 HydrophobicContact CD1-CB 4.14Å; L239-V323 HydrophobicContact CD1-CG1 3.82Å; L239-V323 HydrophobicContact CD2-CG1 3.85Å; L239-V323 HydrophobicContact CD2-CG2 4.46Å; L239-V323 HydrophobicContact CG-CG1 4.5Å |
| 240 | A | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.9 | -44 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y235 K244 R245 L247 V269 | Y235-A240 PolarHBondContact O-N 2.81Å; A240-K244 VanDerWaalsContact O-CA 3.31Å; A240-K244 WeakPolarHBondContact O-CA 3.48Å; A240-K244 PolarHBondContact O-N 2.95Å; A240-R245 WeakPolarHBondContact CB-O 3.49Å; A240-R245 PolarHBondContact O-N 2.92Å; A240-R245 VanDerWaalsContact O-N 3.16Å; A240-L247 HydrophobicContact CB-CD1 3.86Å; A240-L247 HydrophobicContact CB-CG 4.06Å; A240-V269 HydrophobicContact CB-CG2 3.66Å |
| 241 | P | 97.6 | Very high | 96.5 | Very high | 51 Ų | 51 | 37.2 Ų | 37.2 | 33% | 0.331 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.8 | -42.8 | 174.1 | -27.4 | 38.5 | 0 | 0 | 0 | 115.2 | S236 Y238 K244 | S236-P241 WeakPolarHBondContact O-CD 3.45Å; S236-P241 WeakPolarHBondContact O-CG 3.02Å; Y238-P241 WeakPolarHBondContact O-CD 3.49Å; P241-K244 WeakPolarHBondContact O-CG 3.33Å; P241-K244 PolarHBondContact O-N 2.89Å |
| 242 | V | 96.9 | Very high | 96 | Very high | 51 Ų | 51 | 30 Ų | 30 | 31% | 0.309 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -67.9 | -40 | -179.7 | 166.8 | 0 | 0 | 0 | 0 | 111.2 | I224 Y238 L239 K244 | I224-V242 HydrophobicContact CD1-CB 3.9Å; I224-V242 HydrophobicContact CD1-CG1 3.74Å; I224-V242 HydrophobicContact CD1-CG2 4.44Å; Y238-V242 WeakPolarHBondContact O-CB 3.4Å; Y238-V242 WeakPolarHBondContact O-CG2 3.24Å; Y238-V242 PolarHBondContact O-N 2.95Å; L239-V242 PolarHBondContact O-N 2.87Å; V242-K244 VanDerWaalsContact C-N 3.31Å |
| 243 | L | 97.4 | Very high | 95.2 | Very high | 19 Ų | 19 | 31.8 Ų | 31.8 | 10% | 0.099 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -80.8 | -15.2 | 177.6 | -61.9 | -180 | 0 | 0 | 0 | 112.9 | L239 R245 L304 | L239-L243 HydrophobicContact CD1-CD1 3.55Å; L239-L243 HydrophobicContact CD1-CG 4.22Å; L239-L243 HydrophobicContact CG-CD1 3.83Å; L239-L243 VanDerWaalsContact O-CB 3.29Å; L239-L243 WeakPolarHBondContact O-CB 3.35Å; L239-L243 VanDerWaalsContact O-CG 3.25Å; L239-L243 WeakPolarHBondContact O-CG 3.29Å; L239-L243 PolarHBondContact O-N 3.17Å; L243-R245 VanDerWaalsContact C-N 3.31Å; L243-R245 HydrophobicContact CB-CB 4.44Å; L243-R245 WeakPolarHBondContact O-CG 3.18Å; L243-R245 PolarHBondContact O-N 3.2Å; L243-L304 HydrophobicContact CD1-CD1 4.32Å; L243-L304 HydrophobicContact CD1-CD2 3.46Å; L243-L304 VanDerWaalsContact CD1-CD2 3.46Å; L243-L304 HydrophobicContact CD1-CG 4.49Å |
| 244 | K | 97.7 | Very high | 94 | Very high | 149 Ų | 149 | 34.6 Ų | 34.6 | 65% | 0.648 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 43.1 | -175.1 | -61.7 | -178.5 | -178.8 | 175.9 | 0 | 112.5 | A240 P241 V242 Y267 | A240-K244 VanDerWaalsContact O-CA 3.31Å; A240-K244 WeakPolarHBondContact O-CA 3.48Å; A240-K244 PolarHBondContact O-N 2.95Å; P241-K244 WeakPolarHBondContact O-CG 3.33Å; P241-K244 PolarHBondContact O-N 2.89Å; V242-K244 VanDerWaalsContact C-N 3.31Å; K244-Y267 VanDerWaalsContact CA-CE1 3.41Å; K244-Y267 VanDerWaalsContact CA-CZ 3.42Å; K244-Y267 HydrophobicContact CB-CE1 3.77Å; K244-Y267 HydrophobicContact CB-CE2 4.13Å; K244-Y267 VanDerWaalsContact CB-CZ 3.49Å; K244-Y267 WeakPolarHBondContact CB-OH 3.45Å; K244-Y267 HydrophobicContact CG-CE2 4.1Å; K244-Y267 WeakPolarHBondContact CG-OH 3.36Å; K244-Y267 WeakPolarHBondContact O-CE1 3.33Å |
| 245 | R | 98.2 | Very high | 92.9 | Very high | 58 Ų | 58 | 38.4 Ų | 38.4 | 22% | 0.219 | 20% | 0.195 | C | C | . | . | trans | -135.5 | 143.1 | -173.9 | -70.6 | 173 | -162.8 | -137.1 | 9.8 | 111.4 | A240 L243 L247 S302 D303 | A240-R245 WeakPolarHBondContact CB-O 3.49Å; A240-R245 PolarHBondContact O-N 2.92Å; A240-R245 VanDerWaalsContact O-N 3.16Å; L243-R245 VanDerWaalsContact C-N 3.31Å; L243-R245 HydrophobicContact CB-CB 4.44Å; L243-R245 WeakPolarHBondContact O-CG 3.18Å; L243-R245 PolarHBondContact O-N 3.2Å; R245-L247 HydrophobicContact CB-CD2 4.08Å; R245-S302 PolarHBondContact NH1-OG 2.84Å; R245-D303 IonicContact NH1-OD1 3.49Å; R245-D303 PolarHBondContact NH1-OD1 3.3Å | ||
| 246 | N | 98.5 | Very high | 92.3 | Very high | 57 Ų | 57 | 39 Ų | 39 | 31% | 0.305 | 20% | 0.2 | S | C | . | . | trans | -72.6 | 133.9 | 165.3 | -62.4 | -41.3 | 0 | 0 | 0 | 108.4 | Y267 K268 S299 K300 | N246-Y267 WeakPolarHBondContact OD1-CA 3.46Å; N246-K268 CarbonylContact C-O 3.41Å; N246-K268 WeakPolarHBondContact CA-O 3.23Å; N246-K268 PolarHBondContact OD1-N 2.03Å; N246-S299 CarbonylContact O-C 3.49Å; N246-S299 WeakPolarHBondContact O-CA 3.36Å; N246-K300 HydrophobicContact CB-CB 4.13Å; N246-K300 PolarHBondContact O-N 3.3Å | ||
| 247 | L | 98.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 146.8 | -173.5 | -56.6 | -178.8 | 0 | 0 | 0 | 112.1 | L239 A240 R245 V249 K268 V269 E270 I298 L304 | L239-L247 HydrophobicContact CB-CD1 4.16Å; L239-L247 HydrophobicContact CD2-CD1 3.54Å; L239-L247 HydrophobicContact CG-CD1 3.67Å; A240-L247 HydrophobicContact CB-CD1 3.86Å; A240-L247 HydrophobicContact CB-CG 4.06Å; R245-L247 HydrophobicContact CB-CD2 4.08Å; L247-V249 HydrophobicContact CB-CG2 4.35Å; L247-K268 PolarHBondContact N-O 2.93Å; L247-V269 HydrophobicContact CB-CG2 4.39Å; L247-V269 WeakPolarHBondContact O-CA 3.19Å; L247-E270 PolarHBondContact O-N 3.46Å; L247-I298 CarbonylContact C-O 3.08Å; L247-I298 WeakPolarHBondContact CA-O 3.37Å; L247-L304 HydrophobicContact CD2-CD2 4.12Å |
| 248 | L | 98.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 130.5 | 164.2 | -52.1 | -178.7 | 0 | 0 | 0 | 107.6 | E270 V272 A297 I298 K300 K336 A339 L344 | L248-E270 CarbonylContact C-O 3.55Å; L248-E270 WeakPolarHBondContact CA-O 3.4Å; L248-E270 HydrophobicContact CD2-CB 3.95Å; L248-V272 HydrophobicContact CB-CG2 4.13Å; L248-A297 CarbonylContact O-C 3.57Å; L248-A297 WeakPolarHBondContact O-CA 3.35Å; L248-I298 HydrophobicContact CB-CG1 3.88Å; L248-I298 HydrophobicContact CD1-CD1 4.16Å; L248-I298 HydrophobicContact CD1-CG1 4.31Å; L248-I298 HydrophobicContact CG-CG1 4.38Å; L248-I298 PolarHBondContact N-O 2.94Å; L248-I298 PolarHBondContact O-N 2.93Å; L248-K300 HydrophobicContact CD1-CG 4.49Å; L248-K300 HydrophobicContact CD2-CB 4.36Å; L248-K300 HydrophobicContact CD2-CD 4.22Å; L248-K300 HydrophobicContact CD2-CG 4.16Å; L248-K300 HydrophobicContact CG-CB 4.28Å; L248-K300 HydrophobicContact CG-CG 4.37Å; L248-K336 HydrophobicContact CD1-CD 4.24Å; L248-A339 HydrophobicContact CD1-CB 4.25Å; L248-L344 HydrophobicContact CD1-CD1 4.08Å; L248-L344 HydrophobicContact CD1-CD2 4.08Å; L248-L344 HydrophobicContact CD2-CD1 3.61Å; L248-L344 HydrophobicContact CD2-CD2 4.04Å; L248-L344 HydrophobicContact CD2-CG 4.44Å; L248-L344 HydrophobicContact CG-CD1 4.49Å; L248-L344 HydrophobicContact CG-CD2 4.45Å |
| 249 | V | 97.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 123.6 | -173.5 | -174.2 | 0 | 0 | 0 | 0 | 111 | Y235 L247 V269 E270 V272 A297 R312 | Y235-V249 HydrophobicContact CD1-CB 4.43Å; Y235-V249 HydrophobicContact CD1-CG1 3.82Å; Y235-V249 HydrophobicContact CD1-CG2 3.67Å; Y235-V249 HydrophobicContact CE1-CG1 3.53Å; Y235-V249 HydrophobicContact CE1-CG2 4.17Å; Y235-V249 HydrophobicContact CE2-CG1 4.49Å; Y235-V249 HydrophobicContact CG-CG1 4.41Å; Y235-V249 HydrophobicContact CG-CG2 4.28Å; L247-V249 HydrophobicContact CB-CG2 4.35Å; V249-V269 HydrophobicContact CG2-CG1 3.54Å; V249-E270 PolarHBondContact N-O 2.61Å; V249-V272 PolarHBondContact O-N 2.73Å; V249-A297 HydrophobicContact CG2-CB 3.94Å; V249-R312 HydrophobicContact CG1-CG 3.94Å |
| 250 | W | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 119.9 | 167.4 | 178.5 | -114.3 | 0 | 0 | 0 | 109.3 | V272 N273 I277 R289 D292 W296 | W250-V272 HydrophobicContact CE3-CB 4.02Å; W250-V272 HydrophobicContact CE3-CG1 3.75Å; W250-V272 HydrophobicContact CZ3-CG1 4.17Å; W250-N273 WeakPolarHBondContact CZ3-O 3.37Å; W250-I277 HydrophobicContact CD2-CG2 4.17Å; W250-I277 HydrophobicContact CE3-CG2 3.88Å; W250-I277 HydrophobicContact CH2-CB 4.4Å; W250-I277 HydrophobicContact CH2-CG1 4.11Å; W250-I277 HydrophobicContact CH2-CG2 3.74Å; W250-I277 HydrophobicContact CZ2-CB 4.43Å; W250-I277 HydrophobicContact CZ2-CD1 3.9Å; W250-I277 HydrophobicContact CZ2-CG1 3.72Å; W250-I277 HydrophobicContact CZ2-CG2 3.99Å; W250-I277 HydrophobicContact CZ3-CG2 3.67Å; W250-R289 HydrophobicContact CH2-CB 3.76Å; W250-R289 HydrophobicContact CH2-CG 4.18Å; W250-R289 HydrophobicContact CZ2-CB 3.87Å; W250-R289 HydrophobicContact CZ2-CG 4.05Å; W250-D292 PolarHBondContact NE1-OD2 2.71Å; W250-W296 HydrophobicContact CB-CD2 3.53Å; W250-W296 HydrophobicContact CB-CE3 3.93Å; W250-W296 HydrophobicContact CB-CG 4.11Å; W250-W296 HydrophobicContact CB-CH2 3.8Å; W250-W296 HydrophobicContact CB-CZ2 3.38Å; W250-W296 HydrophobicContact CB-CZ3 4.05Å; W250-W296 AromaticContact CD1-CD1 3.65Å; W250-W296 AromaticContact CD1-CE2 3.65Å; W250-W296 AromaticContact CD1-NE1 3.12Å; W250-W296 HydrophobicContact CD2-CZ2 4.32Å; W250-W296 HydrophobicContact CG-CD2 4.27Å; W250-W296 AromaticContact CG-CE2 3.54Å; W250-W296 HydrophobicContact CG-CH2 4.5Å; W250-W296 AromaticContact CG-CZ2 3.68Å; W250-W296 HydrophobicContact CG-CZ2 3.68Å; W250-W296 AromaticContact CG-NE1 3.54Å; W250-W296 PolarHBondContact N-O 2.97Å; W250-W296 AromaticContact NE1-NE1 3.9Å; W250-W296 PolarHBondContact O-N 2.8Å |
| 251 | S | 91.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | trans | -158 | 156.6 | -174.8 | -175.2 | 0 | 0 | 0 | 0 | 110.8 | R289 D311 R312 | S251-R289 VanDerWaalsContact C-NE 3.3Å; S251-D311 VanDerWaalsContact CA-OD1 3.22Å; S251-D311 WeakPolarHBondContact CA-OD1 3.16Å; S251-D311 WeakPolarHBondContact CB-OD1 3.46Å; S251-D311 WeakPolarHBondContact OG-CA 3.44Å; S251-D311 WeakPolarHBondContact OG-CB 3.46Å; S251-D311 PolarHBondContact OG-OD1 3.5Å; S251-R312 PolarHBondContact OG-N 2.81Å | ||
