| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.5 | Very low | 40.8 | Very low | 235 Ų | 235 | 122.5 Ų | 122.5 | 100% | 1.158 | 83% | 0.828 | S | S | * | * | 0 | 119 | 0 | -82.4 | 166.7 | 171.1 | 0 | 0 | 108 | |||||
| 2 | T | 39.4 | Very low | 41.4 | Very low | 133 Ų | 133 | 122 Ų | 122 | 82% | 0.816 | 82% | 0.819 | S | S | * | * | trans | 55.4 | 98.8 | 160.1 | 56.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 3 | Q | 38.6 | Very low | 42.2 | Very low | 194 Ų | 194 | 123.1 Ų | 123.1 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | trans | -67.9 | 133.4 | 146.5 | -61.9 | 178.4 | 21.9 | 0 | 0 | 108.9 | ||||
| 4 | N | 37 | Very low | 43.5 | Very low | 162 Ų | 162 | 128.4 Ų | 128.4 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | trans | -112.2 | 91.2 | 162.7 | -93.6 | -8.7 | 0 | 0 | 0 | 108.2 | A6 | N4-A6 PolarHBondContact O-N 3.33Š| ||
| 5 | G | 35.7 | Very low | 45.5 | Very low | 76 Ų | 76 | 133.1 Ų | 133.1 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | trans | -78.2 | 109.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109 | G7 | G5-G7 PolarHBondContact O-N 3.49Š| ||
| 6 | A | 43.6 | Very low | 47.8 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | -67.7 | 108.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | N4 | N4-A6 PolarHBondContact O-N 3.33Š| ||
| 7 | G | 41 | Very low | 50.3 | Low | 63 Ų | 63 | 124.4 Ų | 124.4 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | trans | -65.9 | 140.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | G5 G9 | G5-G7 PolarHBondContact O-N 3.49Å; G7-G9 PolarHBondContact O-N 3.22Å; G7-G9 VanDerWaalsContact O-N 3.14Å | ||
| 8 | P | 46.1 | Very low | 52.9 | Low | 129 Ų | 129 | 122.8 Ų | 122.8 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | trans | -68.6 | 115.8 | 174.1 | 23.8 | -22.4 | 0 | 0 | 0 | 108 | S10 | P8-S10 PolarHBondContact O-N 3.17Š| ||
| 9 | G | 42.3 | Very low | 55.3 | Low | 77 Ų | 77 | 116.4 Ų | 116.4 | 79% | 0.794 | 71% | 0.711 | S | S | * | * | trans | -55 | 114.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | G7 G11 | G7-G9 PolarHBondContact O-N 3.22Å; G7-G9 VanDerWaalsContact O-N 3.14Å; G9-G11 PolarHBondContact O-N 3.39Å | ||
| 10 | S | 44.1 | Very low | 57.4 | Low | 108 Ų | 108 | 112 Ų | 112 | 76% | 0.755 | 68% | 0.681 | S | S | * | * | trans | -63.1 | 82.8 | 168.8 | 159.3 | 0 | 0 | 0 | 0 | 108.6 | P8 T12 | P8-S10 PolarHBondContact O-N 3.17Å; S10-T12 VanDerWaalsContact C-N 3.27Å; S10-T12 PolarHBondContact O-N 3.13Å | ||
| 11 | G | 42.4 | Very low | 59.3 | Low | 67 Ų | 67 | 106.7 Ų | 106.7 | 69% | 0.691 | 65% | 0.649 | S | S | * | * | trans | -66.2 | 89.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | G9 T13 | G9-G11 PolarHBondContact O-N 3.39Å; G11-T13 VanDerWaalsContact C-N 3.32Å; G11-T13 PolarHBondContact O-N 3.18Å | ||
| 12 | T | 48.5 | Very low | 62.2 | Low | 117 Ų | 117 | 95.5 Ų | 95.5 | 72% | 0.718 | 59% | 0.594 | S | S | * | * | trans | -61 | 101.2 | 164.4 | 47.5 | 0 | 0 | 0 | 0 | 106.8 | S10 K14 | S10-T12 VanDerWaalsContact C-N 3.27Å; S10-T12 PolarHBondContact O-N 3.13Å; T12-K14 PolarHBondContact O-N 3.41Å | ||
| 13 | T | 51.6 | Low | 65 | Low | 136 Ų | 136 | 89.2 Ų | 89.2 | 83% | 0.834 | 56% | 0.555 | S | S | * | * | trans | -55.7 | 107.8 | 169.7 | 35.6 | 0 | 0 | 0 | 0 | 107.1 | G11 K15 | G11-T13 VanDerWaalsContact C-N 3.32Å; G11-T13 PolarHBondContact O-N 3.18Å; T13-K15 PolarHBondContact O-N 3.07Å | ||
| 14 | K | 60.4 | Low | 67.9 | Low | 198 Ų | 198 | 80 Ų | 80 | 86% | 0.861 | 51% | 0.512 | S | S | * | . | trans | -59.2 | 110.4 | 174.8 | -91.9 | -180 | 177.4 | 171.3 | 0 | 106.8 | T12 V16 | T12-K14 PolarHBondContact O-N 3.41Å; K14-V16 PolarHBondContact O-N 3.44Å | ||
| 15 | K | 72.9 | Confident | 70.8 | Confident | 199 Ų | 199 | 72.2 Ų | 72.2 | 87% | 0.865 | 47% | 0.471 | S | S | * | . | trans | -57.8 | 114.7 | 174.2 | -172.3 | 173.9 | -177.1 | 173 | 0 | 108 | T13 E17 | T13-K15 PolarHBondContact O-N 3.07Å; K15-E17 PolarHBondContact O-N 2.98Å | ||
| 16 | V | 81.9 | Confident | 73.8 | Confident | 79 Ų | 79 | 69.7 Ų | 69.7 | 48% | 0.479 | 44% | 0.439 | S | S | . | . | trans | -58.2 | 129.8 | 174.5 | 178.1 | 0 | 0 | 0 | 0 | 107.8 | K14 E18 K67 | K14-V16 PolarHBondContact O-N 3.44Å; V16-E18 PolarHBondContact O-N 3.03Å; V16-K67 HydrophobicContact CG1-CB 4.18Å | ||
| 17 | E | 91.9 | Very high | 76.3 | Confident | 38 Ų | 38 | 66.4 Ų | 66.4 | 18% | 0.178 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 120.2 | 178.2 | -171.7 | 145.9 | -133.3 | 0 | 0 | 108.1 | K15 I66 K67 L192 R199 | K15-E17 PolarHBondContact O-N 2.98Å; E17-I66 WeakPolarHBondContact O-CA 3.43Å; E17-I66 WeakPolarHBondContact O-CG2 3.49Å; E17-K67 PolarHBondContact O-N 3.33Å; E17-L192 HydrophobicContact CG-CD2 3.78Å; E17-L192 VanDerWaalsContact OE2-CD2 3.28Å; E17-L192 WeakPolarHBondContact OE2-CD2 3.45Å; E17-R199 IonicContact OE1-CZ 3.21Å; E17-R199 IonicContact OE1-NH1 2.95Å; E17-R199 PolarHBondContact OE1-NH1 3.12Å; E17-R199 IonicContact OE1-NH2 2.64Å; E17-R199 PolarHBondContact OE1-NH2 3.49Å |
| 18 | E | 96 | Very high | 78.9 | Confident | 97 Ų | 97 | 64.8 Ų | 64.8 | 45% | 0.453 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 137.5 | 179 | -52.7 | -160.6 | 162.1 | 0 | 0 | 109.8 | V16 K67 | V16-E18 PolarHBondContact O-N 3.03Å; E18-K67 CarbonylContact C-O 3.52Å; E18-K67 WeakPolarHBondContact CA-O 3.44Å; E18-K67 HydrophobicContact CG-CB 4.14Å; E18-K67 HydrophobicContact CG-CD 4.07Å; E18-K67 VanDerWaalsContact OE1-CD 3.27Å; E18-K67 WeakPolarHBondContact OE1-CD 3.46Å; E18-K67 IonicContact OE1-NZ 2.65Å; E18-K67 PolarHBondContact OE1-NZ 3.41Å; E18-K67 IonicContact OE2-NZ 3.18Å |
| 19 | L | 97.8 | Very high | 81.3 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 143.3 | 174.8 | -58.8 | 172.6 | 0 | 0 | 0 | 110.1 | I66 K67 L68 N69 N91 T188 A191 L192 N195 | L19-I66 HydrophobicContact CD1-CG2 3.64Å; L19-I66 HydrophobicContact CG-CG2 3.87Å; L19-K67 PolarHBondContact N-O 2.91Å; L19-L68 HydrophobicContact CB-CD2 3.95Å; L19-L68 HydrophobicContact CD1-CD2 4.04Å; L19-L68 HydrophobicContact CG-CD2 4.48Å; L19-N69 PolarHBondContact O-N 2.98Å; L19-N69 PolarHBondContact O-ND2 3.15Å; L19-N91 VanDerWaalsContact CA-OD1 3.29Å; L19-N91 WeakPolarHBondContact CA-OD1 3.41Å; L19-N91 HydrophobicContact CD2-CB 4.22Å; L19-T188 HydrophobicContact CD1-CG2 3.91Å; L19-A191 HydrophobicContact CD1-CB 3.89Å; L19-A191 HydrophobicContact CD2-CB 4.18Å; L19-A191 HydrophobicContact CG-CB 4.48Å; L19-L192 HydrophobicContact CD1-CD2 4.05Å; L19-L192 HydrophobicContact CD1-CG 4Å; L19-L192 HydrophobicContact CD2-CD2 4.25Å; L19-L192 HydrophobicContact CG-CD2 4.5Å; L19-N195 WeakPolarHBondContact CD2-ND2 3.49Å |
| 20 | K | 98 | Very high | 83.9 | Confident | 27 Ų | 27 | 55.7 Ų | 55.7 | 12% | 0.117 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 118.4 | 172.2 | 176.4 | 168 | 178.4 | -178.1 | 0 | 109.1 | V22 N69 Y71 S86 Q88 N91 L92 | K20-V22 HydrophobicContact CG-CG2 4.36Å; K20-N69 WeakPolarHBondContact CA-O 3.29Å; K20-Y71 HydrophobicContact CB-CE2 4.43Å; K20-Y71 HydrophobicContact CD-CD2 3.99Å; K20-Y71 HydrophobicContact CD-CE2 3.54Å; K20-Y71 VanDerWaalsContact CE-CE2 3.42Å; K20-Y71 HydrophobicContact CG-CD2 3.66Å; K20-Y71 HydrophobicContact CG-CE2 3.51Å; K20-S86 WeakPolarHBondContact CE-O 3.46Å; K20-S86 PolarHBondContact NZ-O 3.27Å; K20-Q88 WeakPolarHBondContact CE-O 3.07Å; K20-Q88 PolarHBondContact NZ-O 2.75Å; K20-N91 PolarHBondContact N-OD1 3.24Å; K20-N91 PolarHBondContact O-N 3.23Å; K20-L92 PolarHBondContact O-N 3.49Å |
| 21 | I | 98.5 | Very high | 86.5 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 127.7 | 174.3 | -60.2 | 174 | 0 | 0 | 0 | 107.4 | L68 N69 L70 Y71 L92 L94 A187 | I21-L68 HydrophobicContact CD1-CD2 4.29Å; I21-N69 PolarHBondContact N-O 2.78Å; I21-L70 HydrophobicContact CB-CD2 3.97Å; I21-L70 HydrophobicContact CD1-CD2 4.1Å; I21-L70 HydrophobicContact CG1-CD2 4.44Å; I21-L70 WeakPolarHBondContact O-CA 3.46Å; I21-Y71 PolarHBondContact O-N 3.39Å; I21-L92 WeakPolarHBondContact CA-O 3.5Å; I21-L92 HydrophobicContact CG2-CD2 4.06Å; I21-L94 HydrophobicContact CG2-CD1 3.99Å; I21-L94 HydrophobicContact CG2-CG 3.89Å; I21-A187 HydrophobicContact CD1-CB 4.08Å |
| 22 | V | 98.6 | Very high | 89 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 135.6 | 176.7 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | K20 V24 T73 S86 Y87 A90 L92 V93 L94 | K20-V22 HydrophobicContact CG-CG2 4.36Å; V22-V24 HydrophobicContact CG1-CG1 4.2Å; V22-T73 HydrophobicContact CG1-CG2 3.9Å; V22-S86 VanDerWaalsContact CG2-O 3.31Å; V22-S86 WeakPolarHBondContact CG2-O 3.31Å; V22-Y87 HydrophobicContact CG1-CD1 3.98Å; V22-Y87 HydrophobicContact CG1-CE1 3.93Å; V22-A90 HydrophobicContact CG2-CB 3.79Å; V22-L92 PolarHBondContact N-O 2.98Å; V22-L92 VanDerWaalsContact N-O 3.13Å; V22-V93 CarbonylContact O-C 3.47Å; V22-V93 WeakPolarHBondContact O-CA 3.49Å; V22-L94 PolarHBondContact O-N 3.45Å |
| 23 | I | 98.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 136.3 | 174.7 | -166.1 | 163.9 | 0 | 0 | 0 | 110 | K31 L34 L35 Y71 T73 L94 C96 | I23-K31 HydrophobicContact CD1-CB 3.8Å; I23-K31 HydrophobicContact CD1-CG 4.16Å; I23-K31 HydrophobicContact CG1-CB 3.94Å; I23-K31 HydrophobicContact CG1-CD 4.14Å; I23-K31 HydrophobicContact CG1-CG 3.93Å; I23-K31 HydrophobicContact CG2-CB 4.08Å; I23-K31 HydrophobicContact CG2-CD 4.47Å; I23-L34 HydrophobicContact CD1-CD2 4.06Å; I23-L35 HydrophobicContact CD1-CG 4.26Å; I23-L35 HydrophobicContact CG2-CD1 3.51Å; I23-L35 HydrophobicContact CG2-CG 4.15Å; I23-Y71 WeakPolarHBondContact CG2-O 3.17Å; I23-Y71 PolarHBondContact N-O 3.26Å; I23-Y71 VanDerWaalsContact N-O 3.08Å; I23-T73 WeakPolarHBondContact O-CG2 3.49Å; I23-T73 PolarHBondContact O-OG1 2.84Å; I23-L94 WeakPolarHBondContact CA-O 3.33Å; I23-L94 HydrophobicContact CB-CB 4.36Å; I23-L94 HydrophobicContact CD1-CD1 4.41Å; I23-L94 HydrophobicContact CG1-CB 4.03Å; I23-C96 WeakPolarHBondContact CD1-SG 3.45Å; I23-C96 WeakPolarHBondContact CG1-SG 3.42Å |
| 24 | V | 98.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 166.4 | 179.2 | -56.4 | 0 | 0 | 0 | 0 | 110.3 | V22 K31 Y87 V93 L94 I95 C96 W112 V116 | V22-V24 HydrophobicContact CG1-CG1 4.2Å; V24-K31 VanDerWaalsContact C-CD 3.41Å; V24-Y87 HydrophobicContact CG1-CE1 3.71Å; V24-Y87 WeakPolarHBondContact CG1-OH 3.47Å; V24-V93 HydrophobicContact CG2-CG1 4.06Å; V24-L94 PolarHBondContact N-O 2.95Å; V24-I95 HydrophobicContact CG2-CB 4.34Å; V24-I95 HydrophobicContact CG2-CG1 3.74Å; V24-C96 PolarHBondContact O-N 3.35Å; V24-W112 HydrophobicContact CB-CE3 3.88Å; V24-W112 HydrophobicContact CB-CZ3 4.18Å; V24-W112 HydrophobicContact CG2-CE3 4.15Å; V24-V116 HydrophobicContact CG2-CG2 3.87Å |
| 25 | G | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 139.3 | 167.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | K31 G75 C96 W112 | G25-K31 WeakPolarHBondContact O-CE 3.5Å; G25-K31 PolarHBondContact O-NZ 2.96Å; G25-G75 WeakPolarHBondContact O-CA 3.22Å; G25-C96 VanDerWaalsContact CA-O 3.29Å; G25-C96 WeakPolarHBondContact CA-O 3.47Å; G25-W112 VanDerWaalsContact CA-CE2 3.42Å; G25-W112 VanDerWaalsContact O-CZ2 3.31Å; G25-W112 WeakPolarHBondContact O-CZ2 3.36Å |
| 26 | D | 98.3 | Very high | 96.2 | Very high | 22 Ų | 22 | 20.6 Ų | 20.6 | 12% | 0.118 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -54.7 | 155.9 | -174.8 | -82.9 | 22.2 | 0 | 0 | 0 | 113.8 | G28 C29 K31 S104 N107 W112 | D26-G28 PolarHBondContact O-N 3.06Å; D26-C29 HydrophobicContact CB-CB 4.44Å; D26-C29 PolarHBondContact O-N 3.02Å; D26-C29 PolarHBondContact O-SG 3.13Å; D26-K31 PolarHBondContact O-NZ 3.32Å; D26-S104 VanDerWaalsContact OD2-CA 3.29Å; D26-S104 WeakPolarHBondContact OD2-CA 3.47Å; D26-N107 WeakPolarHBondContact OD1-CB 3.39Å; D26-N107 PolarHBondContact OD1-ND2 3.36Å; D26-N107 PolarHBondContact OD2-ND2 2.94Å; D26-W112 PolarHBondContact OD1-NE1 3.14Å |
| 27 | G | 96.1 | Very high | 96.9 | Very high | 35 Ų | 35 | 17.1 Ų | 17.1 | 36% | 0.361 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | 133.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111 | C29 G75 | G27-C29 PolarHBondContact O-N 3.4Å; G27-G75 PolarHBondContact N-O 2.89Å |
| 28 | G | 95.2 | Very high | 97.1 | Very high | 29 Ų | 29 | 16.1 Ų | 16.1 | 30% | 0.299 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 4.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | D26 G30 Y47 K131 | D26-G28 PolarHBondContact O-N 3.06Å; G28-G30 VanDerWaalsContact C-N 3.26Å; G28-G30 PolarHBondContact O-N 3.38Å; G28-Y47 PolarHBondContact N-OH 3.1Å; G28-K131 VanDerWaalsContact O-CE 3.26Å; G28-K131 WeakPolarHBondContact O-CE 3.08Å; G28-K131 PolarHBondContact O-NZ 2.97Å |
| 29 | C | 97.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.014 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -71.6 | -14.8 | -177.8 | 67.6 | 0 | 0 | 0 | 0 | 115 | D26 G27 K31 D98 C130 K131 | D26-C29 HydrophobicContact CB-CB 4.44Å; D26-C29 PolarHBondContact O-N 3.02Å; D26-C29 PolarHBondContact O-SG 3.13Å; G27-C29 PolarHBondContact O-N 3.4Å; C29-K31 VanDerWaalsContact SG-CG 3.59Å; C29-D98 HydrophobicContact CB-CB 4.11Å; C29-C130 WeakPolarHBondContact O-CB 3.47Å; C29-K131 WeakPolarHBondContact O-CE 3.31Å |
| 30 | G | 97.1 | Very high | 96.4 | Very high | 12 Ų | 12 | 19.2 Ų | 19.2 | 12% | 0.124 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 120.3 | 6.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | G28 T32 S33 L34 | G28-G30 VanDerWaalsContact C-N 3.26Å; G28-G30 PolarHBondContact O-N 3.38Å; G30-T32 PolarHBondContact O-N 3.48Å; G30-S33 PolarHBondContact O-N 3.06Å; G30-L34 WeakPolarHBondContact O-CB 3.42Å; G30-L34 PolarHBondContact O-N 3.37Å |
| 31 | K | 97.8 | Very high | 95.9 | Very high | 9 Ų | 9 | 19.3 Ų | 19.3 | 4% | 0.039 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -51.2 | -55.8 | 179.9 | -54.6 | -173.9 | -60.5 | -73.7 | 0 | 113.3 | I23 V24 G25 D26 C29 S33 L34 L35 T73 C96 | I23-K31 HydrophobicContact CD1-CB 3.8Å; I23-K31 HydrophobicContact CD1-CG 4.16Å; I23-K31 HydrophobicContact CG1-CB 3.94Å; I23-K31 HydrophobicContact CG1-CD 4.14Å; I23-K31 HydrophobicContact CG1-CG 3.93Å; I23-K31 HydrophobicContact CG2-CB 4.08Å; I23-K31 HydrophobicContact CG2-CD 4.47Å; V24-K31 VanDerWaalsContact C-CD 3.41Å; G25-K31 WeakPolarHBondContact O-CE 3.5Å; G25-K31 PolarHBondContact O-NZ 2.96Å; D26-K31 PolarHBondContact O-NZ 3.32Å; C29-K31 VanDerWaalsContact SG-CG 3.59Å; K31-S33 PolarHBondContact O-N 3.35Å; K31-L34 WeakPolarHBondContact O-CB 3.42Å; K31-L34 PolarHBondContact O-N 2.92Å; K31-L35 WeakPolarHBondContact O-CG 3.33Å; K31-L35 PolarHBondContact O-N 3.39Å; K31-T73 WeakPolarHBondContact CE-O 3.34Å; K31-C96 HydrophobicContact CG-CB 4.03Å |
| 32 | T | 95.9 | Very high | 95.2 | Very high | 24 Ų | 24 | 25.1 Ų | 25.1 | 15% | 0.147 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.1 | -41.3 | -176.8 | -41.8 | 0 | 0 | 0 | 0 | 111.5 | G30 L34 L35 M36 S50 D72 | G30-T32 PolarHBondContact O-N 3.48Å; T32-L34 PolarHBondContact O-N 3.35Å; T32-L35 PolarHBondContact O-N 3.11Å; T32-M36 HydrophobicContact CG2-CE 3.85Å; T32-M36 HydrophobicContact CG2-CG 4.49Å; T32-M36 HydrophobicContact CG2-SD 4.37Å; T32-M36 WeakPolarHBondContact O-CB 3.37Å; T32-M36 WeakPolarHBondContact O-CG 3.23Å; T32-M36 PolarHBondContact O-N 3.43Å; T32-S50 PolarHBondContact OG1-OG 3.04Å; T32-D72 WeakPolarHBondContact CB-OD2 3.46Å; T32-D72 VanDerWaalsContact CG2-OD2 3.27Å; T32-D72 WeakPolarHBondContact CG2-OD2 3.49Å; T32-D72 PolarHBondContact OG1-OD2 3.39Å |
| 33 | S | 96.3 | Very high | 94.6 | Very high | 25 Ų | 25 | 29.3 Ų | 29.3 | 18% | 0.175 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.8 | -43.8 | 174.6 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | G30 K31 V37 | G30-S33 PolarHBondContact O-N 3.06Å; K31-S33 PolarHBondContact O-N 3.35Å; S33-V37 WeakPolarHBondContact O-CB 3.29Å; S33-V37 WeakPolarHBondContact O-CG2 3.26Å; S33-V37 PolarHBondContact O-N 2.99Å |