| 252 | E | 81.5 | Confident | 91.4 | Very high | 22 Ų | 22 | 46.8 Ų | 46.8 | 10% | 0.103 | 24% | 0.239 | C | C | . | . | trans | -110.9 | 142 | -176.1 | -179.9 | 174 | -162.7 | 0 | 0 | 113.1 | R254 R289 D311 T313 | E252-R254 VanDerWaalsContact C-N 3.31Å; E252-R254 HydrophobicContact CB-CG 4.08Å; E252-R254 HydrophobicContact CG-CB 4.28Å; E252-R254 HydrophobicContact CG-CG 3.45Å; E252-R254 VanDerWaalsContact CG-CG 3.45Å; E252-R254 PolarHBondContact O-N 3Å; E252-R254 WeakPolarHBondContact OE2-CG 3.27Å; E252-R254 IonicContact OE2-CZ 2.77Å; E252-R254 IonicContact OE2-NE 3.97Å; E252-R254 PolarHBondContact OE2-NE 3.05Å; E252-R254 IonicContact OE2-NH2 3.4Å; E252-R289 HydrophobicContact CB-CG 3.77Å; E252-R289 HydrophobicContact CG-CG 4.01Å; E252-R289 IonicContact OE2-CZ 3.05Å; E252-R289 IonicContact OE2-NH1 3.42Å; E252-R289 PolarHBondContact OE2-NH1 3.22Å; E252-R289 IonicContact OE2-NH2 2.68Å; E252-R289 PolarHBondContact OE2-NH2 2.8Å; E252-D311 PolarHBondContact N-OD1 3.31Å; E252-T313 VanDerWaalsContact O-CG2 3.25Å; E252-T313 WeakPolarHBondContact O-CG2 3.35Å | ||
| 253 | Q | 75.4 | Confident | 91.4 | Very high | 126 Ų | 126 | 46.5 Ų | 46.5 | 59% | 0.589 | 24% | 0.238 | S | C | * | . | trans | -79.3 | 82.4 | 158.4 | -170.6 | 179.2 | -33 | 0 | 0 | 107.9 | A256 L258 | Q253-A256 WeakPolarHBondContact CG-O 3.46Å; Q253-L258 HydrophobicContact CB-CB 4.11Å; Q253-L258 HydrophobicContact CG-CB 4.48Å | ||
| 254 | R | 70.3 | Confident | 91.3 | Very high | 69 Ų | 69 | 52 Ų | 52 | 26% | 0.26 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -75.3 | -103.3 | 176.1 | -76.2 | -169.1 | -175.4 | 174.6 | 12.4 | 109.9 | E252 A256 T293 | E252-R254 VanDerWaalsContact C-N 3.31Å; E252-R254 HydrophobicContact CB-CG 4.08Å; E252-R254 HydrophobicContact CG-CB 4.28Å; E252-R254 HydrophobicContact CG-CG 3.45Å; E252-R254 VanDerWaalsContact CG-CG 3.45Å; E252-R254 PolarHBondContact O-N 3Å; E252-R254 WeakPolarHBondContact OE2-CG 3.27Å; E252-R254 IonicContact OE2-CZ 2.77Å; E252-R254 IonicContact OE2-NE 3.97Å; E252-R254 PolarHBondContact OE2-NE 3.05Å; E252-R254 IonicContact OE2-NH2 3.4Å; R254-A256 VanDerWaalsContact C-N 3.3Å; R254-T293 VanDerWaalsContact NH2-CA 3.3Å; R254-T293 PolarHBondContact NH2-O 3.09Å |
| 255 | S | 71.4 | Confident | 91.1 | Very high | 86 Ų | 86 | 47 Ų | 47 | 60% | 0.601 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -85.8 | -2.7 | 179.2 | 54.8 | 0 | 0 | 0 | 0 | 112.9 | ||
| 256 | A | 83.4 | Confident | 91 | Very high | 12 Ų | 12 | 52.7 Ų | 52.7 | 10% | 0.099 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -142.6 | 152.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q253 R254 L258 T313 L315 | Q253-A256 WeakPolarHBondContact CG-O 3.46Å; R254-A256 VanDerWaalsContact C-N 3.3Å; A256-L258 PolarHBondContact O-N 3.44Å; A256-T313 HydrophobicContact CB-CG2 4.39Å; A256-L315 HydrophobicContact CB-CB 3.76Å; A256-L315 HydrophobicContact CB-CD1 3.65Å; A256-L315 HydrophobicContact CB-CG 3.49Å; A256-L315 VanDerWaalsContact CB-CG 3.49Å |
| 257 | K | 90.5 | Very high | 91 | Very high | 145 Ų | 145 | 52.3 Ų | 52.3 | 63% | 0.63 | 28% | 0.278 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 128 | 177.3 | -175.6 | 180 | 177 | -177.1 | 0 | 110.9 | T313 E314 | K257-T313 WeakPolarHBondContact O-CA 3.17Å; K257-T313 WeakPolarHBondContact O-CB 3.19Å; K257-E314 HydrophobicContact CB-CG 4.3Å; K257-E314 PolarHBondContact O-N 2.83Å |
| 258 | L | 92.9 | Very high | 91 | Very high | 17 Ų | 17 | 56.1 Ų | 56.1 | 9% | 0.089 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -66.3 | 134.6 | 171.4 | -171.6 | 74.6 | 0 | 0 | 0 | 109.7 | Q253 A256 P274 R312 | Q253-L258 HydrophobicContact CB-CB 4.11Å; Q253-L258 HydrophobicContact CG-CB 4.48Å; A256-L258 PolarHBondContact O-N 3.44Å; L258-P274 HydrophobicContact CD2-CG 4.16Å; L258-R312 HydrophobicContact CD1-CB 4.27Å; L258-R312 WeakPolarHBondContact CD1-O 3.36Å |
| 259 | L | 94.8 | Very high | 91 | Very high | 15 Ų | 15 | 56.1 Ų | 56.1 | 8% | 0.079 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 138.7 | 173.8 | -62.8 | 174.8 | 0 | 0 | 0 | 109.5 | D233 N271 R312 E314 K317 | D233-L259 HydrophobicContact CB-CD1 3.74Å; L259-N271 PolarHBondContact O-ND2 3.31Å; L259-R312 WeakPolarHBondContact CB-O 3.48Å; L259-R312 WeakPolarHBondContact CG-O 3.31Å; L259-R312 PolarHBondContact N-O 2.89Å; L259-E314 HydrophobicContact CD2-CG 4.07Å; L259-E314 WeakPolarHBondContact CD2-OE1 3.3Å; L259-K317 HydrophobicContact CD1-CD 4.47Å; L259-K317 HydrophobicContact CD1-CG 4.42Å |
| 260 | P | 94.7 | Very high | 91 | Very high | 93 Ų | 93 | 56.3 Ų | 56.3 | 60% | 0.604 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 162.7 | 174 | 28.3 | -34.5 | 0 | 0 | 0 | 111 | N262 R312 | P260-N262 PolarHBondContact O-N 2.89Å; P260-R312 PolarHBondContact O-NH1 2.64Å; P260-R312 PolarHBondContact O-NH2 2.8Å |
| 261 | S | 96.6 | Very high | 91 | Very high | 22 Ų | 22 | 56.3 Ų | 56.3 | 15% | 0.154 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 133 | 167.5 | -63.4 | 0 | 0 | 0 | 0 | 110.3 | V269 E270 N271 Q345 | S261-V269 CarbonylContact C-O 3.51Å; S261-V269 VanDerWaalsContact CA-O 3.24Å; S261-V269 WeakPolarHBondContact CA-O 3.45Å; S261-E270 WeakPolarHBondContact OG-CA 3.06Å; S261-N271 PolarHBondContact OG-N 2.99Å; S261-Q345 WeakPolarHBondContact CB-O 3.26Å; S261-Q345 PolarHBondContact OG-O 2.84Å |
| 262 | N | 97.2 | Very high | 91.3 | Very high | 39 Ų | 39 | 56.3 Ų | 56.3 | 21% | 0.209 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -89.6 | 107.1 | 176.7 | -173.4 | -82.1 | 0 | 0 | 0 | 109.5 | P260 S265 K268 V269 | P260-N262 PolarHBondContact O-N 2.89Å; N262-S265 WeakPolarHBondContact OD1-CB 3.35Å; N262-S265 PolarHBondContact OD1-N 2.62Å; N262-S265 PolarHBondContact OD1-OG 3.34Å; N262-K268 VanDerWaalsContact O-CA 3.32Å; N262-K268 WeakPolarHBondContact O-CA 3.18Å; N262-V269 HydrophobicContact CB-CB 4.31Å; N262-V269 PolarHBondContact N-O 3.39Å; N262-V269 PolarHBondContact O-N 3.29Å |
| 263 | C | 96.7 | Very high | 91.8 | Very high | 45 Ų | 45 | 57.3 Ų | 57.3 | 30% | 0.304 | 30% | 0.301 | S | S | . | . | trans | -111.1 | -9.7 | -169 | -58.6 | 0 | 0 | 0 | 0 | 114.7 | K268 C347 | C263-K268 WeakPolarHBondContact O-CE 3.19Å; C263-C347 WeakPolarHBondContact CA-SG 3.03Å; C263-C347 HydrophobicContact CB-CB 3.56Å; C263-C347 WeakPolarHBondContact CB-SG 3.42Å; C263-C347 WeakPolarHBondContact SG-CA 3.46Å; C263-C347 WeakPolarHBondContact SG-CB 3.3Å; C263-C347 CovalentContact SG-SG 2.03Å; C263-C347 PolarHBondContact SG-SG 3.33Å | ||
| 264 | T | 94.6 | Very high | 92.3 | Very high | 135 Ų | 135 | 53 Ų | 53 | 83% | 0.828 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -97.5 | -22.9 | -173.8 | 54 | 0 | 0 | 0 | 0 | 113 | ||
| 265 | S | 94.4 | Very high | 93.3 | Very high | 45 Ų | 45 | 56.6 Ų | 56.6 | 32% | 0.315 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -70.7 | 154.8 | 177.3 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | N262 Y267 | N262-S265 WeakPolarHBondContact OD1-CB 3.35Å; N262-S265 PolarHBondContact OD1-N 2.62Å; N262-S265 PolarHBondContact OD1-OG 3.34Å; S265-Y267 PolarHBondContact O-N 2.69Å |
| 266 | K | 96.7 | Very high | 94.5 | Very high | 176 Ų | 176 | 56.8 Ų | 56.8 | 77% | 0.765 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -51.3 | -38.7 | 174.4 | 179.5 | 176.4 | 179.7 | 176.4 | 0 | 112.7 | ||
| 267 | Y | 98.1 | Very high | 95.1 | Very high | 49 Ų | 49 | 56.2 Ų | 56.2 | 19% | 0.192 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -112 | 112.7 | 173.5 | -56.9 | -70.8 | 0 | 0 | 0 | 108.4 | K244 N246 S265 | K244-Y267 VanDerWaalsContact CA-CE1 3.41Å; K244-Y267 VanDerWaalsContact CA-CZ 3.42Å; K244-Y267 HydrophobicContact CB-CE1 3.77Å; K244-Y267 HydrophobicContact CB-CE2 4.13Å; K244-Y267 VanDerWaalsContact CB-CZ 3.49Å; K244-Y267 WeakPolarHBondContact CB-OH 3.45Å; K244-Y267 HydrophobicContact CG-CE2 4.1Å; K244-Y267 WeakPolarHBondContact CG-OH 3.36Å; K244-Y267 WeakPolarHBondContact O-CE1 3.33Å; N246-Y267 WeakPolarHBondContact OD1-CA 3.46Å; S265-Y267 PolarHBondContact O-N 2.69Å |
| 268 | K | 98.1 | Very high | 95.3 | Very high | 81 Ų | 81 | 50 Ų | 50 | 35% | 0.352 | 26% | 0.263 | S | S | . | . | trans | -79 | 147.9 | -175.2 | -60.3 | -176.3 | 179.5 | -174.9 | 0 | 111 | N246 L247 N262 C263 C347 | N246-K268 CarbonylContact C-O 3.41Å; N246-K268 WeakPolarHBondContact CA-O 3.23Å; N246-K268 PolarHBondContact OD1-N 2.03Å; L247-K268 PolarHBondContact N-O 2.93Å; N262-K268 VanDerWaalsContact O-CA 3.32Å; N262-K268 WeakPolarHBondContact O-CA 3.18Å; C263-K268 WeakPolarHBondContact O-CE 3.19Å; K268-C347 HydrophobicContact CD-CB 4.09Å | ||
| 269 | V | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 111.1 | 173 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | A240 L247 V249 S261 N262 | A240-V269 HydrophobicContact CB-CG2 3.66Å; L247-V269 HydrophobicContact CB-CG2 4.39Å; L247-V269 WeakPolarHBondContact O-CA 3.19Å; V249-V269 HydrophobicContact CG2-CG1 3.54Å; S261-V269 CarbonylContact C-O 3.51Å; S261-V269 VanDerWaalsContact CA-O 3.24Å; S261-V269 WeakPolarHBondContact CA-O 3.45Å; N262-V269 HydrophobicContact CB-CB 4.31Å; N262-V269 PolarHBondContact N-O 3.39Å; N262-V269 PolarHBondContact O-N 3.29Å |
| 270 | E | 97.8 | Very high | 95.1 | Very high | 3 Ų | 3 | 53 Ų | 53 | 1% | 0.014 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 136 | 180 | -67.7 | 168.3 | 109.4 | 0 | 0 | 110 | L247 L248 V249 S261 K300 S346 C347 | L247-E270 PolarHBondContact O-N 3.46Å; L248-E270 CarbonylContact C-O 3.55Å; L248-E270 WeakPolarHBondContact CA-O 3.4Å; L248-E270 HydrophobicContact CD2-CB 3.95Å; V249-E270 PolarHBondContact N-O 2.61Å; S261-E270 WeakPolarHBondContact OG-CA 3.06Å; E270-K300 IonicContact OE1-NZ 2.64Å; E270-K300 PolarHBondContact OE1-NZ 3.15Å; E270-K300 WeakPolarHBondContact OE2-CD 3.46Å; E270-K300 WeakPolarHBondContact OE2-CE 3.34Å; E270-K300 IonicContact OE2-NZ 2.73Å; E270-K300 PolarHBondContact OE2-NZ 2.97Å; E270-S346 WeakPolarHBondContact OE1-CA 3.42Å; E270-S346 WeakPolarHBondContact OE1-CB 3.43Å; E270-S346 PolarHBondContact OE1-OG 2.82Å; E270-C347 HydrophobicContact CG-CB 4.3Å; E270-C347 VanDerWaalsContact CG-SG 3.59Å; E270-C347 PolarHBondContact OE1-N 3.27Å |