| 34 | L | 97.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.9 | -47.2 | 176.5 | 175.1 | 59.6 | 0 | 0 | 0 | 111.4 | I23 G30 K31 T32 Y38 I128 V180 I183 F184 | I23-L34 HydrophobicContact CD1-CD2 4.06Å; G30-L34 WeakPolarHBondContact O-CB 3.42Å; G30-L34 PolarHBondContact O-N 3.37Å; K31-L34 WeakPolarHBondContact O-CB 3.42Å; K31-L34 PolarHBondContact O-N 2.92Å; T32-L34 PolarHBondContact O-N 3.35Å; L34-Y38 WeakPolarHBondContact O-CB 3.41Å; L34-Y38 PolarHBondContact O-N 2.93Å; L34-Y38 VanDerWaalsContact O-N 3.15Å; L34-I128 HydrophobicContact CD2-CG2 4.13Å; L34-V180 HydrophobicContact CD1-CB 4.31Å; L34-V180 HydrophobicContact CD1-CG1 3.91Å; L34-V180 HydrophobicContact CD1-CG2 3.98Å; L34-I183 HydrophobicContact CD1-CD1 4.32Å; L34-I183 HydrophobicContact CD2-CD1 4.5Å; L34-F184 HydrophobicContact CD1-CE2 3.86Å; L34-F184 HydrophobicContact CD1-CZ 4.44Å; L34-F184 HydrophobicContact CD2-CZ 4.5Å; L34-F184 HydrophobicContact CG-CE2 3.97Å; L34-F184 HydrophobicContact CG-CZ 4.04Å |
| 35 | L | 96.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.2 | -43.4 | 178.8 | -72.7 | -176.6 | 0 | 0 | 0 | 113 | I23 K31 T32 Y38 A39 Y55 L70 D72 F184 | I23-L35 HydrophobicContact CD1-CG 4.26Å; I23-L35 HydrophobicContact CG2-CD1 3.51Å; I23-L35 HydrophobicContact CG2-CG 4.15Å; K31-L35 WeakPolarHBondContact O-CG 3.33Å; K31-L35 PolarHBondContact O-N 3.39Å; T32-L35 PolarHBondContact O-N 3.11Å; L35-Y38 PolarHBondContact O-N 3.5Å; L35-A39 WeakPolarHBondContact O-CB 3.21Å; L35-A39 PolarHBondContact O-N 3.11Å; L35-Y55 HydrophobicContact CB-CD2 4.32Å; L35-Y55 HydrophobicContact CB-CE2 4.47Å; L35-Y55 HydrophobicContact CD1-CD2 4.21Å; L35-Y55 HydrophobicContact CD1-CE2 4.46Å; L35-L70 HydrophobicContact CD2-CB 3.72Å; L35-L70 HydrophobicContact CD2-CD1 3.82Å; L35-L70 HydrophobicContact CD2-CG 4.26Å; L35-D72 HydrophobicContact CD1-CB 3.46Å; L35-D72 VanDerWaalsContact CD1-CB 3.46Å; L35-F184 HydrophobicContact CD2-CE1 3.95Å; L35-F184 HydrophobicContact CD2-CZ 3.81Å |
| 36 | M | 93.3 | Very high | 91.8 | Very high | 29 Ų | 29 | 48.9 Ų | 48.9 | 14% | 0.143 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.4 | -42.8 | -178.7 | -75.8 | -166.6 | -59.4 | 0 | 0 | 112.3 | T32 Y38 A39 K40 P44 Y55 | T32-M36 HydrophobicContact CG2-CE 3.85Å; T32-M36 HydrophobicContact CG2-CG 4.49Å; T32-M36 HydrophobicContact CG2-SD 4.37Å; T32-M36 WeakPolarHBondContact O-CB 3.37Å; T32-M36 WeakPolarHBondContact O-CG 3.23Å; T32-M36 PolarHBondContact O-N 3.43Å; M36-Y38 VanDerWaalsContact C-N 3.28Å; M36-Y38 PolarHBondContact O-N 2.86Å; M36-A39 PolarHBondContact O-N 3.01Å; M36-K40 WeakPolarHBondContact O-CA 3.36Å; M36-K40 WeakPolarHBondContact O-CB 3.33Å; M36-K40 PolarHBondContact O-N 3.39Å; M36-P44 HydrophobicContact CE-CB 3.3Å; M36-P44 HydrophobicContact CE-CG 3.24Å; M36-Y55 HydrophobicContact CG-CE1 3.73Å; M36-Y55 WeakPolarHBondContact CG-OH 3.46Å |
| 37 | V | 95.9 | Very high | 90.6 | Very high | 6 Ų | 6 | 55 Ų | 55 | 4% | 0.036 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 176.2 | 170.8 | 0 | 0 | 0 | 0 | 110.2 | S33 G41 F43 A174 Q177 V180 | S33-V37 WeakPolarHBondContact O-CB 3.29Å; S33-V37 WeakPolarHBondContact O-CG2 3.26Å; S33-V37 PolarHBondContact O-N 2.99Å; V37-G41 WeakPolarHBondContact O-CA 3.33Å; V37-G41 PolarHBondContact O-N 2.63Å; V37-F43 HydrophobicContact CG2-CB 3.98Å; V37-F43 HydrophobicContact CG2-CD2 3.9Å; V37-F43 HydrophobicContact CG2-CG 4.43Å; V37-A174 HydrophobicContact CG2-CB 4.14Å; V37-A174 WeakPolarHBondContact CG2-O 3.32Å; V37-Q177 HydrophobicContact CG1-CB 4.32Å; V37-Q177 HydrophobicContact CG1-CG 3.8Å; V37-V180 HydrophobicContact CG1-CG1 4.15Å; V37-V180 HydrophobicContact CG1-CG2 4.17Å |
| 38 | Y | 96.3 | Very high | 89.7 | Confident | 16 Ų | 16 | 56.7 Ų | 56.7 | 6% | 0.063 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.8 | -44.1 | 176.2 | -179.7 | -118.1 | 0 | 0 | 0 | 113.4 | L34 L35 M36 T57 L68 L70 V180 E181 F184 | L34-Y38 WeakPolarHBondContact O-CB 3.41Å; L34-Y38 PolarHBondContact O-N 2.93Å; L34-Y38 VanDerWaalsContact O-N 3.15Å; L35-Y38 PolarHBondContact O-N 3.5Å; M36-Y38 VanDerWaalsContact C-N 3.28Å; M36-Y38 PolarHBondContact O-N 2.86Å; Y38-T57 HydrophobicContact CD1-CG2 4.08Å; Y38-T57 HydrophobicContact CE1-CG2 3.46Å; Y38-T57 VanDerWaalsContact CE1-CG2 3.46Å; Y38-L68 HydrophobicContact CE1-CD1 3.89Å; Y38-L68 WeakPolarHBondContact OH-CD1 3.39Å; Y38-L70 HydrophobicContact CD1-CD1 3.63Å; Y38-L70 HydrophobicContact CE1-CD1 3.98Å; Y38-V180 HydrophobicContact CD2-CG1 4.32Å; Y38-V180 HydrophobicContact CG-CG1 4.45Å; Y38-E181 WeakPolarHBondContact CD2-OE1 3.33Å; Y38-E181 WeakPolarHBondContact CE2-OE2 3.22Å; Y38-F184 HydrophobicContact CD1-CB 4.1Å; Y38-F184 AromaticContact CD1-CD1 3.64Å; Y38-F184 HydrophobicContact CD1-CD1 3.64Å; Y38-F184 AromaticContact CD1-CD2 3.41Å; Y38-F184 HydrophobicContact CD1-CD2 3.41Å; Y38-F184 VanDerWaalsContact CD1-CD2 3.41Å; Y38-F184 AromaticContact CD1-CE1 3.89Å; Y38-F184 HydrophobicContact CD1-CE1 3.89Å; Y38-F184 AromaticContact CD1-CE2 3.69Å; Y38-F184 HydrophobicContact CD1-CE2 3.69Å; Y38-F184 AromaticContact CD1-CG 3.41Å; Y38-F184 HydrophobicContact CD1-CG 3.41Å; Y38-F184 VanDerWaalsContact CD1-CG 3.41Å; Y38-F184 AromaticContact CD1-CZ 3.93Å; Y38-F184 HydrophobicContact CD1-CZ 3.93Å; Y38-F184 HydrophobicContact CD2-CB 4.03Å; Y38-F184 AromaticContact CD2-CD2 3.38Å; Y38-F184 HydrophobicContact CD2-CD2 3.38Å; Y38-F184 HydrophobicContact CD2-CE2 4.08Å; Y38-F184 AromaticContact CD2-CG 3.85Å; Y38-F184 HydrophobicContact CD2-CG 3.85Å; Y38-F184 HydrophobicContact CE1-CB 3.59Å; Y38-F184 AromaticContact CE1-CD1 3.62Å; Y38-F184 HydrophobicContact CE1-CD1 3.62Å; Y38-F184 AromaticContact CE1-CD2 3.85Å; Y38-F184 HydrophobicContact CE1-CD2 3.85Å; Y38-F184 HydrophobicContact CE1-CE1 4.29Å; Y38-F184 HydrophobicContact CE1-CE2 4.5Å; Y38-F184 AromaticContact CE1-CG 3.38Å; Y38-F184 HydrophobicContact CE1-CG 3.38Å; Y38-F184 HydrophobicContact CE2-CB 3.54Å; Y38-F184 AromaticContact CE2-CD2 3.84Å; Y38-F184 HydrophobicContact CE2-CD2 3.84Å; Y38-F184 AromaticContact CE2-CG 3.84Å; Y38-F184 HydrophobicContact CE2-CG 3.84Å; Y38-F184 HydrophobicContact CG-CB 4.29Å; Y38-F184 HydrophobicContact CG-CD1 4.28Å; Y38-F184 AromaticContact CG-CD2 3.15Å; Y38-F184 HydrophobicContact CG-CD2 3.15Å; Y38-F184 HydrophobicContact CG-CE1 4.49Å; Y38-F184 AromaticContact CG-CE2 3.44Å; Y38-F184 HydrophobicContact CG-CE2 3.44Å; Y38-F184 VanDerWaalsContact CG-CE2 3.44Å; Y38-F184 AromaticContact CG-CG 3.65Å; Y38-F184 HydrophobicContact CG-CG 3.65Å; Y38-F184 HydrophobicContact CG-CZ 4.12Å; Y38-F184 AromaticContact CZ-CG 3.62Å |
| 39 | A | 92.3 | Very high | 89 | Confident | 29 Ų | 29 | 59.1 Ų | 59.1 | 24% | 0.24 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -81.3 | -27.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L35 M36 Y55 | L35-A39 WeakPolarHBondContact O-CB 3.21Å; L35-A39 PolarHBondContact O-N 3.11Å; M36-A39 PolarHBondContact O-N 3.01Å; A39-Y55 HydrophobicContact CB-CD1 4.09Å; A39-Y55 HydrophobicContact CB-CG 4.42Å |
| 40 | K | 88.5 | Confident | 88.2 | Confident | 134 Ų | 134 | 59.5 Ų | 59.5 | 58% | 0.583 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -125.1 | -14.2 | -170.9 | -58.7 | -178.9 | 180 | 172.7 | 0 | 113.8 | M36 D42 | M36-K40 WeakPolarHBondContact O-CA 3.36Å; M36-K40 WeakPolarHBondContact O-CB 3.33Å; M36-K40 PolarHBondContact O-N 3.39Å; K40-D42 PolarHBondContact O-N 2.78Å |
| 41 | G | 86.9 | Confident | 87.5 | Confident | 30 Ų | 30 | 62.3 Ų | 62.3 | 31% | 0.309 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 81.2 | -9.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | V37 Q177 | V37-G41 WeakPolarHBondContact O-CA 3.33Å; V37-G41 PolarHBondContact O-N 2.63Å; G41-Q177 PolarHBondContact O-NE2 3.24Å |
| 42 | D | 83.8 | Confident | 86.7 | Confident | 122 Ų | 122 | 65.2 Ų | 65.2 | 65% | 0.652 | 34% | 0.342 | S | S | * | . | trans | -113.4 | 136.4 | -172.7 | -67.1 | -31.9 | 0 | 0 | 0 | 112.4 | K40 | K40-D42 PolarHBondContact O-N 2.78Š| ||