| 271 | N | 96.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 134.9 | 172.6 | -63.6 | -33.4 | 0 | 0 | 0 | 109.8 | L259 S261 R312 L344 Q345 | L259-N271 PolarHBondContact O-ND2 3.31Å; S261-N271 PolarHBondContact OG-N 2.99Å; N271-R312 PolarHBondContact OD1-NH1 3.22Å; N271-L344 WeakPolarHBondContact O-CA 3.35Å; N271-Q345 HydrophobicContact CB-CB 4.2Å; N271-Q345 HydrophobicContact CB-CG 4.34Å; N271-Q345 PolarHBondContact ND2-OE1 2.86Å; N271-Q345 PolarHBondContact O-N 3.23Å |
| 272 | V | 97.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 138 | 157.1 | -179.4 | 0 | 0 | 0 | 0 | 107.1 | L248 V249 W250 P274 W296 A339 A342 L344 | L248-V272 HydrophobicContact CB-CG2 4.13Å; V249-V272 PolarHBondContact O-N 2.73Å; W250-V272 HydrophobicContact CE3-CB 4.02Å; W250-V272 HydrophobicContact CE3-CG1 3.75Å; W250-V272 HydrophobicContact CZ3-CG1 4.17Å; V272-P274 WeakPolarHBondContact O-CD 3.25Å; V272-P274 VanDerWaalsContact O-N 3.09Å; V272-W296 HydrophobicContact CG2-CH2 4.31Å; V272-W296 HydrophobicContact CG2-CZ3 4.49Å; V272-A339 HydrophobicContact CG1-CB 4.38Å; V272-A339 HydrophobicContact CG2-CB 3.75Å; V272-A342 HydrophobicContact CG1-CB 3.65Å; V272-L344 HydrophobicContact CB-CD2 4.39Å; V272-L344 HydrophobicContact CG2-CD2 3.93Å |
| 273 | N | 92.2 | Very high | 93.9 | Very high | 44 Ų | 44 | 58.1 Ų | 58.1 | 24% | 0.235 | 30% | 0.296 | C | S | . | . | trans | -56.6 | 114.9 | -178 | 173.9 | 15.1 | 0 | 0 | 0 | 110.2 | W250 K275 A342 K343 | W250-N273 WeakPolarHBondContact CZ3-O 3.37Å; N273-K275 PolarHBondContact O-N 3.13Å; N273-A342 WeakPolarHBondContact CB-O 3.1Å; N273-A342 PolarHBondContact ND2-O 3.28Å; N273-K343 VanDerWaalsContact CB-O 3.24Å; N273-K343 WeakPolarHBondContact CB-O 3.18Å; N273-K343 PolarHBondContact N-O 3.13Å | ||
| 274 | P | 85.7 | Confident | 93.6 | Very high | 34 Ų | 34 | 61.1 Ų | 61.1 | 22% | 0.221 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 33.3 | -164 | 35.9 | -39.9 | 0 | 0 | 0 | 113.2 | L258 V272 R289 | L258-P274 HydrophobicContact CD2-CG 4.16Å; V272-P274 WeakPolarHBondContact O-CD 3.25Å; V272-P274 VanDerWaalsContact O-N 3.09Å; P274-R289 HydrophobicContact CB-CG 4.49Å; P274-R289 WeakPolarHBondContact O-CB 3.24Å |
| 275 | K | 91.8 | Very high | 93.6 | Very high | 145 Ų | 145 | 56.2 Ų | 56.2 | 63% | 0.63 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -64 | 177.9 | -73.1 | -173 | 177.9 | -170.4 | 0 | 110.9 | N273 K288 R289 | N273-K275 PolarHBondContact O-N 3.13Å; K275-K288 WeakPolarHBondContact O-CA 3.26Å; K275-R289 PolarHBondContact O-N 2.89Å |
| 276 | E | 95 | Very high | 93.6 | Very high | 90 Ų | 90 | 57.4 Ų | 57.4 | 42% | 0.421 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 156.3 | -176.3 | 61.2 | -174.9 | -148.4 | 0 | 0 | 110.7 | T286 I287 A342 | E276-T286 HydrophobicContact CB-CG2 4.12Å; E276-T286 HydrophobicContact CG-CG2 4.31Å; E276-I287 CarbonylContact C-O 3.57Å; E276-I287 WeakPolarHBondContact CA-O 3.28Å; E276-I287 WeakPolarHBondContact CB-O 3.43Å; E276-A342 WeakPolarHBondContact O-CB 3.21Å |
| 277 | I | 96.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 161.3 | 171.8 | 47.9 | 169.4 | 0 | 0 | 0 | 108.2 | Y44 W250 L279 I287 M338 A342 | Y44-I277 HydrophobicContact CE2-CD1 4.44Å; Y44-I277 WeakPolarHBondContact OH-CD1 3.4Å; W250-I277 HydrophobicContact CD2-CG2 4.17Å; W250-I277 HydrophobicContact CE3-CG2 3.88Å; W250-I277 HydrophobicContact CH2-CB 4.4Å; W250-I277 HydrophobicContact CH2-CG1 4.11Å; W250-I277 HydrophobicContact CH2-CG2 3.74Å; W250-I277 HydrophobicContact CZ2-CB 4.43Å; W250-I277 HydrophobicContact CZ2-CD1 3.9Å; W250-I277 HydrophobicContact CZ2-CG1 3.72Å; W250-I277 HydrophobicContact CZ2-CG2 3.99Å; W250-I277 HydrophobicContact CZ3-CG2 3.67Å; I277-L279 HydrophobicContact CD1-CD1 3.95Å; I277-L279 HydrophobicContact CG1-CD1 4.33Å; I277-I287 HydrophobicContact CG1-CB 4.09Å; I277-I287 PolarHBondContact N-O 3.45Å; I277-I287 PolarHBondContact O-N 3.33Å; I277-M338 HydrophobicContact CB-CE 4.41Å; I277-M338 HydrophobicContact CD1-CE 3.65Å; I277-A342 HydrophobicContact CG2-CB 4.02Å |
| 278 | V | 96 | Very high | 93.3 | Very high | 15 Ų | 15 | 51.8 Ų | 51.8 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 119.2 | 175.9 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | E284 T285 T286 M338 K341 | V278-E284 HydrophobicContact CG1-CB 3.83Å; V278-E284 HydrophobicContact CG1-CG 4.16Å; V278-T285 WeakPolarHBondContact CA-O 3.33Å; V278-T286 HydrophobicContact CG2-CG2 4.37Å; V278-M338 WeakPolarHBondContact O-CG 3.34Å; V278-K341 HydrophobicContact CB-CD 3.98Å; V278-K341 HydrophobicContact CG2-CD 4.13Å |
| 279 | L | 94 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 138.3 | 170.2 | -78.5 | 63 | 0 | 0 | 0 | 108.4 | Y44 Y53 I277 E284 T285 I287 M338 | Y44-L279 HydrophobicContact CD1-CD2 3.75Å; Y44-L279 HydrophobicContact CD2-CD2 3.98Å; Y44-L279 HydrophobicContact CE1-CD2 4.39Å; Y44-L279 HydrophobicContact CE2-CD1 4.48Å; Y44-L279 HydrophobicContact CG-CD2 3.52Å; Y44-L279 HydrophobicContact CG-CG 4.49Å; Y53-L279 HydrophobicContact CD2-CB 4.15Å; Y53-L279 HydrophobicContact CD2-CD2 3.48Å; Y53-L279 VanDerWaalsContact CD2-CD2 3.48Å; Y53-L279 HydrophobicContact CD2-CG 4.48Å; Y53-L279 HydrophobicContact CE2-CB 3.98Å; Y53-L279 HydrophobicContact CE2-CD2 3.98Å; Y53-L279 HydrophobicContact CG-CD2 4.3Å; I277-L279 HydrophobicContact CD1-CD1 3.95Å; I277-L279 HydrophobicContact CG1-CD1 4.33Å; L279-E284 CarbonylContact O-C 3.5Å; L279-E284 WeakPolarHBondContact O-CA 3.28Å; L279-T285 PolarHBondContact N-O 3.24Å; L279-T285 PolarHBondContact O-N 3.06Å; L279-I287 HydrophobicContact CD1-CD1 3.49Å; L279-I287 VanDerWaalsContact CD1-CD1 3.49Å; L279-I287 HydrophobicContact CD1-CG1 4.05Å; L279-I287 HydrophobicContact CD2-CD1 3.86Å; L279-I287 HydrophobicContact CG-CD1 4.26Å; L279-M338 HydrophobicContact CD1-CE 4.09Å; L279-M338 HydrophobicContact CD1-SD 4.12Å; L279-M338 HydrophobicContact CG-SD 4.17Å |
| 280 | K | 89 | Confident | 92.7 | Very high | 93 Ų | 93 | 53.4 Ų | 53.4 | 40% | 0.404 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 120.6 | -174.6 | -175.9 | 179.1 | 174.4 | -169 | 0 | 111.3 | E284 E337 | K280-E284 HydrophobicContact CG-CG 4.29Å; K280-E337 WeakPolarHBondContact CD-OE1 3.16Å; K280-E337 IonicContact NZ-OE1 3.34Å; K280-E337 PolarHBondContact NZ-OE1 3.21Å |
| 281 | S | 88 | Confident | 92.4 | Very high | 19 Ų | 19 | 55.1 Ų | 55.1 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -114.2 | -137.5 | 156.1 | 65.7 | 0 | 0 | 0 | 0 | 107.3 | Y53 K283 | Y53-S281 WeakPolarHBondContact CE1-OG 3.43Å; S281-K283 PolarHBondContact N-O 3.29Å; S281-K283 PolarHBondContact O-N 3.16Å; S281-K283 PolarHBondContact OG-N 2.93Å |
| 282 | S | 86.9 | Confident | 92.3 | Very high | 87 Ų | 87 | 55.1 Ų | 55.1 | 61% | 0.608 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -58.7 | -21.7 | 158.3 | 51.6 | 0 | 0 | 0 | 0 | 113.8 | D66 | D66-S282 WeakPolarHBondContact OD1-CA 3.46Å; D66-S282 WeakPolarHBondContact OD1-CB 3.21Å; D66-S282 PolarHBondContact OD1-N 3.02Å; D66-S282 PolarHBondContact OD1-OG 3.02Å |
| 283 | K | 87.1 | Confident | 92 | Very high | 156 Ų | 156 | 55.2 Ų | 55.2 | 68% | 0.678 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -119.4 | 148.4 | 174.3 | -63.9 | 177.8 | -175.6 | 170.6 | 0 | 110.7 | S281 | S281-K283 PolarHBondContact N-O 3.29Å; S281-K283 PolarHBondContact O-N 3.16Å; S281-K283 PolarHBondContact OG-N 2.93Å |
| 284 | E | 91 | Very high | 92 | Very high | 109 Ų | 109 | 53.1 Ų | 53.1 | 51% | 0.509 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 132.7 | 171.8 | -65.3 | -159.6 | 160.3 | 0 | 0 | 110.8 | V278 L279 K280 K341 | V278-E284 HydrophobicContact CG1-CB 3.83Å; V278-E284 HydrophobicContact CG1-CG 4.16Å; L279-E284 CarbonylContact O-C 3.5Å; L279-E284 WeakPolarHBondContact O-CA 3.28Å; K280-E284 HydrophobicContact CG-CG 4.29Å; E284-K341 IonicContact OE1-NZ 3.73Å; E284-K341 PolarHBondContact OE1-NZ 2.94Å; E284-K341 IonicContact OE2-NZ 3.25Å; E284-K341 PolarHBondContact OE2-NZ 2.95Å |
| 285 | T | 94 | Very high | 92.4 | Very high | 31 Ų | 31 | 51.7 Ų | 51.7 | 19% | 0.19 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 114.1 | 169.1 | -64.7 | 0 | 0 | 0 | 0 | 109 | K46 Y53 V278 L279 I287 | K46-T285 HydrophobicContact CG-CG2 4.48Å; Y53-T285 PolarHBondContact OH-OG1 3.07Å; V278-T285 WeakPolarHBondContact CA-O 3.33Å; L279-T285 PolarHBondContact N-O 3.24Å; L279-T285 PolarHBondContact O-N 3.06Å; T285-I287 HydrophobicContact CG2-CG1 4.05Å |
| 286 | T | 95.7 | Very high | 92.6 | Very high | 71 Ų | 71 | 44.8 Ų | 44.8 | 44% | 0.436 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 125.1 | 171 | -57.8 | 0 | 0 | 0 | 0 | 109.7 | E276 V278 | E276-T286 HydrophobicContact CB-CG2 4.12Å; E276-T286 HydrophobicContact CG-CG2 4.31Å; V278-T286 HydrophobicContact CG2-CG2 4.37Å |
| 287 | I | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 116.8 | 176.6 | -53.9 | -175.7 | 0 | 0 | 0 | 107.9 | Y44 P47 A145 E276 I277 L279 T285 D292 | Y44-I287 HydrophobicContact CD1-CD1 4.09Å; Y44-I287 HydrophobicContact CE1-CD1 3.81Å; P47-I287 HydrophobicContact CG-CG1 4.22Å; P47-I287 HydrophobicContact CG-CG2 4.43Å; A145-I287 HydrophobicContact CB-CD1 3.86Å; A145-I287 HydrophobicContact CB-CG2 3.65Å; E276-I287 CarbonylContact C-O 3.57Å; E276-I287 WeakPolarHBondContact CA-O 3.28Å; E276-I287 WeakPolarHBondContact CB-O 3.43Å; I277-I287 HydrophobicContact CG1-CB 4.09Å; I277-I287 PolarHBondContact N-O 3.45Å; I277-I287 PolarHBondContact O-N 3.33Å; L279-I287 HydrophobicContact CD1-CD1 3.49Å; L279-I287 VanDerWaalsContact CD1-CD1 3.49Å; L279-I287 HydrophobicContact CD1-CG1 4.05Å; L279-I287 HydrophobicContact CD2-CD1 3.86Å; L279-I287 HydrophobicContact CG-CD1 4.26Å; T285-I287 HydrophobicContact CG2-CG1 4.05Å; I287-D292 HydrophobicContact CG2-CB 3.79Å |
| 288 | K | 94.3 | Very high | 92.9 | Very high | 107 Ų | 107 | 40.4 Ų | 40.4 | 47% | 0.465 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 146.5 | 171.9 | -55.3 | -171.6 | -177.4 | 177.2 | 0 | 110.2 | K275 E290 S291 D292 | K275-K288 WeakPolarHBondContact O-CA 3.26Å; K288-E290 VanDerWaalsContact C-N 3.27Å; K288-E290 HydrophobicContact CB-CG 4.36Å; K288-E290 WeakPolarHBondContact CB-OE2 3.35Å; K288-E290 WeakPolarHBondContact CD-OE1 3.2Å; K288-E290 PolarHBondContact O-N 2.76Å; K288-S291 CarbonylContact O-C 3.58Å; K288-S291 PolarHBondContact O-N 2.8Å; K288-D292 PolarHBondContact O-N 2.83Å |
| 289 | R | 92.2 | Very high | 93 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.015 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -61.5 | -37.5 | -176.4 | -172.8 | 67.7 | -161.8 | 72.3 | -0.5 | 111.6 | W250 S251 E252 P274 K275 S291 D292 S294 D311 | W250-R289 HydrophobicContact CH2-CB 3.76Å; W250-R289 HydrophobicContact CH2-CG 4.18Å; W250-R289 HydrophobicContact CZ2-CB 3.87Å; W250-R289 HydrophobicContact CZ2-CG 4.05Å; S251-R289 VanDerWaalsContact C-NE 3.3Å; E252-R289 HydrophobicContact CB-CG 3.77Å; E252-R289 HydrophobicContact CG-CG 4.01Å; E252-R289 IonicContact OE2-CZ 3.05Å; E252-R289 IonicContact OE2-NH1 3.42Å; E252-R289 PolarHBondContact OE2-NH1 3.22Å; E252-R289 IonicContact OE2-NH2 2.68Å; E252-R289 PolarHBondContact OE2-NH2 2.8Å; P274-R289 HydrophobicContact CB-CG 4.49Å; P274-R289 WeakPolarHBondContact O-CB 3.24Å; K275-R289 PolarHBondContact O-N 2.89Å; R289-S291 PolarHBondContact O-N 2.99Å; R289-S291 VanDerWaalsContact O-N 3.16Å; R289-D292 VanDerWaalsContact NH1-C 3.34Å; R289-D292 PolarHBondContact NH1-O 2.64Å; R289-D292 PolarHBondContact O-N 3.38Å; R289-D292 VanDerWaalsContact O-N 3.08Å; R289-S294 PolarHBondContact NH2-O 2.86Å; R289-D311 IonicContact NH2-OD1 3.78Å; R289-D311 PolarHBondContact NH2-OD1 3.33Å; R289-D311 IonicContact NH2-OD2 2.8Å |
| 290 | E | 90.3 | Very high | 93.2 | Very high | 110 Ų | 110 | 43.4 Ų | 43.4 | 51% | 0.514 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -67.4 | -9.7 | 177.8 | 68.9 | -90.5 | -156.3 | 0 | 0 | 114.2 | M144 K288 | M144-E290 VanDerWaalsContact CE-O 3.23Å; M144-E290 WeakPolarHBondContact CE-O 3.38Å; K288-E290 VanDerWaalsContact C-N 3.27Å; K288-E290 HydrophobicContact CB-CG 4.36Å; K288-E290 WeakPolarHBondContact CB-OE2 3.35Å; K288-E290 WeakPolarHBondContact CD-OE1 3.2Å; K288-E290 PolarHBondContact O-N 2.76Å |
| 291 | S | 93 | Very high | 93.4 | Very high | 40 Ų | 40 | 43.9 Ų | 43.9 | 28% | 0.28 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -115.2 | 20.5 | 175.3 | -53.7 | 0 | 0 | 0 | 0 | 111.5 | A145 K288 R289 | A145-S291 WeakPolarHBondContact CB-O 3.4Å; A145-S291 PolarHBondContact N-O 3.28Å; K288-S291 CarbonylContact O-C 3.58Å; K288-S291 PolarHBondContact O-N 2.8Å; R289-S291 PolarHBondContact O-N 2.99Å; R289-S291 VanDerWaalsContact O-N 3.16Å |
| 292 | D | 93.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -126.5 | 140.8 | 178.9 | -169.3 | -5 | 0 | 0 | 0 | 109.3 | Y44 A145 W250 I287 K288 R289 S294 | Y44-D292 PolarHBondContact OH-OD2 2.88Å; A145-D292 HydrophobicContact CB-CB 4.23Å; W250-D292 PolarHBondContact NE1-OD2 2.71Å; I287-D292 HydrophobicContact CG2-CB 3.79Å; K288-D292 PolarHBondContact O-N 2.83Å; R289-D292 VanDerWaalsContact NH1-C 3.34Å; R289-D292 PolarHBondContact NH1-O 2.64Å; R289-D292 PolarHBondContact O-N 3.38Å; R289-D292 VanDerWaalsContact O-N 3.08Å; D292-S294 VanDerWaalsContact CG-OG 3.23Å; D292-S294 VanDerWaalsContact OD1-CB 3.26Å; D292-S294 WeakPolarHBondContact OD1-CB 3.46Å; D292-S294 PolarHBondContact OD1-N 3.04Å; D292-S294 PolarHBondContact OD1-OG 2.82Å; D292-S294 PolarHBondContact OD2-OG 3.3Å |
| 293 | T | 91.2 | Very high | 94.2 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | trans | -104.8 | -8.3 | 176.2 | 53 | 0 | 0 | 0 | 0 | 112.8 | T125 M144 A145 A146 R254 | T125-T293 WeakPolarHBondContact CB-O 3.42Å; T125-T293 WeakPolarHBondContact O-CB 3.23Å; T125-T293 PolarHBondContact O-OG1 3.19Å; T125-T293 PolarHBondContact OG1-OG1 3.48Å; T125-T293 VanDerWaalsContact OG1-OG1 3.11Å; M144-T293 HydrophobicContact CB-CG2 3.75Å; M144-T293 HydrophobicContact CE-CG2 4.19Å; M144-T293 HydrophobicContact CG-CG2 4.1Å; A145-T293 PolarHBondContact O-N 2.96Å; A145-T293 PolarHBondContact O-OG1 3.08Å; A146-T293 WeakPolarHBondContact CA-OG1 3.2Å; A146-T293 VanDerWaalsContact CB-OG1 3.3Å; A146-T293 WeakPolarHBondContact CB-OG1 3.17Å; R254-T293 VanDerWaalsContact NH2-CA 3.3Å; R254-T293 PolarHBondContact NH2-O 3.09Å | ||
| 294 | S | 93.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -74.7 | 144.2 | -171.6 | 73.1 | 0 | 0 | 0 | 0 | 113.1 | Y44 T125 R289 D292 | Y44-S294 PolarHBondContact OH-OG 2.93Å; T125-S294 WeakPolarHBondContact OG1-CA 3.08Å; T125-S294 PolarHBondContact OG1-N 2.9Å; R289-S294 PolarHBondContact NH2-O 2.86Å; D292-S294 VanDerWaalsContact CG-OG 3.23Å; D292-S294 VanDerWaalsContact OD1-CB 3.26Å; D292-S294 WeakPolarHBondContact OD1-CB 3.46Å; D292-S294 PolarHBondContact OD1-N 3.04Å; D292-S294 PolarHBondContact OD1-OG 2.82Å; D292-S294 PolarHBondContact OD2-OG 3.3Å | ||
| 295 | S | 93.4 | Very high | 95.2 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 127.7 | 162.8 | -76.7 | 0 | 0 | 0 | 0 | 107.7 | S308 D311 | S295-S308 PolarHBondContact O-N 3.36Å; S295-D311 VanDerWaalsContact OG-CG 3.25Å; S295-D311 PolarHBondContact OG-OD1 3.21Å |
| 296 | W | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 158.2 | 179.2 | 54 | -101.7 | 0 | 0 | 0 | 111.1 | Y44 L147 W250 V272 I298 F305 C306 F335 M338 A339 | Y44-W296 PolarHBondContact OH-NE1 3.35Å; L147-W296 HydrophobicContact CD2-CB 4.12Å; L147-W296 HydrophobicContact CD2-CG 4.49Å; W250-W296 HydrophobicContact CB-CD2 3.53Å; W250-W296 HydrophobicContact CB-CE3 3.93Å; W250-W296 HydrophobicContact CB-CG 4.11Å; W250-W296 HydrophobicContact CB-CH2 3.8Å; W250-W296 HydrophobicContact CB-CZ2 3.38Å; W250-W296 HydrophobicContact CB-CZ3 4.05Å; W250-W296 AromaticContact CD1-CD1 3.65Å; W250-W296 AromaticContact CD1-CE2 3.65Å; W250-W296 AromaticContact CD1-NE1 3.12Å; W250-W296 HydrophobicContact CD2-CZ2 4.32Å; W250-W296 HydrophobicContact CG-CD2 4.27Å; W250-W296 AromaticContact CG-CE2 3.54Å; W250-W296 HydrophobicContact CG-CH2 4.5Å; W250-W296 AromaticContact CG-CZ2 3.68Å; W250-W296 HydrophobicContact CG-CZ2 3.68Å; W250-W296 AromaticContact CG-NE1 3.54Å; W250-W296 PolarHBondContact N-O 2.97Å; W250-W296 AromaticContact NE1-NE1 3.9Å; W250-W296 PolarHBondContact O-N 2.8Å; V272-W296 HydrophobicContact CG2-CH2 4.31Å; V272-W296 HydrophobicContact CG2-CZ3 4.49Å; W296-I298 HydrophobicContact CE3-CG2 4.35Å; W296-I298 HydrophobicContact CZ3-CG1 4.32Å; W296-I298 HydrophobicContact CZ3-CG2 4.37Å; W296-F305 HydrophobicContact CB-CE2 3.94Å; W296-F305 HydrophobicContact CB-CZ 4.33Å; W296-F305 HydrophobicContact CG-CE2 4.37Å; W296-C306 CarbonylContact C-O 3.57Å; W296-C306 WeakPolarHBondContact CA-O 3.46Å; W296-C306 WeakPolarHBondContact CB-O 3.4Å; W296-F335 AromaticContact CD1-CE1 3.93Å; W296-F335 AromaticContact CD2-CD1 3.6Å; W296-F335 HydrophobicContact CD2-CD1 3.6Å; W296-F335 AromaticContact CD2-CE1 3.92Å; W296-F335 HydrophobicContact CD2-CE1 3.92Å; W296-F335 AromaticContact CE2-CD1 3.64Å; W296-F335 AromaticContact CE2-CE1 3.9Å; W296-F335 AromaticContact CE3-CD1 3.82Å; W296-F335 HydrophobicContact CE3-CD1 3.82Å; W296-F335 HydrophobicContact CG-CD1 4.11Å; W296-F335 AromaticContact CG-CE1 3.96Å; W296-F335 HydrophobicContact CG-CE1 3.96Å; W296-F335 HydrophobicContact CH2-CD1 4.16Å; W296-F335 AromaticContact CZ2-CD1 3.95Å; W296-F335 HydrophobicContact CZ2-CD1 3.95Å; W296-F335 HydrophobicContact CZ3-CB 4.34Å; W296-F335 HydrophobicContact CZ3-CD1 4.1Å; W296-F335 AromaticContact NE1-CE1 3.87Å; W296-M338 HydrophobicContact CH2-CE 4.38Å; W296-M338 HydrophobicContact CZ2-CE 3.6Å; W296-A339 HydrophobicContact CH2-CB 4.24Å |
| 297 | A | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 146.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y235 L239 L248 V249 F305 C306 | Y235-A297 HydrophobicContact CD1-CB 4.17Å; Y235-A297 HydrophobicContact CE1-CB 4.02Å; L239-A297 HydrophobicContact CD2-CB 4.35Å; L248-A297 CarbonylContact O-C 3.57Å; L248-A297 WeakPolarHBondContact O-CA 3.35Å; V249-A297 HydrophobicContact CG2-CB 3.94Å; A297-F305 CarbonylContact O-C 3.55Å; A297-C306 HydrophobicContact CB-CB 4.28Å; A297-C306 PolarHBondContact N-O 2.8Å; A297-C306 PolarHBondContact O-N 3.02Å |
| 298 | I | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 153.1 | 168.4 | 57.9 | 174.3 | 0 | 0 | 0 | 109.8 | L247 L248 W296 L304 F305 F335 K336 A339 | L247-I298 CarbonylContact C-O 3.08Å; L247-I298 WeakPolarHBondContact CA-O 3.37Å; L248-I298 HydrophobicContact CB-CG1 3.88Å; L248-I298 HydrophobicContact CD1-CD1 4.16Å; L248-I298 HydrophobicContact CD1-CG1 4.31Å; L248-I298 HydrophobicContact CG-CG1 4.38Å; L248-I298 PolarHBondContact N-O 2.94Å; L248-I298 PolarHBondContact O-N 2.93Å; W296-I298 HydrophobicContact CE3-CG2 4.35Å; W296-I298 HydrophobicContact CZ3-CG1 4.32Å; W296-I298 HydrophobicContact CZ3-CG2 4.37Å; I298-L304 VanDerWaalsContact CA-O 3.27Å; I298-L304 WeakPolarHBondContact CA-O 3.06Å; I298-F305 HydrophobicContact CG2-CB 4.44Å; I298-F305 HydrophobicContact CG2-CD2 3.91Å; I298-F335 HydrophobicContact CD1-CB 4.47Å; I298-F335 HydrophobicContact CG2-CB 3.61Å; I298-F335 HydrophobicContact CG2-CG 4.44Å; I298-K336 VanDerWaalsContact CD1-CA 3.48Å; I298-K336 HydrophobicContact CD1-CB 3.93Å; I298-K336 HydrophobicContact CD1-CD 3.8Å; I298-A339 HydrophobicContact CD1-CB 4.2Å |
| 299 | S | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 143.4 | 165.2 | 172.2 | 0 | 0 | 0 | 0 | 110.4 | N246 S301 S302 L304 H332 | N246-S299 CarbonylContact O-C 3.49Å; N246-S299 WeakPolarHBondContact O-CA 3.36Å; S299-S301 PolarHBondContact O-N 2.83Å; S299-S302 WeakPolarHBondContact CB-O 3.34Å; S299-S302 WeakPolarHBondContact CB-OG 3.42Å; S299-S302 PolarHBondContact OG-OG 3.39Å; S299-L304 PolarHBondContact N-O 3.44Å; S299-H332 PolarHBondContact O-NE2 3.22Å |