| 43 | F | 84.8 | Confident | 86.3 | Confident | 88 Ų | 88 | 68.3 Ų | 68.3 | 39% | 0.386 | 35% | 0.354 | S | S | . | . | trans | -82.6 | 135.2 | 173.4 | -173.3 | -90.7 | 0 | 0 | 0 | 110.5 | V37 E45 A174 K175 | V37-F43 HydrophobicContact CG2-CB 3.98Å; V37-F43 HydrophobicContact CG2-CD2 3.9Å; V37-F43 HydrophobicContact CG2-CG 4.43Å; F43-E45 PolarHBondContact O-N 3.24Å; F43-A174 HydrophobicContact CD2-CB 4.13Å; F43-A174 HydrophobicContact CE2-CB 4.03Å; F43-K175 HydrophobicContact CD2-CB 4.25Å; F43-K175 HydrophobicContact CE2-CB 3.98Å; F43-K175 HydrophobicContact CZ-CB 4.29Å | ||
| 44 | P | 81.1 | Confident | 86.2 | Confident | 32 Ų | 32 | 72.5 Ų | 72.5 | 21% | 0.208 | 37% | 0.369 | C | S | . | . | trans | -69.7 | 125.6 | 179.7 | 28.1 | -35 | 0 | 0 | 0 | 112.4 | M36 | M36-P44 HydrophobicContact CE-CB 3.3Å; M36-P44 HydrophobicContact CE-CG 3.24Å | ||
| 45 | E | 78.5 | Confident | 85.9 | Confident | 196 Ų | 196 | 73.4 Ų | 73.4 | 92% | 0.916 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -75.4 | -26.4 | 174.2 | -64.3 | -169.4 | 162 | 0 | 0 | 113.3 | F43 | F43-E45 PolarHBondContact O-N 3.24Š|
| 46 | K | 78.9 | Confident | 85.9 | Confident | 184 Ų | 184 | 77 Ų | 77 | 80% | 0.8 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -116.5 | 131.9 | -179.3 | -65.1 | -177.3 | -176.8 | 177.3 | 0 | 110.5 | A48 | K46-A48 PolarHBondContact O-N 3.02Š|
| 47 | Y | 72 | Confident | 86 | Confident | 151 Ų | 151 | 77.1 Ų | 77.1 | 59% | 0.592 | 40% | 0.397 | S | S | * | . | trans | -79 | 119.7 | 172.2 | -179.6 | -106.8 | 0 | 0 | 0 | 110.3 | G28 P49 | G28-Y47 PolarHBondContact N-OH 3.1Å; Y47-P49 HydrophobicContact CE1-CG 3.81Å | ||
| 48 | A | 76.8 | Confident | 86 | Confident | 71 Ų | 71 | 80.5 Ų | 80.5 | 59% | 0.587 | 42% | 0.418 | S | S | * | . | trans | -121 | 125.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | K46 S50 | K46-A48 PolarHBondContact O-N 3.02Å; A48-S50 PolarHBondContact O-N 3.38Å | ||
| 49 | P | 81.1 | Confident | 85.9 | Confident | 80 Ų | 80 | 80.5 Ų | 80.5 | 52% | 0.519 | 42% | 0.419 | S | S | . | . | trans | -60.7 | 128.4 | 175.4 | -22.9 | 32.5 | 0 | 0 | 0 | 111.9 | Y47 | Y47-P49 HydrophobicContact CE1-CG 3.81Š| ||
| 50 | S | 81.8 | Confident | 86 | Confident | 10 Ų | 10 | 83.1 Ų | 83.1 | 7% | 0.07 | 44% | 0.436 | C | S | . | . | trans | -72.3 | 142.5 | 174.4 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | T32 A48 D72 A74 | T32-S50 PolarHBondContact OG1-OG 3.04Å; A48-S50 PolarHBondContact O-N 3.38Å; S50-D72 WeakPolarHBondContact CB-OD2 3.49Å; S50-D72 PolarHBondContact OG-OD2 3.09Å; S50-A74 WeakPolarHBondContact O-CA 3.46Å; S50-A74 VanDerWaalsContact O-CB 3.22Å; S50-A74 WeakPolarHBondContact O-CB 3.24Å | ||
| 51 | V | 81.4 | Confident | 86.2 | Confident | 71 Ų | 71 | 78.7 Ų | 78.7 | 43% | 0.43 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -98.5 | -71.6 | 166.9 | 178.7 | 0 | 0 | 0 | 0 | 108.2 | A74 Y79 | V51-A74 WeakPolarHBondContact O-CB 3.4Å; V51-A74 PolarHBondContact O-N 3.16Å; V51-A74 VanDerWaalsContact O-N 3.13Å; V51-Y79 HydrophobicContact CB-CE1 4.42Å; V51-Y79 HydrophobicContact CG1-CD1 4.22Å; V51-Y79 HydrophobicContact CG1-CE1 3.59Å; V51-Y79 HydrophobicContact CG2-CE1 4.41Å |
| 52 | F | 80.6 | Confident | 86.2 | Confident | 70 Ų | 70 | 81 Ų | 81 | 31% | 0.307 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 129.1 | 166.3 | -73.7 | -76.2 | 0 | 0 | 0 | 108.3 | T73 Y79 L82 R83 S86 | F52-T73 HydrophobicContact CD1-CG2 4.24Å; F52-T73 HydrophobicContact CE1-CG2 3.99Å; F52-Y79 HydrophobicContact CE2-CD1 4.43Å; F52-L82 HydrophobicContact CE2-CB 3.69Å; F52-L82 HydrophobicContact CZ-CB 3.95Å; F52-R83 HydrophobicContact CZ-CB 4.37Å; F52-S86 WeakPolarHBondContact CD1-OG 3.46Å; F52-S86 WeakPolarHBondContact CE1-OG 3.2Å |
| 53 | E | 88.8 | Confident | 86.3 | Confident | 88 Ų | 88 | 78.8 Ų | 78.8 | 41% | 0.411 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 145.4 | 176.3 | -64.1 | -171.7 | 165.5 | 0 | 0 | 110.5 | Y55 D72 | E53-Y55 HydrophobicContact CB-CD2 4.48Å; E53-Y55 HydrophobicContact CB-CE2 3.78Å; E53-Y55 VanDerWaalsContact OE2-CZ 3.26Å; E53-Y55 PolarHBondContact OE2-OH 3.36Å; E53-D72 HydrophobicContact CB-CB 4.16Å; E53-D72 PolarHBondContact N-O 2.96Å; E53-D72 PolarHBondContact O-N 3.3Å |
| 54 | K | 92.6 | Very high | 86.6 | Confident | 113 Ų | 113 | 80.7 Ų | 80.7 | 49% | 0.491 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 118.5 | 176.4 | -178.7 | -176.1 | 173.6 | -179.6 | 0 | 109.3 | V56 N69 L70 | K54-V56 HydrophobicContact CD-CG2 4.46Å; K54-V56 HydrophobicContact CG-CG2 4.36Å; K54-N69 WeakPolarHBondContact CE-OD1 3.49Å; K54-N69 PolarHBondContact NZ-OD1 3.35Å; K54-L70 WeakPolarHBondContact CA-O 3.45Å |
| 55 | Y | 93.3 | Very high | 87.3 | Confident | 19 Ų | 19 | 85.8 Ų | 85.8 | 8% | 0.075 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 139.9 | 170.4 | -60.1 | -94.8 | 0 | 0 | 0 | 109.3 | L35 M36 A39 E53 L70 D72 | L35-Y55 HydrophobicContact CB-CD2 4.32Å; L35-Y55 HydrophobicContact CB-CE2 4.47Å; L35-Y55 HydrophobicContact CD1-CD2 4.21Å; L35-Y55 HydrophobicContact CD1-CE2 4.46Å; M36-Y55 HydrophobicContact CG-CE1 3.73Å; M36-Y55 WeakPolarHBondContact CG-OH 3.46Å; A39-Y55 HydrophobicContact CB-CD1 4.09Å; A39-Y55 HydrophobicContact CB-CG 4.42Å; E53-Y55 HydrophobicContact CB-CD2 4.48Å; E53-Y55 HydrophobicContact CB-CE2 3.78Å; E53-Y55 VanDerWaalsContact OE2-CZ 3.26Å; E53-Y55 PolarHBondContact OE2-OH 3.36Å; Y55-L70 PolarHBondContact N-O 2.83Å; Y55-L70 PolarHBondContact O-N 2.79Å; Y55-D72 HydrophobicContact CE2-CB 4.15Å |
| 56 | V | 95 | Very high | 88.2 | Confident | 79 Ų | 79 | 76.6 Ų | 76.6 | 48% | 0.479 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 125 | 176.4 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | K54 K67 L68 | K54-V56 HydrophobicContact CD-CG2 4.46Å; K54-V56 HydrophobicContact CG-CG2 4.36Å; V56-K67 HydrophobicContact CG1-CD 4.28Å; V56-K67 HydrophobicContact CG1-CG 3.94Å; V56-L68 WeakPolarHBondContact CA-O 3.42Å |
| 57 | T | 95.4 | Very high | 89.1 | Confident | 30 Ų | 30 | 70.8 Ų | 70.8 | 18% | 0.184 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 170.6 | 175.3 | -172.8 | 0 | 0 | 0 | 0 | 110 | Y38 L68 L70 | Y38-T57 HydrophobicContact CD1-CG2 4.08Å; Y38-T57 HydrophobicContact CE1-CG2 3.46Å; Y38-T57 VanDerWaalsContact CE1-CG2 3.46Å; T57-L68 HydrophobicContact CG2-CB 4.02Å; T57-L68 HydrophobicContact CG2-CD1 4.33Å; T57-L68 PolarHBondContact N-O 2.94Å; T57-L68 VanDerWaalsContact N-O 3.08Å; T57-L68 PolarHBondContact O-N 2.77Å; T57-L70 HydrophobicContact CG2-CD1 4.09Å |
| 58 | T | 95.6 | Very high | 90.3 | Very high | 77 Ų | 77 | 63.6 Ų | 63.6 | 47% | 0.472 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 134.3 | 177.9 | -59.3 | 0 | 0 | 0 | 0 | 109.1 | E65 I66 | T58-E65 HydrophobicContact CG2-CB 3.82Å; T58-E65 HydrophobicContact CG2-CG 4.17Å; T58-I66 WeakPolarHBondContact CA-O 3.45Å |
| 59 | I | 95.3 | Very high | 91.3 | Very high | 16 Ų | 16 | 60.7 Ų | 60.7 | 8% | 0.082 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 136.3 | 172.8 | -169.4 | 176.7 | 0 | 0 | 0 | 109.7 | I66 L68 R185 T188 | I59-I66 HydrophobicContact CG2-CB 4.01Å; I59-I66 PolarHBondContact N-O 3.48Å; I59-I66 PolarHBondContact O-N 3.34Å; I59-L68 HydrophobicContact CB-CD1 4.18Å; I59-L68 HydrophobicContact CG2-CD1 3.79Å; I59-L68 HydrophobicContact CG2-CD2 4.15Å; I59-L68 HydrophobicContact CG2-CG 3.91Å; I59-R185 HydrophobicContact CD1-CB 4.29Å; I59-T188 HydrophobicContact CG2-CG2 3.84Å |
| 60 | S | 94 | Very high | 92.1 | Very high | 85 Ų | 85 | 56.9 Ų | 56.9 | 59% | 0.594 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 115.9 | 171.9 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | K64 | S60-K64 WeakPolarHBondContact CA-O 3.4Å |