| 300 | K | 97.5 | Very high | 94.8 | Very high | 77 Ų | 77 | 21.1 Ų | 21.1 | 34% | 0.335 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -63.8 | -29.8 | -178.8 | -170.7 | 170 | -174.6 | 170.3 | 0 | 112.5 | N246 L248 E270 K336 | N246-K300 HydrophobicContact CB-CB 4.13Å; N246-K300 PolarHBondContact O-N 3.3Å; L248-K300 HydrophobicContact CD1-CG 4.49Å; L248-K300 HydrophobicContact CD2-CB 4.36Å; L248-K300 HydrophobicContact CD2-CD 4.22Å; L248-K300 HydrophobicContact CD2-CG 4.16Å; L248-K300 HydrophobicContact CG-CB 4.28Å; L248-K300 HydrophobicContact CG-CG 4.37Å; E270-K300 IonicContact OE1-NZ 2.64Å; E270-K300 PolarHBondContact OE1-NZ 3.15Å; E270-K300 WeakPolarHBondContact OE2-CD 3.46Å; E270-K300 WeakPolarHBondContact OE2-CE 3.34Å; E270-K300 IonicContact OE2-NZ 2.73Å; E270-K300 PolarHBondContact OE2-NZ 2.97Å; K300-K336 PolarHBondContact O-NZ 3.33Å |
| 301 | S | 93.3 | Very high | 94.8 | Very high | 104 Ų | 104 | 16.7 Ų | 16.7 | 73% | 0.727 | 10% | 0.101 | S | C | * | . | S | Bend | trans | -134.8 | 5.5 | -167.4 | 62.8 | 0 | 0 | 0 | 0 | 115.5 | S299 | S299-S301 PolarHBondContact O-N 2.83Š|
| 302 | S | 94.3 | Very high | 94.8 | Very high | 28 Ų | 28 | 15 Ų | 15 | 20% | 0.196 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -146 | 156.4 | -174.6 | 62.9 | 0 | 0 | 0 | 0 | 110.1 | R245 S299 L304 H332 | R245-S302 PolarHBondContact NH1-OG 2.84Å; S299-S302 WeakPolarHBondContact CB-O 3.34Å; S299-S302 WeakPolarHBondContact CB-OG 3.42Å; S299-S302 PolarHBondContact OG-OG 3.39Å; S302-L304 PolarHBondContact O-N 3.42Å; S302-H332 PolarHBondContact O-CD2 3.34Å; S302-H332 PolarHBondContact O-CE1 3.33Å; S302-H332 PolarHBondContact O-NE2 2.9Å |
| 303 | D | 98 | Very high | 94.7 | Very high | 42 Ų | 42 | 15.4 Ų | 15.4 | 23% | 0.225 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -46 | 12.6 | 176.4 | 68.1 | -11.1 | 0 | 0 | 0 | 120.7 | R245 Q327 N328 Q329 | R245-D303 IonicContact NH1-OD1 3.49Å; R245-D303 PolarHBondContact NH1-OD1 3.3Å; D303-Q327 CarbonylContact O-C 3.52Å; D303-Q327 VanDerWaalsContact O-CA 3.3Å; D303-Q327 WeakPolarHBondContact O-CA 3.48Å; D303-Q327 PolarHBondContact OD1-NE2 3.1Å; D303-Q327 PolarHBondContact OD2-NE2 3.4Å; D303-N328 CarbonylContact O-C 3.59Å; D303-N328 PolarHBondContact O-N 2.81Å; D303-Q329 HydrophobicContact CB-CB 4.42Å |
| 304 | L | 98.8 | Very high | 94.7 | Very high | 7 Ų | 7 | 19 Ų | 19 | 4% | 0.037 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 128.8 | -177 | -179.1 | 95.9 | 0 | 0 | 0 | 111.3 | L243 L247 I298 S299 S302 C325 Q327 H332 | L243-L304 HydrophobicContact CD1-CD1 4.32Å; L243-L304 HydrophobicContact CD1-CD2 3.46Å; L243-L304 VanDerWaalsContact CD1-CD2 3.46Å; L243-L304 HydrophobicContact CD1-CG 4.49Å; L247-L304 HydrophobicContact CD2-CD2 4.12Å; I298-L304 VanDerWaalsContact CA-O 3.27Å; I298-L304 WeakPolarHBondContact CA-O 3.06Å; S299-L304 PolarHBondContact N-O 3.44Å; S302-L304 PolarHBondContact O-N 3.42Å; L304-C325 HydrophobicContact CD1-CB 4.06Å; L304-Q327 HydrophobicContact CD1-CG 4.08Å; L304-H332 PolarHBondContact O-CD2 2.79Å |
| 305 | F | 98.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 148.4 | 166.7 | 169.4 | -98 | 0 | 0 | 0 | 111 | I42 L147 V149 W296 A297 I298 C325 F326 V331 F335 | I42-F305 HydrophobicContact CD1-CD1 3.9Å; I42-F305 HydrophobicContact CD1-CE1 3.58Å; I42-F305 HydrophobicContact CD1-CZ 4.15Å; I42-F305 HydrophobicContact CG1-CE1 4.48Å; L147-F305 HydrophobicContact CD2-CZ 3.76Å; V149-F305 HydrophobicContact CG2-CE1 4.44Å; W296-F305 HydrophobicContact CB-CE2 3.94Å; W296-F305 HydrophobicContact CB-CZ 4.33Å; W296-F305 HydrophobicContact CG-CE2 4.37Å; A297-F305 CarbonylContact O-C 3.55Å; I298-F305 HydrophobicContact CG2-CB 4.44Å; I298-F305 HydrophobicContact CG2-CD2 3.91Å; F305-C325 CarbonylContact O-C 3.6Å; F305-C325 WeakPolarHBondContact O-CA 3.09Å; F305-F326 HydrophobicContact CD1-CD1 4.2Å; F305-F326 AromaticContact CD1-CE1 3.55Å; F305-F326 HydrophobicContact CD1-CE1 3.55Å; F305-F326 AromaticContact CD1-CZ 3.87Å; F305-F326 HydrophobicContact CD1-CZ 3.87Å; F305-F326 HydrophobicContact CE1-CE1 4.04Å; F305-F326 HydrophobicContact CE1-CZ 4.47Å; F305-F326 PolarHBondContact N-O 3.14Å; F305-F326 PolarHBondContact O-N 2.98Å; F305-F326 VanDerWaalsContact O-O 3.14Å; F305-V331 HydrophobicContact CB-CG1 3.65Å; F305-V331 HydrophobicContact CD1-CG1 3.82Å; F305-V331 HydrophobicContact CD2-CG1 4.07Å; F305-V331 HydrophobicContact CE1-CG1 4.48Å; F305-V331 HydrophobicContact CG-CG1 3.56Å; F305-F335 HydrophobicContact CD2-CB 4.36Å; F305-F335 HydrophobicContact CD2-CD1 4.11Å; F305-F335 AromaticContact CD2-CD2 3.72Å; F305-F335 HydrophobicContact CD2-CD2 3.72Å; F305-F335 HydrophobicContact CD2-CE1 4.33Å; F305-F335 AromaticContact CD2-CE2 3.96Å; F305-F335 HydrophobicContact CD2-CE2 3.96Å; F305-F335 AromaticContact CD2-CG 3.79Å; F305-F335 HydrophobicContact CD2-CG 3.79Å; F305-F335 HydrophobicContact CD2-CZ 4.26Å; F305-F335 AromaticContact CE2-CD1 3.6Å; F305-F335 HydrophobicContact CE2-CD1 3.6Å; F305-F335 AromaticContact CE2-CD2 3.68Å; F305-F335 HydrophobicContact CE2-CD2 3.68Å; F305-F335 AromaticContact CE2-CE1 3.42Å; F305-F335 HydrophobicContact CE2-CE1 3.42Å; F305-F335 VanDerWaalsContact CE2-CE1 3.42Å; F305-F335 AromaticContact CE2-CE2 3.52Å; F305-F335 HydrophobicContact CE2-CE2 3.52Å; F305-F335 AromaticContact CE2-CG 3.72Å; F305-F335 HydrophobicContact CE2-CG 3.72Å; F305-F335 AromaticContact CE2-CZ 3.38Å; F305-F335 HydrophobicContact CE2-CZ 3.38Å; F305-F335 HydrophobicContact CZ-CD2 4.49Å; F305-F335 HydrophobicContact CZ-CE1 4.05Å; F305-F335 AromaticContact CZ-CE2 3.92Å; F305-F335 HydrophobicContact CZ-CE2 3.92Å; F305-F335 AromaticContact CZ-CZ 3.67Å; F305-F335 HydrophobicContact CZ-CZ 3.67Å |
| 306 | C | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 135.4 | 176.3 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | W296 A297 V323 L324 C325 | W296-C306 CarbonylContact C-O 3.57Å; W296-C306 WeakPolarHBondContact CA-O 3.46Å; W296-C306 WeakPolarHBondContact CB-O 3.4Å; A297-C306 HydrophobicContact CB-CB 4.28Å; A297-C306 PolarHBondContact N-O 2.8Å; A297-C306 PolarHBondContact O-N 3.02Å; C306-V323 HydrophobicContact CB-CG1 3.66Å; C306-L324 CarbonylContact C-O 3.52Å; C306-L324 WeakPolarHBondContact CA-O 3.2Å; C306-C325 HydrophobicContact CB-CB 4.03Å; C306-C325 WeakPolarHBondContact CB-SG 3.32Å; C306-C325 WeakPolarHBondContact SG-CB 3.3Å; C306-C325 CovalentContact SG-SG 2.04Å; C306-C325 PolarHBondContact SG-SG 2.74Å |
| 307 | I | 96.5 | Very high | 93.9 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 143.4 | 161.4 | -176.7 | 170.9 | 0 | 0 | 0 | 109.3 | T123 T125 L147 V149 V323 L324 | T123-I307 HydrophobicContact CG2-CD1 4.26Å; T123-I307 HydrophobicContact CG2-CG2 4.12Å; T125-I307 HydrophobicContact CG2-CD1 4.23Å; L147-I307 HydrophobicContact CB-CD1 4.14Å; L147-I307 HydrophobicContact CD2-CB 3.94Å; L147-I307 HydrophobicContact CD2-CD1 3.67Å; L147-I307 HydrophobicContact CD2-CG1 3.69Å; L147-I307 HydrophobicContact CG-CD1 3.83Å; L147-I307 HydrophobicContact CG-CG1 4.41Å; V149-I307 HydrophobicContact CB-CG2 4.32Å; V149-I307 HydrophobicContact CG2-CB 4.06Å; V149-I307 HydrophobicContact CG2-CD1 3.95Å; V149-I307 HydrophobicContact CG2-CG2 3.72Å; I307-V323 CarbonylContact O-C 3.52Å; I307-V323 WeakPolarHBondContact O-CA 3.2Å; I307-L324 HydrophobicContact CG2-CB 3.82Å; I307-L324 HydrophobicContact CG2-CD2 4.01Å; I307-L324 HydrophobicContact CG2-CG 4.23Å; I307-L324 PolarHBondContact N-O 2.91Å; I307-L324 PolarHBondContact O-N 2.82Å |
| 308 | S | 92.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 148.9 | 177.9 | 179.1 | 0 | 0 | 0 | 0 | 111.1 | Y235 S295 A310 G322 | Y235-S308 WeakPolarHBondContact OH-CB 3.31Å; Y235-S308 PolarHBondContact OH-OG 3.09Å; S295-S308 PolarHBondContact O-N 3.36Å; S308-A310 VanDerWaalsContact C-N 3.35Å; S308-A310 PolarHBondContact OG-N 3.35Å; S308-A310 VanDerWaalsContact OG-N 3.1Å; S308-A310 PolarHBondContact OG-O 3.35Å; S308-G322 WeakPolarHBondContact CA-O 3.49Å |
| 309 | N | 88.2 | Confident | 92.8 | Very high | 18 Ų | 18 | 32.4 Ų | 32.4 | 10% | 0.096 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -92.1 | -0.5 | 175.5 | 85.6 | -18.9 | 0 | 0 | 0 | 113 | Q109 Q168 A321 G322 | Q109-N309 VanDerWaalsContact CD-CB 3.42Å; Q109-N309 HydrophobicContact CG-CB 4.27Å; Q109-N309 PolarHBondContact NE2-O 3.22Å; Q109-N309 VanDerWaalsContact OE1-CB 3.25Å; Q109-N309 VanDerWaalsContact OE1-CG 3.26Å; Q109-N309 PolarHBondContact OE1-ND2 3.3Å; Q168-N309 PolarHBondContact OE1-ND2 3.35Å; N309-A321 VanDerWaalsContact OD1-CA 3.28Å; N309-A321 WeakPolarHBondContact OD1-CA 3.49Å; N309-G322 VanDerWaalsContact CG-N 3.28Å; N309-G322 PolarHBondContact N-O 3.1Å; N309-G322 PolarHBondContact ND2-N 3.28Å; N309-G322 PolarHBondContact OD1-N 2.85Å; N309-G322 PolarHBondContact OD1-O 3.27Å |
| 310 | A | 87.6 | Confident | 92.3 | Very high | 6 Ų | 6 | 32.6 Ų | 32.6 | 5% | 0.05 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -136.5 | 134.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y235 S308 A321 | Y235-A310 VanDerWaalsContact CE2-O 3.3Å; Y235-A310 WeakPolarHBondContact CE2-O 3.43Å; Y235-A310 PolarHBondContact OH-O 3.15Å; S308-A310 VanDerWaalsContact C-N 3.35Å; S308-A310 PolarHBondContact OG-N 3.35Å; S308-A310 VanDerWaalsContact OG-N 3.1Å; S308-A310 PolarHBondContact OG-O 3.35Å; A310-A321 HydrophobicContact CB-CB 3.67Å |
| 311 | D | 89.8 | Confident | 92 | Very high | 18 Ų | 18 | 29 Ų | 29 | 10% | 0.096 | 17% | 0.165 | C | C | . | . | trans | -73.8 | 165.2 | 170.4 | -79.8 | -66.9 | 0 | 0 | 0 | 112.2 | S251 E252 R289 S295 T313 S316 | S251-D311 VanDerWaalsContact CA-OD1 3.22Å; S251-D311 WeakPolarHBondContact CA-OD1 3.16Å; S251-D311 WeakPolarHBondContact CB-OD1 3.46Å; S251-D311 WeakPolarHBondContact OG-CA 3.44Å; S251-D311 WeakPolarHBondContact OG-CB 3.46Å; S251-D311 PolarHBondContact OG-OD1 3.5Å; E252-D311 PolarHBondContact N-OD1 3.31Å; R289-D311 IonicContact NH2-OD1 3.78Å; R289-D311 PolarHBondContact NH2-OD1 3.33Å; R289-D311 IonicContact NH2-OD2 2.8Å; S295-D311 VanDerWaalsContact OG-CG 3.25Å; S295-D311 PolarHBondContact OG-OD1 3.21Å; D311-T313 VanDerWaalsContact C-N 3.34Å; D311-T313 HydrophobicContact CB-CG2 3.95Å; D311-T313 PolarHBondContact O-N 2.88Å; D311-S316 WeakPolarHBondContact O-CB 3.36Å; D311-S316 PolarHBondContact O-OG 2.9Å | ||
| 312 | R | 92.7 | Very high | 91.9 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.015 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -87.7 | 62.6 | 173.5 | -70.3 | -164 | 69.2 | -120.4 | -4.6 | 111.9 | D233 Y235 V249 S251 L258 L259 P260 N271 | D233-R312 IonicContact OD1-NE 2.8Å; D233-R312 IonicContact OD2-CZ 3.36Å; D233-R312 IonicContact OD2-NE 3.34Å; D233-R312 PolarHBondContact OD2-NE 2.92Å; D233-R312 IonicContact OD2-NH2 3.58Å; D233-R312 PolarHBondContact OD2-NH2 2.87Å; Y235-R312 HydrophobicContact CD1-CG 4.5Å; Y235-R312 HydrophobicContact CD2-CG 3.19Å; Y235-R312 HydrophobicContact CE2-CG 3.41Å; Y235-R312 VanDerWaalsContact CE2-CG 3.41Å; Y235-R312 HydrophobicContact CG-CG 3.76Å; V249-R312 HydrophobicContact CG1-CG 3.94Å; S251-R312 PolarHBondContact OG-N 2.81Å; L258-R312 HydrophobicContact CD1-CB 4.27Å; L258-R312 WeakPolarHBondContact CD1-O 3.36Å; L259-R312 WeakPolarHBondContact CB-O 3.48Å; L259-R312 WeakPolarHBondContact CG-O 3.31Å; L259-R312 PolarHBondContact N-O 2.89Å; P260-R312 PolarHBondContact O-NH1 2.64Å; P260-R312 PolarHBondContact O-NH2 2.8Å; N271-R312 PolarHBondContact OD1-NH1 3.22Å |
| 313 | T | 91.5 | Very high | 91.9 | Very high | 8 Ų | 8 | 23 Ų | 23 | 5% | 0.049 | 12% | 0.124 | C | C | . | . | B | Isolated β-bridge | trans | -113.5 | 164.4 | 178.9 | 76.5 | 0 | 0 | 0 | 0 | 113.2 | E252 A256 K257 D311 L315 S316 K317 | E252-T313 VanDerWaalsContact O-CG2 3.25Å; E252-T313 WeakPolarHBondContact O-CG2 3.35Å; A256-T313 HydrophobicContact CB-CG2 4.39Å; K257-T313 WeakPolarHBondContact O-CA 3.17Å; K257-T313 WeakPolarHBondContact O-CB 3.19Å; D311-T313 VanDerWaalsContact C-N 3.34Å; D311-T313 HydrophobicContact CB-CG2 3.95Å; D311-T313 PolarHBondContact O-N 2.88Å; T313-L315 PolarHBondContact O-N 3.39Å; T313-L315 PolarHBondContact OG1-N 2.73Å; T313-S316 PolarHBondContact O-N 2.59Å; T313-S316 PolarHBondContact OG1-N 3.33Å; T313-S316 VanDerWaalsContact OG1-N 3.08Å; T313-S316 PolarHBondContact OG1-OG 2.7Å; T313-K317 PolarHBondContact O-N 3.04Å |
| 314 | E | 90.8 | Very high | 91.9 | Very high | 81 Ų | 81 | 21.3 Ų | 21.3 | 38% | 0.379 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -38.9 | 171.3 | -74.8 | -65.9 | 152 | 0 | 0 | 112.8 | K257 L259 K317 | K257-E314 HydrophobicContact CB-CG 4.3Å; K257-E314 PolarHBondContact O-N 2.83Å; L259-E314 HydrophobicContact CD2-CG 4.07Å; L259-E314 WeakPolarHBondContact CD2-OE1 3.3Å; E314-K317 VanDerWaalsContact CD-NZ 3.33Å; E314-K317 IonicContact OE1-NZ 3.43Å; E314-K317 PolarHBondContact OE1-NZ 2.96Å; E314-K317 WeakPolarHBondContact OE2-CE 3.2Å; E314-K317 IonicContact OE2-NZ 2.6Å; E314-K317 PolarHBondContact OE2-NZ 2.98Å |
| 315 | L | 87.9 | Confident | 91.9 | Very high | 93 Ų | 93 | 21.1 Ų | 21.1 | 49% | 0.487 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -40 | 176.9 | -74.4 | -177 | 0 | 0 | 0 | 111.9 | A256 T313 K317 N318 | A256-L315 HydrophobicContact CB-CB 3.76Å; A256-L315 HydrophobicContact CB-CD1 3.65Å; A256-L315 HydrophobicContact CB-CG 3.49Å; A256-L315 VanDerWaalsContact CB-CG 3.49Å; T313-L315 PolarHBondContact O-N 3.39Å; T313-L315 PolarHBondContact OG1-N 2.73Å; L315-K317 PolarHBondContact O-N 3.36Å; L315-K317 VanDerWaalsContact O-N 3.08Å; L315-N318 PolarHBondContact O-N 2.97Å |
| 316 | S | 88.9 | Confident | 91.9 | Very high | 22 Ų | 22 | 21.3 Ų | 21.3 | 15% | 0.154 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -61.5 | -21 | -177.6 | -55.5 | 0 | 0 | 0 | 0 | 113.8 | D311 T313 N318 V319 | D311-S316 WeakPolarHBondContact O-CB 3.36Å; D311-S316 PolarHBondContact O-OG 2.9Å; T313-S316 PolarHBondContact O-N 2.59Å; T313-S316 PolarHBondContact OG1-N 3.33Å; T313-S316 VanDerWaalsContact OG1-N 3.08Å; T313-S316 PolarHBondContact OG1-OG 2.7Å; S316-N318 PolarHBondContact O-N 2.79Å; S316-V319 PolarHBondContact O-N 3.39Å |
| 317 | K | 90.5 | Very high | 91.8 | Very high | 47 Ų | 47 | 25.5 Ų | 25.5 | 20% | 0.204 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -58.5 | -34.4 | 172.1 | -68.4 | -171 | -66.9 | -169.2 | 0 | 111.9 | K226 R231 Q232 L259 T313 E314 L315 | K226-K317 PolarHBondContact NZ-O 3.1Å; R231-K317 CarbonylContact C-O 3.5Å; R231-K317 WeakPolarHBondContact CA-O 3.32Å; Q232-K317 PolarHBondContact N-O 2.97Å; L259-K317 HydrophobicContact CD1-CD 4.47Å; L259-K317 HydrophobicContact CD1-CG 4.42Å; T313-K317 PolarHBondContact O-N 3.04Å; E314-K317 VanDerWaalsContact CD-NZ 3.33Å; E314-K317 IonicContact OE1-NZ 3.43Å; E314-K317 PolarHBondContact OE1-NZ 2.96Å; E314-K317 WeakPolarHBondContact OE2-CE 3.2Å; E314-K317 IonicContact OE2-NZ 2.6Å; E314-K317 PolarHBondContact OE2-NZ 2.98Å; L315-K317 PolarHBondContact O-N 3.36Å; L315-K317 VanDerWaalsContact O-N 3.08Å |
| 318 | N | 88.4 | Confident | 91.9 | Very high | 81 Ų | 81 | 27 Ų | 27 | 43% | 0.433 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -98.8 | 11 | -171.2 | -56.9 | -49.6 | 0 | 0 | 0 | 113.9 | N228 L315 S316 | N228-N318 WeakPolarHBondContact CB-O 3.4Å; L315-N318 PolarHBondContact O-N 2.97Å; S316-N318 PolarHBondContact O-N 2.79Å |
| 319 | V | 86.3 | Confident | 92.2 | Very high | 40 Ų | 40 | 31.4 Ų | 31.4 | 24% | 0.242 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -118 | 161.1 | 173.2 | -55.5 | 0 | 0 | 0 | 0 | 110.5 | F100 K226 S316 | F100-V319 HydrophobicContact CZ-CG1 4.4Å; K226-V319 PolarHBondContact NZ-O 3.2Å; S316-V319 PolarHBondContact O-N 3.39Å |
| 320 | G | 88.2 | Confident | 92.6 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 5% | 0.052 | 17% | 0.17 | C | C | . | . | trans | -61.8 | 139.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q168 K226 | Q168-G320 WeakPolarHBondContact O-CA 3.5Å; K226-G320 CarbonylContact O-C 3.56Å; K226-G320 VanDerWaalsContact O-CA 3.23Å; K226-G320 WeakPolarHBondContact O-CA 3.36Å | ||
| 321 | A | 89.8 | Confident | 93.1 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 142.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S225 K226 V234 N309 A310 | S225-A321 CarbonylContact C-O 3.6Å; S225-A321 VanDerWaalsContact CA-O 3.3Å; S225-A321 WeakPolarHBondContact CA-O 3.25Å; K226-A321 HydrophobicContact CB-CB 4.5Å; K226-A321 PolarHBondContact N-O 3.25Å; K226-A321 PolarHBondContact O-N 2.84Å; V234-A321 HydrophobicContact CB-CB 4.11Å; V234-A321 HydrophobicContact CG1-CB 4.09Å; V234-A321 HydrophobicContact CG2-CB 4.32Å; N309-A321 VanDerWaalsContact OD1-CA 3.28Å; N309-A321 WeakPolarHBondContact OD1-CA 3.49Å; A310-A321 HydrophobicContact CB-CB 3.67Å |
| 322 | G | 91.7 | Very high | 93.5 | Very high | 5 Ų | 5 | 32 Ų | 32 | 5% | 0.052 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 133 | 178 | 0 | 0 | 0 | 0 | 0 | 110.4 | I224 S308 N309 | I224-G322 CarbonylContact O-C 3.55Å; I224-G322 WeakPolarHBondContact O-CA 3.49Å; S308-G322 WeakPolarHBondContact CA-O 3.49Å; N309-G322 VanDerWaalsContact CG-N 3.28Å; N309-G322 PolarHBondContact N-O 3.1Å; N309-G322 PolarHBondContact ND2-N 3.28Å; N309-G322 PolarHBondContact OD1-N 2.85Å; N309-G322 PolarHBondContact OD1-O 3.27Å |
| 323 | V | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 121.5 | 174.8 | -171.1 | 0 | 0 | 0 | 0 | 108.6 | I223 I224 V234 L239 C306 I307 | I223-V323 CarbonylContact C-O 2.94Å; I223-V323 VanDerWaalsContact CA-O 3.25Å; I223-V323 WeakPolarHBondContact CA-O 3.29Å; I224-V323 PolarHBondContact N-O 2.93Å; I224-V323 PolarHBondContact O-N 2.84Å; V234-V323 HydrophobicContact CG1-CG2 4.05Å; V234-V323 HydrophobicContact CG2-CG2 4Å; L239-V323 HydrophobicContact CD1-CB 4.14Å; L239-V323 HydrophobicContact CD1-CG1 3.82Å; L239-V323 HydrophobicContact CD2-CG1 3.85Å; L239-V323 HydrophobicContact CD2-CG2 4.46Å; L239-V323 HydrophobicContact CG-CG1 4.5Å; C306-V323 HydrophobicContact CB-CG1 3.66Å; I307-V323 CarbonylContact O-C 3.52Å; I307-V323 WeakPolarHBondContact O-CA 3.2Å |
| 324 | L | 96.4 | Very high | 94.1 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 120.1 | 176.9 | 169.1 | 68.6 | 0 | 0 | 0 | 108.8 | V149 I151 F210 F221 I223 C306 I307 | V149-L324 HydrophobicContact CB-CD2 4.48Å; V149-L324 HydrophobicContact CG1-CD2 4.17Å; I151-L324 HydrophobicContact CD1-CD1 3.99Å; I151-L324 HydrophobicContact CD1-CD2 3.82Å; I151-L324 HydrophobicContact CD1-CG 4.44Å; F210-L324 HydrophobicContact CE1-CD1 4.11Å; F210-L324 HydrophobicContact CZ-CD1 4.03Å; F221-L324 HydrophobicContact CB-CD1 3.93Å; F221-L324 HydrophobicContact CD1-CD1 3.81Å; F221-L324 HydrophobicContact CD1-CG 4.34Å; F221-L324 HydrophobicContact CG-CD1 4.24Å; I223-L324 HydrophobicContact CD1-CD1 4Å; I223-L324 HydrophobicContact CG1-CB 4.11Å; I223-L324 HydrophobicContact CG1-CD1 3.45Å; I223-L324 VanDerWaalsContact CG1-CD1 3.45Å; I223-L324 HydrophobicContact CG1-CG 4.39Å; C306-L324 CarbonylContact C-O 3.52Å; C306-L324 WeakPolarHBondContact CA-O 3.2Å; I307-L324 HydrophobicContact CG2-CB 3.82Å; I307-L324 HydrophobicContact CG2-CD2 4.01Å; I307-L324 HydrophobicContact CG2-CG 4.23Å; I307-L324 PolarHBondContact N-O 2.91Å; I307-L324 PolarHBondContact O-N 2.82Å |
| 325 | C | 98.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.014 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 151.8 | -176 | -58.6 | 0 | 0 | 0 | 0 | 112.3 | F221 R222 L304 F305 C306 | F221-C325 CarbonylContact C-O 3.54Å; F221-C325 VanDerWaalsContact CA-O 3.31Å; F221-C325 WeakPolarHBondContact CA-O 3.28Å; R222-C325 PolarHBondContact N-O 2.86Å; R222-C325 PolarHBondContact O-N 3.46Å; L304-C325 HydrophobicContact CD1-CB 4.06Å; F305-C325 CarbonylContact O-C 3.6Å; F305-C325 WeakPolarHBondContact O-CA 3.09Å; C306-C325 HydrophobicContact CB-CB 4.03Å; C306-C325 WeakPolarHBondContact CB-SG 3.32Å; C306-C325 WeakPolarHBondContact SG-CB 3.3Å; C306-C325 CovalentContact SG-SG 2.04Å; C306-C325 PolarHBondContact SG-SG 2.74Å |