| 61 | L | 92 | Very high | 92.8 | Very high | 40 Ų | 40 | 59 Ų | 59 | 21% | 0.209 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 115 | 179.4 | -168.5 | 75.7 | 0 | 0 | 0 | 110.4 | G63 K64 I66 R185 T188 K189 L192 | L61-G63 VanDerWaalsContact C-N 3.34Å; L61-G63 PolarHBondContact O-N 3.25Å; L61-K64 PolarHBondContact N-O 2.91Å; L61-K64 PolarHBondContact O-N 2.94Å; L61-I66 HydrophobicContact CB-CD1 3.91Å; L61-I66 HydrophobicContact CD2-CD1 4.38Å; L61-R185 HydrophobicContact CD1-CG 4.11Å; L61-T188 HydrophobicContact CD2-CG2 4.06Å; L61-K189 HydrophobicContact CD1-CG 4.34Å; L61-K189 HydrophobicContact CD2-CG 3.7Å; L61-L192 HydrophobicContact CD2-CD1 3.91Å |
| 62 | G | 86.8 | Confident | 93.5 | Very high | 78 Ų | 78 | 55.7 Ų | 55.7 | 80% | 0.804 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 39.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K64 | G62-K64 PolarHBondContact O-N 3.12Š|
| 63 | G | 87.6 | Confident | 94.3 | Very high | 77 Ų | 77 | 52.4 Ų | 52.4 | 79% | 0.794 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 13.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L61 | L61-G63 VanDerWaalsContact C-N 3.34Å; L61-G63 PolarHBondContact O-N 3.25Å |
| 64 | K | 90.9 | Very high | 94.5 | Very high | 128 Ų | 128 | 48.2 Ų | 48.2 | 56% | 0.557 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117 | 130.5 | 175.6 | -63.4 | -177.6 | -176.9 | 179.9 | 0 | 109.9 | S60 L61 G62 | S60-K64 WeakPolarHBondContact CA-O 3.4Å; L61-K64 PolarHBondContact N-O 2.91Å; L61-K64 PolarHBondContact O-N 2.94Å; G62-K64 PolarHBondContact O-N 3.12Å |
| 65 | E | 94.9 | Very high | 94.5 | Very high | 139 Ų | 139 | 43.1 Ų | 43.1 | 65% | 0.65 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 129.2 | 168.7 | -67.5 | -170.4 | 162.4 | 0 | 0 | 110.3 | T58 | T58-E65 HydrophobicContact CG2-CB 3.82Å; T58-E65 HydrophobicContact CG2-CG 4.17Å |
| 66 | I | 96.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 125.7 | 179.3 | -58.6 | 162.5 | 0 | 0 | 0 | 106.9 | E17 L19 T58 I59 L61 L68 T188 L192 | E17-I66 WeakPolarHBondContact O-CA 3.43Å; E17-I66 WeakPolarHBondContact O-CG2 3.49Å; L19-I66 HydrophobicContact CD1-CG2 3.64Å; L19-I66 HydrophobicContact CG-CG2 3.87Å; T58-I66 WeakPolarHBondContact CA-O 3.45Å; I59-I66 HydrophobicContact CG2-CB 4.01Å; I59-I66 PolarHBondContact N-O 3.48Å; I59-I66 PolarHBondContact O-N 3.34Å; L61-I66 HydrophobicContact CB-CD1 3.91Å; L61-I66 HydrophobicContact CD2-CD1 4.38Å; I66-L68 HydrophobicContact CG2-CD2 4.12Å; I66-T188 HydrophobicContact CD1-CG2 3.7Å; I66-T188 HydrophobicContact CG2-CG2 4.33Å; I66-L192 HydrophobicContact CD1-CD1 3.42Å; I66-L192 VanDerWaalsContact CD1-CD1 3.42Å; I66-L192 HydrophobicContact CD1-CD2 4.2Å; I66-L192 HydrophobicContact CD1-CG 4.18Å |
| 67 | K | 97.6 | Very high | 94.2 | Very high | 62 Ų | 62 | 46.2 Ų | 46.2 | 27% | 0.27 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 125.3 | 177 | -174.4 | -177 | 173.3 | -171.3 | 0 | 109.6 | V16 E17 E18 L19 V56 | V16-K67 HydrophobicContact CG1-CB 4.18Å; E17-K67 PolarHBondContact O-N 3.33Å; E18-K67 CarbonylContact C-O 3.52Å; E18-K67 WeakPolarHBondContact CA-O 3.44Å; E18-K67 HydrophobicContact CG-CB 4.14Å; E18-K67 HydrophobicContact CG-CD 4.07Å; E18-K67 VanDerWaalsContact OE1-CD 3.27Å; E18-K67 WeakPolarHBondContact OE1-CD 3.46Å; E18-K67 IonicContact OE1-NZ 2.65Å; E18-K67 PolarHBondContact OE1-NZ 3.41Å; E18-K67 IonicContact OE2-NZ 3.18Å; L19-K67 PolarHBondContact N-O 2.91Å; V56-K67 HydrophobicContact CG1-CD 4.28Å; V56-K67 HydrophobicContact CG1-CG 3.94Å |
| 68 | L | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 122 | 176.3 | -56.9 | -177.2 | 0 | 0 | 0 | 109.4 | L19 I21 Y38 V56 T57 I59 I66 L70 T188 | L19-L68 HydrophobicContact CB-CD2 3.95Å; L19-L68 HydrophobicContact CD1-CD2 4.04Å; L19-L68 HydrophobicContact CG-CD2 4.48Å; I21-L68 HydrophobicContact CD1-CD2 4.29Å; Y38-L68 HydrophobicContact CE1-CD1 3.89Å; Y38-L68 WeakPolarHBondContact OH-CD1 3.39Å; V56-L68 WeakPolarHBondContact CA-O 3.42Å; T57-L68 HydrophobicContact CG2-CB 4.02Å; T57-L68 HydrophobicContact CG2-CD1 4.33Å; T57-L68 PolarHBondContact N-O 2.94Å; T57-L68 VanDerWaalsContact N-O 3.08Å; T57-L68 PolarHBondContact O-N 2.77Å; I59-L68 HydrophobicContact CB-CD1 4.18Å; I59-L68 HydrophobicContact CG2-CD1 3.79Å; I59-L68 HydrophobicContact CG2-CD2 4.15Å; I59-L68 HydrophobicContact CG2-CG 3.91Å; I66-L68 HydrophobicContact CG2-CD2 4.12Å; L68-L70 HydrophobicContact CB-CD2 3.89Å; L68-L70 HydrophobicContact CB-CG 4.38Å; L68-T188 HydrophobicContact CD2-CG2 4.43Å |
| 69 | N | 97.8 | Very high | 94.1 | Very high | 11 Ų | 11 | 51.1 Ų | 51.1 | 6% | 0.059 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 104.5 | 167.5 | -61.4 | -92.9 | 0 | 0 | 0 | 107.2 | L19 K20 I21 K54 Y71 | L19-N69 PolarHBondContact O-N 2.98Å; L19-N69 PolarHBondContact O-ND2 3.15Å; K20-N69 WeakPolarHBondContact CA-O 3.29Å; I21-N69 PolarHBondContact N-O 2.78Å; K54-N69 WeakPolarHBondContact CE-OD1 3.49Å; K54-N69 PolarHBondContact NZ-OD1 3.35Å; N69-Y71 HydrophobicContact CB-CD2 4.45Å; N69-Y71 HydrophobicContact CB-CE2 3.78Å; N69-Y71 WeakPolarHBondContact O-CD2 3.42Å |
| 70 | L | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 122.8 | -177.9 | -44.3 | 173.1 | 0 | 0 | 0 | 109 | I21 L35 Y38 K54 Y55 T57 L68 F184 | I21-L70 HydrophobicContact CB-CD2 3.97Å; I21-L70 HydrophobicContact CD1-CD2 4.1Å; I21-L70 HydrophobicContact CG1-CD2 4.44Å; I21-L70 WeakPolarHBondContact O-CA 3.46Å; L35-L70 HydrophobicContact CD2-CB 3.72Å; L35-L70 HydrophobicContact CD2-CD1 3.82Å; L35-L70 HydrophobicContact CD2-CG 4.26Å; Y38-L70 HydrophobicContact CD1-CD1 3.63Å; Y38-L70 HydrophobicContact CE1-CD1 3.98Å; K54-L70 WeakPolarHBondContact CA-O 3.45Å; Y55-L70 PolarHBondContact N-O 2.83Å; Y55-L70 PolarHBondContact O-N 2.79Å; T57-L70 HydrophobicContact CG2-CD1 4.09Å; L68-L70 HydrophobicContact CB-CD2 3.89Å; L68-L70 HydrophobicContact CB-CG 4.38Å; L70-F184 HydrophobicContact CD1-CE1 4.16Å; L70-F184 HydrophobicContact CD2-CD1 4.14Å; L70-F184 HydrophobicContact CD2-CE1 3.99Å |
| 71 | Y | 97.5 | Very high | 93.9 | Very high | 55 Ų | 55 | 60.2 Ų | 60.2 | 22% | 0.216 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 105.7 | -177.6 | -74.4 | -107.1 | 0 | 0 | 0 | 109.2 | K20 I21 I23 N69 | K20-Y71 HydrophobicContact CB-CE2 4.43Å; K20-Y71 HydrophobicContact CD-CD2 3.99Å; K20-Y71 HydrophobicContact CD-CE2 3.54Å; K20-Y71 VanDerWaalsContact CE-CE2 3.42Å; K20-Y71 HydrophobicContact CG-CD2 3.66Å; K20-Y71 HydrophobicContact CG-CE2 3.51Å; I21-Y71 PolarHBondContact O-N 3.39Å; I23-Y71 WeakPolarHBondContact CG2-O 3.17Å; I23-Y71 PolarHBondContact N-O 3.26Å; I23-Y71 VanDerWaalsContact N-O 3.08Å; N69-Y71 HydrophobicContact CB-CD2 4.45Å; N69-Y71 HydrophobicContact CB-CE2 3.78Å; N69-Y71 WeakPolarHBondContact O-CD2 3.42Å |
| 72 | D | 96.1 | Very high | 94 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 137.2 | 169.8 | -161.3 | 15.7 | 0 | 0 | 0 | 110.2 | T32 L35 S50 E53 Y55 | T32-D72 WeakPolarHBondContact CB-OD2 3.46Å; T32-D72 VanDerWaalsContact CG2-OD2 3.27Å; T32-D72 WeakPolarHBondContact CG2-OD2 3.49Å; T32-D72 PolarHBondContact OG1-OD2 3.39Å; L35-D72 HydrophobicContact CD1-CB 3.46Å; L35-D72 VanDerWaalsContact CD1-CB 3.46Å; S50-D72 WeakPolarHBondContact CB-OD2 3.49Å; S50-D72 PolarHBondContact OG-OD2 3.09Å; E53-D72 HydrophobicContact CB-CB 4.16Å; E53-D72 PolarHBondContact N-O 2.96Å; E53-D72 PolarHBondContact O-N 3.3Å; Y55-D72 HydrophobicContact CE2-CB 4.15Å |
| 73 | T | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 145.4 | -177.5 | 71.2 | 0 | 0 | 0 | 0 | 111.6 | V22 I23 K31 F52 R83 | V22-T73 HydrophobicContact CG1-CG2 3.9Å; I23-T73 WeakPolarHBondContact O-CG2 3.49Å; I23-T73 PolarHBondContact O-OG1 2.84Å; K31-T73 WeakPolarHBondContact CE-O 3.34Å; F52-T73 HydrophobicContact CD1-CG2 4.24Å; F52-T73 HydrophobicContact CE1-CG2 3.99Å; T73-R83 HydrophobicContact CG2-CG 4.25Å |