| 326 | F | 98.5 | Very high | 94.9 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.018 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 164.8 | 168.3 | 62.4 | -88.7 | 0 | 0 | 0 | 110.6 | W40 I42 V149 L219 K220 F221 F305 N328 V331 | W40-F326 HydrophobicContact CE3-CE2 4.34Å; W40-F326 HydrophobicContact CE3-CZ 4.14Å; W40-F326 HydrophobicContact CH2-CE2 4.4Å; W40-F326 HydrophobicContact CZ3-CE2 4.12Å; W40-F326 HydrophobicContact CZ3-CZ 4.06Å; I42-F326 HydrophobicContact CD1-CE1 4.13Å; I42-F326 HydrophobicContact CD1-CZ 3.58Å; I42-F326 HydrophobicContact CG1-CZ 4.16Å; V149-F326 HydrophobicContact CG1-CE1 4.49Å; L219-F326 HydrophobicContact CD1-CD2 4.39Å; L219-F326 HydrophobicContact CD2-CB 4.17Å; L219-F326 HydrophobicContact CD2-CD2 3.54Å; L219-F326 HydrophobicContact CD2-CE2 3.96Å; L219-F326 HydrophobicContact CD2-CG 3.98Å; L219-F326 HydrophobicContact CG-CB 4.3Å; L219-F326 HydrophobicContact CG-CD2 4.38Å; K220-F326 WeakPolarHBondContact O-CB 3.41Å; F221-F326 HydrophobicContact CD1-CB 3.67Å; F221-F326 AromaticContact CD1-CD1 3.78Å; F221-F326 HydrophobicContact CD1-CD1 3.78Å; F221-F326 HydrophobicContact CD1-CG 4.04Å; F221-F326 HydrophobicContact CE1-CB 3.77Å; F221-F326 AromaticContact CE1-CD1 3.37Å; F221-F326 HydrophobicContact CE1-CD1 3.37Å; F221-F326 AromaticContact CE1-CE1 3.96Å; F221-F326 HydrophobicContact CE1-CE1 3.96Å; F221-F326 AromaticContact CE1-CG 3.69Å; F221-F326 HydrophobicContact CE1-CG 3.69Å; F221-F326 HydrophobicContact CG-CB 4.33Å; F221-F326 HydrophobicContact CZ-CB 4.48Å; F221-F326 HydrophobicContact CZ-CD1 4.39Å; F221-F326 HydrophobicContact CZ-CG 4.43Å; F305-F326 HydrophobicContact CD1-CD1 4.2Å; F305-F326 AromaticContact CD1-CE1 3.55Å; F305-F326 HydrophobicContact CD1-CE1 3.55Å; F305-F326 AromaticContact CD1-CZ 3.87Å; F305-F326 HydrophobicContact CD1-CZ 3.87Å; F305-F326 HydrophobicContact CE1-CE1 4.04Å; F305-F326 HydrophobicContact CE1-CZ 4.47Å; F305-F326 PolarHBondContact N-O 3.14Å; F305-F326 PolarHBondContact O-N 2.98Å; F305-F326 VanDerWaalsContact O-O 3.14Å; F326-N328 HydrophobicContact CD2-CB 3.78Å; F326-N328 HydrophobicContact CE2-CB 3.61Å; F326-V331 HydrophobicContact CE2-CB 4.31Å; F326-V331 HydrophobicContact CE2-CG1 4.34Å; F326-V331 HydrophobicContact CE2-CG2 4.04Å; F326-V331 HydrophobicContact CZ-CG1 4.17Å; F326-V331 HydrophobicContact CZ-CG2 4.23Å |
| 327 | Q | 98.4 | Very high | 95.3 | Very high | 89 Ų | 89 | 31.4 Ų | 31.4 | 42% | 0.416 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 116.1 | 177.7 | -71.7 | -174.2 | -92.2 | 0 | 0 | 110 | L219 D303 L304 | L219-Q327 WeakPolarHBondContact CD1-O 3.17Å; D303-Q327 CarbonylContact O-C 3.52Å; D303-Q327 VanDerWaalsContact O-CA 3.3Å; D303-Q327 WeakPolarHBondContact O-CA 3.48Å; D303-Q327 PolarHBondContact OD1-NE2 3.1Å; D303-Q327 PolarHBondContact OD2-NE2 3.4Å; L304-Q327 HydrophobicContact CD1-CG 4.08Å |
| 328 | N | 98 | Very high | 95.6 | Very high | 33 Ų | 33 | 29.4 Ų | 29.4 | 18% | 0.176 | 15% | 0.15 | C | C | . | . | trans | -152.8 | 120.6 | 174.3 | -179.3 | -63 | 0 | 0 | 0 | 108.9 | W40 D303 F326 N330 V331 H332 | W40-N328 WeakPolarHBondContact CH2-ND2 3.11Å; W40-N328 VanDerWaalsContact CZ2-ND2 3.25Å; W40-N328 WeakPolarHBondContact CZ2-ND2 3.41Å; D303-N328 CarbonylContact O-C 3.59Å; D303-N328 PolarHBondContact O-N 2.81Å; F326-N328 HydrophobicContact CD2-CB 3.78Å; F326-N328 HydrophobicContact CE2-CB 3.61Å; N328-N330 PolarHBondContact O-N 3.23Å; N328-N330 WeakPolarHBondContact OD1-CB 3.42Å; N328-N330 PolarHBondContact OD1-N 2.89Å; N328-V331 HydrophobicContact CB-CB 4.1Å; N328-V331 HydrophobicContact CB-CG2 4.1Å; N328-V331 PolarHBondContact O-N 3.15Å; N328-V331 PolarHBondContact OD1-N 3.17Å; N328-H332 VanDerWaalsContact O-CB 3.3Å; N328-H332 WeakPolarHBondContact O-CB 3.47Å; N328-H332 PolarHBondContact O-N 3.31Å | ||
| 329 | Q | 97.8 | Very high | 96 | Very high | 95 Ų | 95 | 25.5 Ų | 25.5 | 44% | 0.444 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -63.1 | -44.5 | -174.8 | -171.5 | 58.3 | 57.1 | 0 | 0 | 112.3 | D303 H332 D333 | D303-Q329 HydrophobicContact CB-CB 4.42Å; Q329-H332 PolarHBondContact O-N 3.36Å; Q329-D333 PolarHBondContact NE2-OD1 3.24Å; Q329-D333 PolarHBondContact NE2-OD2 2.94Å; Q329-D333 WeakPolarHBondContact O-CB 3.39Å; Q329-D333 VanDerWaalsContact O-CG 3.23Å; Q329-D333 PolarHBondContact O-N 3.03Å |
| 330 | N | 97.6 | Very high | 96.4 | Very high | 45 Ų | 45 | 27.9 Ų | 27.9 | 24% | 0.241 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.2 | -46.6 | -179.1 | -72.1 | -9.3 | 0 | 0 | 0 | 111.8 | A62 N328 D333 I334 | A62-N330 HydrophobicContact CB-CB 4.16Å; N328-N330 PolarHBondContact O-N 3.23Å; N328-N330 WeakPolarHBondContact OD1-CB 3.42Å; N328-N330 PolarHBondContact OD1-N 2.89Å; N330-D333 PolarHBondContact O-N 3.23Å; N330-I334 VanDerWaalsContact O-CG1 3.3Å; N330-I334 WeakPolarHBondContact O-CG1 3.44Å; N330-I334 PolarHBondContact O-N 3.5Å; N330-I334 VanDerWaalsContact O-N 3.13Å |
| 331 | V | 98.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.2 | -47.5 | 175.4 | 174.5 | 0 | 0 | 0 | 0 | 110.1 | W40 I42 F305 F326 N328 D333 I334 F335 | W40-V331 HydrophobicContact CH2-CG2 3.83Å; W40-V331 HydrophobicContact CZ3-CG2 3.91Å; I42-V331 HydrophobicContact CD1-CB 4.33Å; I42-V331 HydrophobicContact CD1-CG1 3.39Å; I42-V331 HydrophobicContact CD1-CG2 3.92Å; F305-V331 HydrophobicContact CB-CG1 3.65Å; F305-V331 HydrophobicContact CD1-CG1 3.82Å; F305-V331 HydrophobicContact CD2-CG1 4.07Å; F305-V331 HydrophobicContact CE1-CG1 4.48Å; F305-V331 HydrophobicContact CG-CG1 3.56Å; F326-V331 HydrophobicContact CE2-CB 4.31Å; F326-V331 HydrophobicContact CE2-CG1 4.34Å; F326-V331 HydrophobicContact CE2-CG2 4.04Å; F326-V331 HydrophobicContact CZ-CG1 4.17Å; F326-V331 HydrophobicContact CZ-CG2 4.23Å; N328-V331 HydrophobicContact CB-CB 4.1Å; N328-V331 HydrophobicContact CB-CG2 4.1Å; N328-V331 PolarHBondContact O-N 3.15Å; N328-V331 PolarHBondContact OD1-N 3.17Å; V331-D333 VanDerWaalsContact C-N 3.31Å; V331-D333 PolarHBondContact O-N 3.3Å; V331-I334 PolarHBondContact O-N 3.47Å; V331-F335 HydrophobicContact CG1-CD2 3.97Å; V331-F335 HydrophobicContact CG1-CE2 4.05Å; V331-F335 VanDerWaalsContact O-CD2 3.31Å; V331-F335 WeakPolarHBondContact O-CD2 3.33Å; V331-F335 PolarHBondContact O-N 2.85Å |
| 332 | H | 98.6 | Very high | 97 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.4 | -45.5 | 178.4 | 174.2 | -105.7 | 0 | 0 | 0 | 112.3 | S299 S302 L304 N328 Q329 F335 K336 | S299-H332 PolarHBondContact O-NE2 3.22Å; S302-H332 PolarHBondContact O-CD2 3.34Å; S302-H332 PolarHBondContact O-CE1 3.33Å; S302-H332 PolarHBondContact O-NE2 2.9Å; L304-H332 PolarHBondContact O-CD2 2.79Å; N328-H332 VanDerWaalsContact O-CB 3.3Å; N328-H332 WeakPolarHBondContact O-CB 3.47Å; N328-H332 PolarHBondContact O-N 3.31Å; Q329-H332 PolarHBondContact O-N 3.36Å; H332-F335 PolarHBondContact O-N 2.9Å; H332-K336 WeakPolarHBondContact O-CB 3.49Å; H332-K336 PolarHBondContact O-N 3.28Å |
| 333 | D | 98.1 | Very high | 97.1 | Very high | 62 Ų | 62 | 39.4 Ų | 39.4 | 33% | 0.332 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.8 | -41.7 | -178.7 | -72.4 | -28.1 | 0 | 0 | 0 | 112.3 | A62 Q329 N330 V331 F335 K336 E337 | A62-D333 HydrophobicContact CB-CB 3.81Å; Q329-D333 PolarHBondContact NE2-OD1 3.24Å; Q329-D333 PolarHBondContact NE2-OD2 2.94Å; Q329-D333 WeakPolarHBondContact O-CB 3.39Å; Q329-D333 VanDerWaalsContact O-CG 3.23Å; Q329-D333 PolarHBondContact O-N 3.03Å; N330-D333 PolarHBondContact O-N 3.23Å; V331-D333 VanDerWaalsContact C-N 3.31Å; V331-D333 PolarHBondContact O-N 3.3Å; D333-F335 PolarHBondContact O-N 2.67Å; D333-K336 PolarHBondContact O-N 2.72Å; D333-E337 PolarHBondContact O-N 3.23Å |
| 334 | I | 97.9 | Very high | 97 | Very high | 8 Ų | 8 | 41.4 Ų | 41.4 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.2 | -53.2 | 174.6 | -68.6 | 164.5 | 0 | 0 | 0 | 110.7 | H55 A62 W64 N330 V331 K336 E337 M338 | H55-I334 HydrophobicContact CB-CD1 4.39Å; A62-I334 VanDerWaalsContact C-CG1 3.47Å; W64-I334 HydrophobicContact CD2-CG2 4.24Å; W64-I334 VanDerWaalsContact CE2-CG2 3.48Å; W64-I334 HydrophobicContact CZ2-CG2 3.72Å; W64-I334 VanDerWaalsContact NE1-CG2 3.29Å; N330-I334 VanDerWaalsContact O-CG1 3.3Å; N330-I334 WeakPolarHBondContact O-CG1 3.44Å; N330-I334 PolarHBondContact O-N 3.5Å; N330-I334 VanDerWaalsContact O-N 3.13Å; V331-I334 PolarHBondContact O-N 3.47Å; I334-K336 VanDerWaalsContact C-N 3.3Å; I334-K336 PolarHBondContact O-N 2.87Å; I334-E337 PolarHBondContact O-N 2.82Å; I334-M338 HydrophobicContact CG2-SD 4.31Å; I334-M338 WeakPolarHBondContact O-CG 3.28Å; I334-M338 PolarHBondContact O-N 2.94Å |
| 335 | F | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -72.2 | -26.6 | -178.1 | -78.4 | -93.3 | 0 | 0 | 0 | 112.2 | I42 Y44 W64 L147 W296 I298 F305 V331 H332 D333 M338 A339 | I42-F335 HydrophobicContact CD1-CE2 4.41Å; Y44-F335 HydrophobicContact CD2-CE1 4.18Å; Y44-F335 HydrophobicContact CD2-CZ 4.12Å; Y44-F335 AromaticContact CE2-CE1 3.92Å; Y44-F335 HydrophobicContact CE2-CE1 3.92Å; Y44-F335 HydrophobicContact CE2-CZ 4.33Å; W64-F335 AromaticContact CH2-CE2 3.89Å; W64-F335 HydrophobicContact CH2-CE2 3.89Å; W64-F335 AromaticContact CH2-CZ 3.94Å; W64-F335 HydrophobicContact CH2-CZ 3.94Å; W64-F335 AromaticContact CZ2-CE2 3.91Å; W64-F335 HydrophobicContact CZ2-CE2 3.91Å; W64-F335 AromaticContact CZ2-CZ 3.95Å; W64-F335 HydrophobicContact CZ2-CZ 3.95Å; L147-F335 HydrophobicContact CD1-CE1 4.46Å; L147-F335 HydrophobicContact CD1-CZ 3.91Å; W296-F335 AromaticContact CD1-CE1 3.93Å; W296-F335 AromaticContact CD2-CD1 3.6Å; W296-F335 HydrophobicContact CD2-CD1 3.6Å; W296-F335 AromaticContact CD2-CE1 3.92Å; W296-F335 HydrophobicContact CD2-CE1 3.92Å; W296-F335 AromaticContact CE2-CD1 3.64Å; W296-F335 AromaticContact CE2-CE1 3.9Å; W296-F335 AromaticContact CE3-CD1 3.82Å; W296-F335 HydrophobicContact CE3-CD1 3.82Å; W296-F335 HydrophobicContact CG-CD1 4.11Å; W296-F335 AromaticContact CG-CE1 3.96Å; W296-F335 HydrophobicContact CG-CE1 3.96Å; W296-F335 HydrophobicContact CH2-CD1 4.16Å; W296-F335 AromaticContact CZ2-CD1 3.95Å; W296-F335 HydrophobicContact CZ2-CD1 3.95Å; W296-F335 HydrophobicContact CZ3-CB 4.34Å; W296-F335 HydrophobicContact CZ3-CD1 4.1Å; W296-F335 AromaticContact NE1-CE1 3.87Å; I298-F335 HydrophobicContact CD1-CB 4.47Å; I298-F335 HydrophobicContact CG2-CB 3.61Å; I298-F335 HydrophobicContact CG2-CG 