| 74 | A | 93.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | trans | -59.6 | 135.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.4 | S50 V51 Y79 R83 | S50-A74 WeakPolarHBondContact O-CA 3.46Å; S50-A74 VanDerWaalsContact O-CB 3.22Å; S50-A74 WeakPolarHBondContact O-CB 3.24Å; V51-A74 WeakPolarHBondContact O-CB 3.4Å; V51-A74 PolarHBondContact O-N 3.16Å; V51-A74 VanDerWaalsContact O-N 3.13Å; A74-Y79 HydrophobicContact CB-CD1 4.29Å; A74-Y79 HydrophobicContact CB-CD2 3.3Å; A74-Y79 HydrophobicContact CB-CE2 3.99Å; A74-Y79 HydrophobicContact CB-CG 3.47Å; A74-Y79 VanDerWaalsContact CB-CG 3.47Å; A74-R83 PolarHBondContact O-NE 2.93Å; A74-R83 PolarHBondContact O-NH2 3.18Å | ||
| 75 | G | 92.1 | Very high | 94.9 | Very high | 6 Ų | 6 | 56 Ų | 56 | 6% | 0.062 | 27% | 0.267 | C | S | . | . | trans | -94.1 | -2.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | G25 G27 | G25-G75 WeakPolarHBondContact O-CA 3.22Å; G27-G75 PolarHBondContact N-O 2.89Å | ||
| 76 | Q | 92 | Very high | 95 | Very high | 52 Ų | 52 | 50 Ų | 50 | 24% | 0.243 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -87.1 | 149 | -178.1 | -58.5 | 81.6 | -13.3 | 0 | 0 | 111 | D78 Y79 R83 | Q76-D78 PolarHBondContact O-N 3.21Å; Q76-Y79 HydrophobicContact CB-CD2 4.17Å; Q76-Y79 PolarHBondContact O-N 3.42Å; Q76-Y79 VanDerWaalsContact O-N 3.16Å; Q76-R83 PolarHBondContact O-NH2 3Å |
| 77 | D | 91.6 | Very high | 95 | Very high | 111 Ų | 111 | 50.3 Ų | 50.3 | 59% | 0.594 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -64.3 | -28.2 | -177.8 | -62 | -10.8 | 0 | 0 | 0 | 112.7 | Y79 D80 K111 | D77-Y79 PolarHBondContact O-N 3.09Å; D77-D80 WeakPolarHBondContact O-CB 3.49Å; D77-D80 VanDerWaalsContact O-CG 3.31Å; D77-D80 PolarHBondContact O-N 2.97Å; D77-K111 IonicContact OD1-NZ 2.9Å; D77-K111 PolarHBondContact OD1-NZ 3.48Å |
| 78 | D | 93.7 | Very high | 94.8 | Very high | 145 Ų | 145 | 54 Ų | 54 | 78% | 0.775 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -54.2 | -23.5 | 175.2 | -62.5 | -32.8 | 0 | 0 | 0 | 113 | Q76 | Q76-D78 PolarHBondContact O-N 3.21Š|
| 79 | Y | 93.4 | Very high | 94.6 | Very high | 65 Ų | 65 | 61.5 Ų | 61.5 | 26% | 0.255 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -105 | 6.1 | -178.4 | -61.7 | -79.2 | 0 | 0 | 0 | 114.1 | V51 F52 A74 Q76 D77 R81 L82 R83 | V51-Y79 HydrophobicContact CB-CE1 4.42Å; V51-Y79 HydrophobicContact CG1-CD1 4.22Å; V51-Y79 HydrophobicContact CG1-CE1 3.59Å; V51-Y79 HydrophobicContact CG2-CE1 4.41Å; F52-Y79 HydrophobicContact CE2-CD1 4.43Å; A74-Y79 HydrophobicContact CB-CD1 4.29Å; A74-Y79 HydrophobicContact CB-CD2 3.3Å; A74-Y79 HydrophobicContact CB-CE2 3.99Å; A74-Y79 HydrophobicContact CB-CG 3.47Å; A74-Y79 VanDerWaalsContact CB-CG 3.47Å; Q76-Y79 HydrophobicContact CB-CD2 4.17Å; Q76-Y79 PolarHBondContact O-N 3.42Å; Q76-Y79 VanDerWaalsContact O-N 3.16Å; D77-Y79 PolarHBondContact O-N 3.09Å; Y79-R81 PolarHBondContact O-N 3Å; Y79-R81 VanDerWaalsContact O-N 3.13Å; Y79-L82 HydrophobicContact CD1-CD1 4.07Å; Y79-L82 PolarHBondContact O-N 3.47Å; Y79-R83 PolarHBondContact O-N 3.46Å |
| 80 | D | 93.4 | Very high | 94.6 | Very high | 56 Ų | 56 | 61.2 Ų | 61.2 | 30% | 0.299 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -32 | -177.8 | -79.3 | -5.2 | 0 | 0 | 0 | 113 | D77 R83 P84 K111 | D77-D80 WeakPolarHBondContact O-CB 3.49Å; D77-D80 VanDerWaalsContact O-CG 3.31Å; D77-D80 PolarHBondContact O-N 2.97Å; D80-R83 IonicContact OD1-CZ 2.72Å; D80-R83 VanDerWaalsContact OD1-CZ 3.23Å; D80-R83 IonicContact OD1-NH1 2.66Å; D80-R83 PolarHBondContact OD1-NH1 2.95Å; D80-R83 IonicContact OD1-NH2 2.66Å; D80-R83 PolarHBondContact OD1-NH2 3.44Å; D80-P84 WeakPolarHBondContact O-CD 3.33Å; D80-K111 VanDerWaalsContact CG-NZ 3.25Å; D80-K111 WeakPolarHBondContact OD1-CE 3.32Å; D80-K111 IonicContact OD1-NZ 2.72Å; D80-K111 PolarHBondContact OD1-NZ 3.3Å; D80-K111 IonicContact OD2-NZ 2.65Å; D80-K111 PolarHBondContact OD2-NZ 2.9Å |
| 81 | R | 93.6 | Very high | 94.7 | Very high | 236 Ų | 236 | 62.3 Ų | 62.3 | 89% | 0.891 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -24.2 | 177.3 | -64.3 | -175.8 | -178.8 | -175.4 | 1.6 | 113.8 | Y79 | Y79-R81 PolarHBondContact O-N 3Å; Y79-R81 VanDerWaalsContact O-N 3.13Å |
| 82 | L | 93.4 | Very high | 94.7 | Very high | 85 Ų | 85 | 59.7 Ų | 59.7 | 45% | 0.445 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -32.6 | -177 | -66.4 | 175.1 | 0 | 0 | 0 | 111.9 | F52 Y79 P84 L85 | F52-L82 HydrophobicContact CE2-CB 3.69Å; F52-L82 HydrophobicContact CZ-CB 3.95Å; Y79-L82 HydrophobicContact CD1-CD1 4.07Å; Y79-L82 PolarHBondContact O-N 3.47Å; L82-P84 VanDerWaalsContact C-N 3.3Å; L82-L85 HydrophobicContact CD2-CD1 4.22Å; L82-L85 VanDerWaalsContact O-CB 3.3Å; L82-L85 WeakPolarHBondContact O-CB 3.24Å; L82-L85 WeakPolarHBondContact O-CG 3.42Å; L82-L85 PolarHBondContact O-N 3.38Å |
| 83 | R | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -52.3 | -39.6 | -179.5 | -159.1 | -179.2 | -49 | 108 | 3.4 | 113.7 | F52 T73 A74 Q76 Y79 D80 L85 S86 E115 | F52-R83 HydrophobicContact CZ-CB 4.37Å; T73-R83 HydrophobicContact CG2-CG 4.25Å; A74-R83 PolarHBondContact O-NE 2.93Å; A74-R83 PolarHBondContact O-NH2 3.18Å; Q76-R83 PolarHBondContact O-NH2 3Å; Y79-R83 PolarHBondContact O-N 3.46Å; D80-R83 IonicContact OD1-CZ 2.72Å; D80-R83 VanDerWaalsContact OD1-CZ 3.23Å; D80-R83 IonicContact OD1-NH1 2.66Å; D80-R83 PolarHBondContact OD1-NH1 2.95Å; D80-R83 IonicContact OD1-NH2 2.66Å; D80-R83 PolarHBondContact OD1-NH2 3.44Å; R83-L85 PolarHBondContact O-N 2.8Å; R83-L85 VanDerWaalsContact O-N 3.09Å; R83-S86 WeakPolarHBondContact O-CB 3.16Å; R83-S86 PolarHBondContact O-N 3.49Å; R83-E115 WeakPolarHBondContact CD-OE1 3.32Å; R83-E115 IonicContact CZ-OE1 2.87Å; R83-E115 IonicContact NE-OE1 3.82Å; R83-E115 VanDerWaalsContact NH1-CD 3.33Å; R83-E115 IonicContact NH1-OE1 4Å; R83-E115 PolarHBondContact NH1-OE1 3.37Å; R83-E115 IonicContact NH1-OE2 2.94Å; R83-E115 PolarHBondContact NH1-OE2 3.09Å |
| 84 | P | 95.1 | Very high | 95 | Very high | 25 Ų | 25 | 59.6 Ų | 59.6 | 16% | 0.162 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -58 | -26.3 | 178.5 | -29.6 | 38.2 | 0 | 0 | 0 | 115.3 | D80 L82 S86 Y87 F119 | D80-P84 WeakPolarHBondContact O-CD 3.33Å; L82-P84 VanDerWaalsContact C-N 3.3Å; P84-S86 PolarHBondContact O-N 3.34Å; P84-Y87 HydrophobicContact CB-CD2 4.27Å; P84-Y87 WeakPolarHBondContact O-CB 3.47Å; P84-Y87 PolarHBondContact O-N 3.5Å; P84-Y87 VanDerWaalsContact O-N 3.1Å; P84-F119 HydrophobicContact CB-CD1 3.91Å; P84-F119 HydrophobicContact CB-CD2 4.2Å; P84-F119 HydrophobicContact CB-CE1 3.66Å; P84-F119 HydrophobicContact CB-CE2 3.97Å; P84-F119 HydrophobicContact CB-CG 4.19Å; P84-F119 HydrophobicContact CB-CZ 3.69Å; P84-F119 HydrophobicContact CG-CD2 4.14Å; P84-F119 HydrophobicContact CG-CE1 4.01Å; P84-F119 HydrophobicContact CG-CE2 3.55Å; P84-F119 HydrophobicContact CG-CZ 3.48Å; P84-F119 VanDerWaalsContact CG-CZ 3.48Å |
| 85 | L | 93.9 | Very high | 95.2 | Very high | 125 Ų | 125 | 59.6 Ų | 59.6 | 65% | 0.654 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -63.8 | -27.3 | 176.7 | -56.4 | 177.2 | 0 | 0 | 0 | 111.9 | L82 R83 Y87 | L82-L85 HydrophobicContact CD2-CD1 4.22Å; L82-L85 VanDerWaalsContact O-CB 3.3Å; L82-L85 WeakPolarHBondContact O-CB 3.24Å; L82-L85 WeakPolarHBondContact O-CG 3.42Å; L82-L85 PolarHBondContact O-N 3.38Å; R83-L85 PolarHBondContact O-N 2.8Å; R83-L85 VanDerWaalsContact O-N 3.09Å; L85-Y87 VanDerWaalsContact C-N 3.32Å; L85-Y87 PolarHBondContact O-N 2.98Å |
| 86 | S | 95.8 | Very high | 95.6 | Very high | 12 Ų | 12 | 59.3 Ų | 59.3 | 8% | 0.084 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -74.6 | -19.9 | 176.9 | -67.9 | 0 | 0 | 0 | 0 | 113.1 | K20 V22 F52 R83 P84 | K20-S86 WeakPolarHBondContact CE-O 3.46Å; K20-S86 PolarHBondContact NZ-O 3.27Å; V22-S86 VanDerWaalsContact CG2-O 3.31Å; V22-S86 WeakPolarHBondContact CG2-O 3.31Å; F52-S86 WeakPolarHBondContact CD1-OG 3.46Å; F52-S86 WeakPolarHBondContact CE1-OG 3.2Å; R83-S86 WeakPolarHBondContact O-CB 3.16Å; R83-S86 PolarHBondContact O-N 3.49Å; P84-S86 PolarHBondContact O-N 3.34Å |