4.44Å; F305-F335 HydrophobicContact CD2-CB 4.36Å; F305-F335 HydrophobicContact CD2-CD1 4.11Å; F305-F335 AromaticContact CD2-CD2 3.72Å; F305-F335 HydrophobicContact CD2-CD2 3.72Å; F305-F335 HydrophobicContact CD2-CE1 4.33Å; F305-F335 AromaticContact CD2-CE2 3.96Å; F305-F335 HydrophobicContact CD2-CE2 3.96Å; F305-F335 AromaticContact CD2-CG 3.79Å; F305-F335 HydrophobicContact CD2-CG 3.79Å; F305-F335 HydrophobicContact CD2-CZ 4.26Å; F305-F335 AromaticContact CE2-CD1 3.6Å; F305-F335 HydrophobicContact CE2-CD1 3.6Å; F305-F335 AromaticContact CE2-CD2 3.68Å; F305-F335 HydrophobicContact CE2-CD2 3.68Å; F305-F335 AromaticContact CE2-CE1 3.42Å; F305-F335 HydrophobicContact CE2-CE1 3.42Å; F305-F335 VanDerWaalsContact CE2-CE1 3.42Å; F305-F335 AromaticContact CE2-CE2 3.52Å; F305-F335 HydrophobicContact CE2-CE2 3.52Å; F305-F335 AromaticContact CE2-CG 3.72Å; F305-F335 HydrophobicContact CE2-CG 3.72Å; F305-F335 AromaticContact CE2-CZ 3.38Å; F305-F335 HydrophobicContact CE2-CZ 3.38Å; F305-F335 HydrophobicContact CZ-CD2 4.49Å; F305-F335 HydrophobicContact CZ-CE1 4.05Å; F305-F335 AromaticContact CZ-CE2 3.92Å; F305-F335 HydrophobicContact CZ-CE2 3.92Å; F305-F335 AromaticContact CZ-CZ 3.67Å; F305-F335 HydrophobicContact CZ-CZ 3.67Å; V331-F335 HydrophobicContact CG1-CD2 3.97Å; V331-F335 HydrophobicContact CG1-CE2 4.05Å; V331-F335 VanDerWaalsContact O-CD2 3.31Å; V331-F335 WeakPolarHBondContact O-CD2 3.33Å; V331-F335 PolarHBondContact O-N 2.85Å; H332-F335 PolarHBondContact O-N 2.9Å; D333-F335 PolarHBondContact O-N 2.67Å; F335-M338 HydrophobicContact CD1-CE 3.86Å; F335-M338 HydrophobicContact CD1-SD 4.25Å; F335-M338 HydrophobicContact CE1-CE 4.07Å; F335-A339 WeakPolarHBondContact O-CB 3.14Å; F335-A339 PolarHBondContact O-N 3.03Å |
| 336 | K | 97.8 | Very high | 96.5 | Very high | 35 Ų | 35 | 47.6 Ų | 47.6 | 15% | 0.152 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.4 | -42 | 174.5 | -175.3 | 67.6 | -175.2 | -170.5 | 0 | 111.6 | L248 I298 K300 H332 D333 I334 M338 A339 N340 | L248-K336 HydrophobicContact CD1-CD 4.24Å; I298-K336 VanDerWaalsContact CD1-CA 3.48Å; I298-K336 HydrophobicContact CD1-CB 3.93Å; I298-K336 HydrophobicContact CD1-CD 3.8Å; K300-K336 PolarHBondContact O-NZ 3.33Å; H332-K336 WeakPolarHBondContact O-CB 3.49Å; H332-K336 PolarHBondContact O-N 3.28Å; D333-K336 PolarHBondContact O-N 2.72Å; I334-K336 VanDerWaalsContact C-N 3.3Å; I334-K336 PolarHBondContact O-N 2.87Å; K336-M338 VanDerWaalsContact C-N 3.34Å; K336-A339 PolarHBondContact O-N 3.18Å; K336-N340 WeakPolarHBondContact CE-OD1 3.47Å; K336-N340 WeakPolarHBondContact O-CB 3.18Å; K336-N340 PolarHBondContact O-N 2.73Å; K336-N340 PolarHBondContact O-ND2 3.38Å |
| 337 | E | 96.2 | Very high | 96.2 | Very high | 89 Ų | 89 | 48.4 Ų | 48.4 | 42% | 0.416 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.9 | -48.1 | 172.8 | -175.3 | 175.8 | 171.9 | 0 | 0 | 110.4 | K280 D333 I334 A339 N340 K341 | K280-E337 WeakPolarHBondContact CD-OE1 3.16Å; K280-E337 IonicContact NZ-OE1 3.34Å; K280-E337 PolarHBondContact NZ-OE1 3.21Å; D333-E337 PolarHBondContact O-N 3.23Å; I334-E337 PolarHBondContact O-N 2.82Å; E337-A339 PolarHBondContact O-N 3.14Å; E337-N340 PolarHBondContact O-N 2.89Å; E337-K341 WeakPolarHBondContact O-CB 3.46Å; E337-K341 PolarHBondContact O-N 2.83Å |
| 338 | M | 96.8 | Very high | 95.3 | Very high | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.2 | -50.7 | 175.9 | -72.5 | 170.8 | 38.6 | 0 | 0 | 112.3 | Y44 I277 V278 L279 W296 I334 F335 K336 N340 K341 A342 | Y44-M338 HydrophobicContact CE2-CE 3.97Å; I277-M338 HydrophobicContact CB-CE 4.41Å; I277-M338 HydrophobicContact CD1-CE 3.65Å; V278-M338 WeakPolarHBondContact O-CG 3.34Å; L279-M338 HydrophobicContact CD1-CE 4.09Å; L279-M338 HydrophobicContact CD1-SD 4.12Å; L279-M338 HydrophobicContact CG-SD 4.17Å; W296-M338 HydrophobicContact CH2-CE 4.38Å; W296-M338 HydrophobicContact CZ2-CE 3.6Å; I334-M338 HydrophobicContact CG2-SD 4.31Å; I334-M338 WeakPolarHBondContact O-CG 3.28Å; I334-M338 PolarHBondContact O-N 2.94Å; F335-M338 HydrophobicContact CD1-CE 3.86Å; F335-M338 HydrophobicContact CD1-SD 4.25Å; F335-M338 HydrophobicContact CE1-CE 4.07Å; K336-M338 VanDerWaalsContact C-N 3.34Å; M338-N340 PolarHBondContact O-N 3.03Å; M338-K341 PolarHBondContact O-N 3.41Å; M338-A342 WeakPolarHBondContact O-CB 3.23Å; M338-A342 PolarHBondContact O-N 2.89Å; M338-A342 VanDerWaalsContact O-N 3.08Å |
| 339 | A | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L248 V272 W296 I298 F335 K336 E337 K343 L344 | L248-A339 HydrophobicContact CD1-CB 4.25Å; V272-A339 HydrophobicContact CG1-CB 4.38Å; V272-A339 HydrophobicContact CG2-CB 3.75Å; W296-A339 HydrophobicContact CH2-CB 4.24Å; I298-A339 HydrophobicContact CD1-CB 4.2Å; F335-A339 WeakPolarHBondContact O-CB 3.14Å; F335-A339 PolarHBondContact O-N 3.03Å; K336-A339 PolarHBondContact O-N 3.18Å; E337-A339 PolarHBondContact O-N 3.14Å; A339-K343 PolarHBondContact O-N 2.95Å; A339-K343 VanDerWaalsContact O-N 3.09Å; A339-L344 HydrophobicContact CB-CD2 4.48Å |
| 340 | N | 95 | Very high | 95 | Very high | 89 Ų | 89 | 56.3 Ų | 56.3 | 48% | 0.476 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 179.4 | -72.9 | -18.4 | 0 | 0 | 0 | 111.5 | K336 E337 M338 K343 | K336-N340 WeakPolarHBondContact CE-OD1 3.47Å; K336-N340 WeakPolarHBondContact O-CB 3.18Å; K336-N340 PolarHBondContact O-N 2.73Å; K336-N340 PolarHBondContact O-ND2 3.38Å; E337-N340 PolarHBondContact O-N 2.89Å; M338-N340 PolarHBondContact O-N 3.03Å; N340-K343 PolarHBondContact O-N 2.84Å; N340-K343 VanDerWaalsContact O-N 3.15Å |
| 341 | K | 94.7 | Very high | 94.8 | Very high | 94 Ų | 94 | 56.9 Ų | 56.9 | 41% | 0.409 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 178.3 | -170.4 | 164.6 | 175.2 | -177.7 | 0 | 111.7 | V278 E284 E337 M338 K343 | V278-K341 HydrophobicContact CB-CD 3.98Å; V278-K341 HydrophobicContact CG2-CD 4.13Å; E284-K341 IonicContact OE1-NZ 3.73Å; E284-K341 PolarHBondContact OE1-NZ 2.94Å; E284-K341 IonicContact OE2-NZ 3.25Å; E284-K341 PolarHBondContact OE2-NZ 2.95Å; E337-K341 WeakPolarHBondContact O-CB 3.46Å; E337-K341 PolarHBondContact O-N 2.83Å; M338-K341 PolarHBondContact O-N 3.41Å; K341-K343 PolarHBondContact O-N 2.98Å |
| 342 | A | 95.3 | Very high | 94.6 | Very high | 10 Ų | 10 | 60.2 Ų | 60.2 | 8% | 0.083 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.9 | -24.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | V272 N273 E276 I277 M338 | V272-A342 HydrophobicContact CG1-CB 3.65Å; N273-A342 WeakPolarHBondContact CB-O 3.1Å; N273-A342 PolarHBondContact ND2-O 3.28Å; E276-A342 WeakPolarHBondContact O-CB 3.21Å; I277-A342 HydrophobicContact CG2-CB 4.02Å; M338-A342 WeakPolarHBondContact O-CB 3.23Å; M338-A342 PolarHBondContact O-N 2.89Å; M338-A342 VanDerWaalsContact O-N 3.08Å |
| 343 | K | 94.3 | Very high | 94.4 | Very high | 150 Ų | 150 | 63.4 Ų | 63.4 | 65% | 0.652 | 31% | 0.307 | S | S | * | . | trans | 70.4 | 171.4 | -168.7 | -49.5 | 174.4 | -178.6 | 176.4 | 0 | 112.1 | N273 A339 N340 K341 | N273-K343 VanDerWaalsContact CB-O 3.24Å; N273-K343 WeakPolarHBondContact CB-O 3.18Å; N273-K343 PolarHBondContact N-O 3.13Å; A339-K343 PolarHBondContact O-N 2.95Å; A339-K343 VanDerWaalsContact O-N 3.09Å; N340-K343 PolarHBondContact O-N 2.84Å; N340-K343 VanDerWaalsContact O-N 3.15Å; K341-K343 PolarHBondContact O-N 2.98Å | ||
| 344 | L | 94.6 | Very high | 94.1 | Very high | 41 Ų | 41 | 63.5 Ų | 63.5 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 148.4 | -173.5 | -53.9 | 177.2 | 0 | 0 | 0 | 111.3 | L248 N271 V272 A339 S346 | L248-L344 HydrophobicContact CD1-CD1 4.08Å; L248-L344 HydrophobicContact CD1-CD2 4.08Å; L248-L344 HydrophobicContact CD2-CD1 3.61Å; L248-L344 HydrophobicContact CD2-CD2 4.04Å; L248-L344 HydrophobicContact CD2-CG 4.44Å; L248-L344 HydrophobicContact CG-CD1 4.49Å; L248-L344 HydrophobicContact CG-CD2 4.45Å; N271-L344 WeakPolarHBondContact O-CA 3.35Å; V272-L344 HydrophobicContact CB-CD2 4.39Å; V272-L344 HydrophobicContact CG2-CD2 3.93Å; A339-L344 HydrophobicContact CB-CD2 4.48Å; L344-S346 WeakPolarHBondContact CB-OG 3.46Å; L344-S346 PolarHBondContact O-N 2.98Å |
| 345 | Q | 94.3 | Very high | 93.9 | Very high | 78 Ų | 78 | 67.5 Ų | 67.5 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 69.5 | 159.9 | -62.9 | -179.1 | -11.6 | 0 | 0 | 108.4 | S261 N271 | S261-Q345 WeakPolarHBondContact CB-O 3.26Å; S261-Q345 PolarHBondContact OG-O 2.84Å; N271-Q345 HydrophobicContact CB-CB 4.2Å; N271-Q345 HydrophobicContact CB-CG 4.34Å; N271-Q345 PolarHBondContact ND2-OE1 2.86Å; N271-Q345 PolarHBondContact O-N 3.23Å |
| 346 | S | 90.1 | Very high | 93.5 | Very high | 63 Ų | 63 | 72.6 Ų | 72.6 | 44% | 0.441 | 35% | 0.349 | S | S | . | . | trans | -64.7 | 146.8 | -167.9 | -72.7 | 0 | 0 | 0 | 0 | 114 | E270 L344 K348 | E270-S346 WeakPolarHBondContact OE1-CA 3.42Å; E270-S346 WeakPolarHBondContact OE1-CB 3.43Å; E270-S346 PolarHBondContact OE1-OG 2.82Å; L344-S346 WeakPolarHBondContact CB-OG 3.46Å; L344-S346 PolarHBondContact O-N 2.98Å; S346-K348 PolarHBondContact O-N 3.49Å | ||
| 347 | C | 91.5 | Very high | 93.2 | Very high | 20 Ų | 20 | 75.8 Ų | 75.8 | 14% | 0.135 | 37% | 0.366 | C | S | . | . | trans | -66.9 | 118.4 | 164.8 | -67.7 | 0 | 0 | 0 | 0 | 109 | C263 K268 E270 | C263-C347 WeakPolarHBondContact CA-SG 3.03Å; C263-C347 HydrophobicContact CB-CB 3.56Å; C263-C347 WeakPolarHBondContact CB-SG 3.42Å; C263-C347 WeakPolarHBondContact SG-CA 3.46Å; C263-C347 WeakPolarHBondContact SG-CB 3.3Å; C263-C347 CovalentContact SG-SG 2.03Å; C263-C347 PolarHBondContact SG-SG 3.33Å; K268-C347 HydrophobicContact CD-CB 4.09Å; E270-C347 HydrophobicContact CG-CB 4.3Å; E270-C347 VanDerWaalsContact CG-SG 3.59Å; E270-C347 PolarHBondContact OE1-N 3.27Å | ||
| 348 | K | 78.4 | Confident | 92.9 | Very high | 270 Ų | 270 | 74.5 Ų | 74.5 | 100% | 1.174 | 36% | 0.361 | S | S | * | . | trans | -79.5 | 0 | 174.8 | -66.6 | -173.9 | 179.3 | -178 | 0 | 111.2 | S346 | S346-K348 PolarHBondContact O-N 3.49Š|
Retrieved 348 of 348 residues in 321.2 ms
(Link to these results)