| 87 | Y | 96.8 | Very high | 95.9 | Very high | 8 Ų | 8 | 56.8 Ų | 56.8 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -77.1 | -20 | -176.6 | -66.7 | -34.3 | 0 | 0 | 0 | 115 | V22 V24 P84 L85 E89 A90 E115 V116 F119 C120 | V22-Y87 HydrophobicContact CG1-CD1 3.98Å; V22-Y87 HydrophobicContact CG1-CE1 3.93Å; V24-Y87 HydrophobicContact CG1-CE1 3.71Å; V24-Y87 WeakPolarHBondContact CG1-OH 3.47Å; P84-Y87 HydrophobicContact CB-CD2 4.27Å; P84-Y87 WeakPolarHBondContact O-CB 3.47Å; P84-Y87 PolarHBondContact O-N 3.5Å; P84-Y87 VanDerWaalsContact O-N 3.1Å; L85-Y87 VanDerWaalsContact C-N 3.32Å; L85-Y87 PolarHBondContact O-N 2.98Å; Y87-E89 PolarHBondContact O-N 3Å; Y87-E89 VanDerWaalsContact O-N 3.13Å; Y87-A90 VanDerWaalsContact O-CB 3.31Å; Y87-A90 WeakPolarHBondContact O-CB 3.36Å; Y87-A90 PolarHBondContact O-N 3.13Å; Y87-E115 HydrophobicContact CE2-CG 4.15Å; Y87-E115 PolarHBondContact OH-OE1 3.11Å; Y87-V116 HydrophobicContact CE1-CG2 4.41Å; Y87-F119 HydrophobicContact CD2-CB 3.36Å; Y87-F119 AromaticContact CD2-CD2 3.83Å; Y87-F119 HydrophobicContact CD2-CD2 3.83Å; Y87-F119 AromaticContact CD2-CG 3.73Å; Y87-F119 HydrophobicContact CD2-CG 3.73Å; Y87-F119 HydrophobicContact CE2-CB 4.09Å; Y87-F119 AromaticContact CE2-CD2 3.8Å; Y87-F119 HydrophobicContact CE2-CD2 3.8Å; Y87-F119 HydrophobicContact CE2-CG 4.2Å; Y87-F119 HydrophobicContact CG-CB 4.09Å; Y87-C120 WeakPolarHBondContact CB-SG 3.24Å; Y87-C120 VanDerWaalsContact CG-SG 3.56Å |
| 88 | Q | 94.3 | Very high | 96.2 | Very high | 139 Ų | 139 | 52 Ų | 52 | 65% | 0.65 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | 123.2 | -177.7 | -178.1 | 172.7 | -8.9 | 0 | 0 | 110.9 | K20 A90 | K20-Q88 WeakPolarHBondContact CE-O 3.07Å; K20-Q88 PolarHBondContact NZ-O 2.75Å; Q88-A90 PolarHBondContact O-N 3.21Å |
| 89 | E | 94.1 | Very high | 96.5 | Very high | 158 Ų | 158 | 45.1 Ų | 45.1 | 74% | 0.738 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 22.8 | 179.7 | -58.6 | 179.3 | 167.2 | 0 | 0 | 115.2 | Y87 N91 | Y87-E89 PolarHBondContact O-N 3Å; Y87-E89 VanDerWaalsContact O-N 3.13Å; E89-N91 PolarHBondContact O-N 3.36Å |
| 90 | A | 97.9 | Very high | 96.7 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | trans | -57.9 | 129.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | V22 Y87 Q88 V93 T123 | V22-A90 HydrophobicContact CG2-CB 3.79Å; Y87-A90 VanDerWaalsContact O-CB 3.31Å; Y87-A90 WeakPolarHBondContact O-CB 3.36Å; Y87-A90 PolarHBondContact O-N 3.13Å; Q88-A90 PolarHBondContact O-N 3.21Å; A90-V93 HydrophobicContact CB-CG2 4.35Å; A90-T123 WeakPolarHBondContact O-CG2 3.33Å | ||
| 91 | N | 98.3 | Very high | 96.9 | Very high | 23 Ų | 23 | 42.9 Ų | 42.9 | 12% | 0.123 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -86.9 | -22.6 | 174.9 | -54.6 | 119.6 | 0 | 0 | 0 | 111.8 | L19 K20 E89 P124 A191 F194 N195 | L19-N91 VanDerWaalsContact CA-OD1 3.29Å; L19-N91 WeakPolarHBondContact CA-OD1 3.41Å; L19-N91 HydrophobicContact CD2-CB 4.22Å; K20-N91 PolarHBondContact N-OD1 3.24Å; K20-N91 PolarHBondContact O-N 3.23Å; E89-N91 PolarHBondContact O-N 3.36Å; N91-P124 WeakPolarHBondContact O-CD 3.27Å; N91-P124 VanDerWaalsContact O-CG 3.29Å; N91-P124 WeakPolarHBondContact O-CG 3.39Å; N91-A191 HydrophobicContact CB-CB 4.01Å; N91-F194 WeakPolarHBondContact O-CD1 3.17Å; N91-N195 PolarHBondContact ND2-ND2 3.47Å; N91-N195 VanDerWaalsContact ND2-ND2 3.16Å; N91-N195 PolarHBondContact ND2-OD1 2.95Å |
| 92 | L | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 149.7 | 175.6 | -176.2 | 141.8 | 0 | 0 | 0 | 110.2 | K20 I21 V22 L94 P124 I126 A187 R190 A191 | K20-L92 PolarHBondContact O-N 3.49Å; I21-L92 WeakPolarHBondContact CA-O 3.5Å; I21-L92 HydrophobicContact CG2-CD2 4.06Å; V22-L92 PolarHBondContact N-O 2.98Å; V22-L92 VanDerWaalsContact N-O 3.13Å; L92-L94 HydrophobicContact CD2-CD2 3.49Å; L92-L94 VanDerWaalsContact CD2-CD2 3.49Å; L92-L94 HydrophobicContact CD2-CG 3.97Å; L92-P124 WeakPolarHBondContact CA-O 3.46Å; L92-P124 HydrophobicContact CB-CG 4.19Å; L92-P124 HydrophobicContact CD1-CB 4.32Å; L92-P124 HydrophobicContact CD1-CG 4.14Å; L92-P124 HydrophobicContact CG-CG 4.28Å; L92-I126 HydrophobicContact CD1-CD1 3.87Å; L92-I126 HydrophobicContact CD1-CG1 4.21Å; L92-I126 HydrophobicContact CD2-CD1 4.32Å; L92-A187 HydrophobicContact CD1-CB 4.18Å; L92-A187 WeakPolarHBondContact CD1-O 3.32Å; L92-A187 HydrophobicContact CD2-CB 3.95Å; L92-R190 HydrophobicContact CD1-CB 3.86Å; L92-A191 HydrophobicContact CB-CB 4.04Å |
| 93 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 132 | 172.9 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | V22 V24 A90 I95 V116 C120 T123 P124 V125 I126 | V22-V93 CarbonylContact O-C 3.47Å; V22-V93 WeakPolarHBondContact O-CA 3.49Å; V24-V93 HydrophobicContact CG2-CG1 4.06Å; A90-V93 HydrophobicContact CB-CG2 4.35Å; V93-I95 HydrophobicContact CG1-CG1 4.39Å; V93-V116 HydrophobicContact CB-CG1 3.98Å; V93-V116 HydrophobicContact CG1-CG1 3.99Å; V93-V116 HydrophobicContact CG1-CG2 3.77Å; V93-V116 HydrophobicContact CG2-CG1 3.99Å; V93-C120 HydrophobicContact CG2-CB 4.3Å; V93-T123 HydrophobicContact CG2-CG2 4.28Å; V93-P124 PolarHBondContact N-O 2.95Å; V93-V125 VanDerWaalsContact O-CA 3.32Å; V93-V125 WeakPolarHBondContact O-CA 3.03Å; V93-I126 PolarHBondContact O-N 2.98Å |
| 94 | L | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 122.9 | 168.6 | -58.6 | -179.7 | 0 | 0 | 0 | 108.1 | I21 V22 I23 V24 L92 I126 I128 I183 F184 A187 | I21-L94 HydrophobicContact CG2-CD1 3.99Å; I21-L94 HydrophobicContact CG2-CG 3.89Å; V22-L94 PolarHBondContact O-N 3.45Å; I23-L94 WeakPolarHBondContact CA-O 3.33Å; I23-L94 HydrophobicContact CB-CB 4.36Å; I23-L94 HydrophobicContact CD1-CD1 4.41Å; I23-L94 HydrophobicContact CG1-CB 4.03Å; V24-L94 PolarHBondContact N-O 2.95Å; L92-L94 HydrophobicContact CD2-CD2 3.49Å; L92-L94 VanDerWaalsContact CD2-CD2 3.49Å; L92-L94 HydrophobicContact CD2-CG 3.97Å; L94-I126 HydrophobicContact CD2-CB 3.85Å; L94-I126 HydrophobicContact CD2-CD1 4.34Å; L94-I126 HydrophobicContact CD2-CG2 4.39Å; L94-I128 HydrophobicContact CB-CG1 4.32Å; L94-I128 HydrophobicContact CD2-CD1 4.32Å; L94-I128 HydrophobicContact CD2-CG1 4.23Å; L94-I183 HydrophobicContact CD1-CG2 4.33Å; L94-F184 HydrophobicContact CD1-CE1 4.11Å; L94-F184 HydrophobicContact CD1-CZ 4.44Å; L94-A187 HydrophobicContact CD2-CB 4.41Å |
| 95 | I | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 118.5 | 170.4 | -59.5 | -179.6 | 0 | 0 | 0 | 107.3 | V24 V93 V108 W112 Y113 V116 V125 I126 L127 I128 M164 | V24-I95 HydrophobicContact CG2-CB 4.34Å; V24-I95 HydrophobicContact CG2-CG1 3.74Å; V93-I95 HydrophobicContact CG1-CG1 4.39Å; I95-V108 HydrophobicContact CG2-CG1 4.02Å; I95-V108 HydrophobicContact CG2-CG2 4.2Å; I95-W112 HydrophobicContact CD1-CB 4.49Å; I95-W112 HydrophobicContact CG2-CB 3.73Å; I95-W112 HydrophobicContact CG2-CG 4.41Å; I95-Y113 HydrophobicContact CD1-CD2 4.28Å; I95-V116 HydrophobicContact CD1-CB 4.26Å; I95-V116 HydrophobicContact CD1-CG2 4.08Å; I95-V116 HydrophobicContact CG1-CG2 4.29Å; I95-V125 HydrophobicContact CD1-CG1 3.62Å; I95-V125 HydrophobicContact CG1-CG1 3.81Å; I95-I126 PolarHBondContact N-O 3.42Å; I95-L127 HydrophobicContact CG2-CD1 4.41Å; I95-L127 CarbonylContact O-C 3.56Å; I95-L127 WeakPolarHBondContact O-CA 3.38Å; I95-I128 PolarHBondContact O-N 3.04Å; I95-M164 HydrophobicContact CD1-CE 3.76Å |
| 96 | C | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 144.7 | -174.4 | -64.5 | 0 | 0 | 0 | 0 | 111.6 | I23 V24 G25 K31 I128 | I23-C96 WeakPolarHBondContact CD1-SG 3.45Å; I23-C96 WeakPolarHBondContact CG1-SG 3.42Å; V24-C96 PolarHBondContact O-N 3.35Å; G25-C96 VanDerWaalsContact CA-O 3.29Å; G25-C96 WeakPolarHBondContact CA-O 3.47Å; K31-C96 HydrophobicContact CG-CB 4.03Å; C96-I128 WeakPolarHBondContact CA-O 3.47Å |
| 97 | F | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 162.9 | 167.4 | 69.7 | -86.4 | 0 | 0 | 0 | 109.9 | V99 S104 F105 V108 L127 I128 C130 I152 Y169 | F97-V99 HydrophobicContact CE2-CB 4.4Å; F97-V99 HydrophobicContact CE2-CG1 3.84Å; F97-V99 HydrophobicContact CZ-CG1 4.36Å; F97-S104 WeakPolarHBondContact CB-O 3.11Å; F97-F105 AromaticContact CD1-CD2 3.95Å; F97-F105 HydrophobicContact CD1-CD2 3.95Å; F97-F105 HydrophobicContact CD2-CB 3.83Å; F97-F105 AromaticContact CD2-CD2 3.65Å; F97-F105 HydrophobicContact CD2-CD2 3.65Å; F97-F105 HydrophobicContact CD2-CG 4.17Å; F97-F105 AromaticContact CE1-CD2 3.74Å; F97-F105 HydrophobicContact CE1-CD2 3.74Å; F97-F105 AromaticContact CE1-CE2 4Å; F97-F105 HydrophobicContact CE1-CE2 4Å; F97-F105 HydrophobicContact CE2-CB 4.26Å; F97-F105 AromaticContact CE2-CD2 3.44Å; F97-F105 HydrophobicContact CE2-CD2 3.44Å; F97-F105 VanDerWaalsContact CE2-CD2 3.44Å; F97-F105 HydrophobicContact CE2-CE2 4.1Å; F97-F105 HydrophobicContact CE2-CG 4.16Å; F97-F105 HydrophobicContact CG-CB 4.28Å; F97-F105 AromaticContact CG-CD2 3.89Å; F97-F105 HydrophobicContact CG-CD2 3.89Å; F97-F105 AromaticContact CZ-CD2 3.48Å; F97-F105 HydrophobicContact CZ-CD2 3.48Å; F97-F105 VanDerWaalsContact CZ-CD2 3.48Å; F97-F105 AromaticContact CZ-CE2 3.72Å; F97-F105 HydrophobicContact CZ-CE2 3.72Å; F97-V108 HydrophobicContact CB-CG2 3.97Å; F97-V108 HydrophobicContact CD1-CG2 4.11Å; F97-V108 HydrophobicContact CG-CG2 4.34Å; F97-L127 HydrophobicContact CD1-CD1 3.79Å; F97-L127 HydrophobicContact CD1-CG 4.35Å; F97-L127 HydrophobicContact CE1-CD1 3.87Å; F97-L127 HydrophobicContact CE1-CD2 4.19Å; F97-L127 HydrophobicContact CE1-CG 3.93Å; F97-I128 VanDerWaalsContact CD1-O 3.32Å; F97-I128 WeakPolarHBondContact CD1-O 3.47Å; F97-I128 PolarHBondContact N-O 2.91Å; F97-C130 WeakPolarHBondContact O-CB 3.4Å; F97-C130 PolarHBondContact O-N 3.04Å; F97-I152 HydrophobicContact CE2-CB 3.96Å; F97-I152 HydrophobicContact CE2-CG1 4.15Å; F97-I152 HydrophobicContact CE2-CG2 3.77Å; F97-I152 HydrophobicContact CZ-CG2 4.1Å; F97-Y169 AromaticContact CE1-CE2 3.77Å; F97-Y169 HydrophobicContact CE1-CE2 3.77Å; F97-Y169 AromaticContact CZ-CE2 3.9Å; F97-Y169 HydrophobicContact CZ-CE2 3.9Å; F97-Y169 WeakPolarHBondContact CZ-OH 3.44Å |
| 98 | D | 98.6 | Very high | 98.1 | Very high | 11 Ų | 11 | 31.9 Ų | 31.9 | 6% | 0.059 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 121.8 | 173.8 | 174.3 | -11.8 | 0 | 0 | 0 | 108.5 | C29 T100 N101 S104 K131 | C29-D98 HydrophobicContact CB-CB 4.11Å; D98-T100 PolarHBondContact O-N 2.86Å; D98-T100 WeakPolarHBondContact OD1-CB 3.33Å; D98-T100 PolarHBondContact OD1-N 3.31Å; D98-T100 PolarHBondContact OD1-OG1 3.37Å; D98-N101 HydrophobicContact CB-CB 3.93Å; D98-N101 PolarHBondContact O-N 3.32Å; D98-S104 PolarHBondContact N-OG 3.24Å; D98-S104 PolarHBondContact O-OG 3.24Å; D98-K131 WeakPolarHBondContact OD2-CD 3.29Å; D98-K131 VanDerWaalsContact OD2-CE 3.27Å; D98-K131 WeakPolarHBondContact OD2-CE 3.29Å; D98-K131 IonicContact OD2-NZ 3.8Å; D98-K131 PolarHBondContact OD2-NZ 3.07Å |
| 99 | V | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -10.8 | -176.4 | -57.1 | 0 | 0 | 0 | 0 | 113.2 | F97 C130 T132 R135 P151 I152 | F97-V99 HydrophobicContact CE2-CB 4.4Å; F97-V99 HydrophobicContact CE2-CG1 3.84Å; F97-V99 HydrophobicContact CZ-CG1 4.36Å; V99-C130 WeakPolarHBondContact CG1-O 3.43Å; V99-C130 WeakPolarHBondContact CG2-O 3.45Å; V99-C130 PolarHBondContact N-O 3.13Å; V99-T132 HydrophobicContact CG1-CG2 4.38Å; V99-T132 HydrophobicContact CG2-CG2 4.43Å; V99-R135 HydrophobicContact CB-CG 4.41Å; V99-R135 VanDerWaalsContact CG1-NH2 3.27Å; V99-R135 HydrophobicContact CG2-CG 3.6Å; V99-P151 CarbonylContact O-C 3.5Å; V99-P151 VanDerWaalsContact O-CA 3.32Å; V99-P151 WeakPolarHBondContact O-CA 3.24Å; V99-P151 WeakPolarHBondContact O-CB 3.22Å; V99-I152 PolarHBondContact O-N 2.65Å |
| 100 | T | 97.8 | Very high | 98.5 | Very high | 15 Ų | 15 | 26.5 Ų | 26.5 | 9% | 0.092 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 4.1 | 174.9 | 67.2 | 0 | 0 | 0 | 0 | 113.6 | D98 L134 C140 L144 | D98-T100 PolarHBondContact O-N 2.86Å; D98-T100 WeakPolarHBondContact OD1-CB 3.33Å; D98-T100 PolarHBondContact OD1-N 3.31Å; D98-T100 PolarHBondContact OD1-OG1 3.37Å; T100-L134 HydrophobicContact CG2-CB 3.5Å; T100-L134 VanDerWaalsContact CG2-CB 3.5Å; T100-C140 WeakPolarHBondContact CB-SG 3.5Å; T100-L144 WeakPolarHBondContact O-CD2 3.43Å |
| 101 | N | 98.1 | Very high | 98.5 | Very high | 59 Ų | 59 | 28 Ų | 28 | 32% | 0.316 | 15% | 0.145 | S | C | . | . | trans | -122.6 | 93.3 | 176.3 | -178.2 | -12.5 | 0 | 0 | 0 | 110 | D98 T103 S104 F105 | D98-N101 HydrophobicContact CB-CB 3.93Å; D98-N101 PolarHBondContact O-N 3.32Å; N101-T103 VanDerWaalsContact C-N 3.26Å; N101-T103 PolarHBondContact O-N 2.97Å; N101-T103 WeakPolarHBondContact OD1-CB 3.33Å; N101-T103 PolarHBondContact OD1-N 3.44Å; N101-S104 WeakPolarHBondContact O-CB 3.41Å; N101-S104 PolarHBondContact O-N 2.89Å; N101-S104 PolarHBondContact O-OG 3.37Å; N101-S104 PolarHBondContact OD1-N 3.42Å; N101-F105 PolarHBondContact O-N 3.43Å | ||
| 102 | P | 97.8 | Very high | 98.5 | Very high | 13 Ų | 13 | 27 Ų | 27 | 8% | 0.084 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56.2 | -34.8 | 179.5 | -28.9 | 37.5 | 0 | 0 | 0 | 114.6 | S104 F105 E106 L144 L149 I152 | P102-S104 VanDerWaalsContact C-N 3.33Å; P102-S104 PolarHBondContact O-N 3.17Å; P102-F105 WeakPolarHBondContact O-CB 3.28Å; P102-F105 PolarHBondContact O-N 3.36Å; P102-F105 VanDerWaalsContact O-N 3.08Å; P102-E106 WeakPolarHBondContact O-CG 3.46Å; P102-E106 PolarHBondContact O-N 2.95Å; P102-L144 HydrophobicContact CG-CD2 4.34Å; P102-L149 HydrophobicContact CG-CB 4.3Å; P102-L149 HydrophobicContact CG-CD1 4.28Å; P102-I152 HydrophobicContact CB-CD1 4.21Å; P102-I152 HydrophobicContact CG-CD1 4.36Å |
| 103 | T | 98 | Very high | 98.5 | Very high | 75 Ų | 75 | 29 Ų | 29 | 46% | 0.46 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -61.9 | -41.3 | 175.4 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | N101 F105 E106 N107 | N101-T103 VanDerWaalsContact C-N 3.26Å; N101-T103 PolarHBondContact O-N 2.97Å; N101-T103 WeakPolarHBondContact OD1-CB 3.33Å; N101-T103 PolarHBondContact OD1-N 3.44Å; T103-F105 PolarHBondContact O-N 2.75Å; T103-E106 PolarHBondContact O-N 2.65Å; T103-N107 WeakPolarHBondContact O-CB 3.39Å; T103-N107 VanDerWaalsContact O-CG 3.26Å; T103-N107 PolarHBondContact O-N 2.87Å; T103-N107 PolarHBondContact O-ND2 3.01Å |
| 104 | S | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.6 | -27.9 | 176.1 | 76.6 | 0 | 0 | 0 | 0 | 113.2 | D26 F97 D98 N101 P102 | D26-S104 VanDerWaalsContact OD2-CA 3.29Å; D26-S104 WeakPolarHBondContact OD2-CA 3.47Å; F97-S104 WeakPolarHBondContact CB-O 3.11Å; D98-S104 PolarHBondContact N-OG 3.24Å; D98-S104 PolarHBondContact O-OG 3.24Å; N101-S104 WeakPolarHBondContact O-CB 3.41Å; N101-S104 PolarHBondContact O-N 2.89Å; N101-S104 PolarHBondContact O-OG 3.37Å; N101-S104 PolarHBondContact OD1-N 3.42Å; P102-S104 VanDerWaalsContact C-N 3.33Å; P102-S104 PolarHBondContact O-N 3.17Å |
| 105 | F | 98.8 | Very high | 98.5 | Very high | 24 Ų | 24 | 33.2 Ų | 33.2 | 11% | 0.105 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -76.6 | -44.3 | 175.5 | 179.5 | -111.7 | 0 | 0 | 0 | 111.6 | F97 N101 P102 T103 N107 V108 I152 Q156 T160 | F97-F105 AromaticContact CD1-CD2 3.95Å; F97-F105 HydrophobicContact CD1-CD2 3.95Å; F97-F105 HydrophobicContact CD2-CB 3.83Å; F97-F105 AromaticContact CD2-CD2 3.65Å; F97-F105 HydrophobicContact CD2-CD2 3.65Å; F97-F105 HydrophobicContact CD2-CG 4.17Å; F97-F105 AromaticContact CE1-CD2 3.74Å; F97-F105 HydrophobicContact CE1-CD2 3.74Å; F97-F105 AromaticContact CE1-CE2 4Å; F97-F105 HydrophobicContact CE1-CE2 4Å; F97-F105 HydrophobicContact CE2-CB 4.26Å; F97-F105 AromaticContact CE2-CD2 3.44Å; F97-F105 HydrophobicContact CE2-CD2 3.44Å; F97-F105 VanDerWaalsContact CE2-CD2 3.44Å; F97-F105 HydrophobicContact CE2-CE2 4.1Å; F97-F105 HydrophobicContact CE2-CG 4.16Å; F97-F105 HydrophobicContact CG-CB 4.28Å; F97-F105 AromaticContact CG-CD2 3.89Å; F97-F105 HydrophobicContact CG-CD2 3.89Å; F97-F105 AromaticContact CZ-CD2 3.48Å; F97-F105 HydrophobicContact CZ-CD2 3.48Å; F97-F105 VanDerWaalsContact CZ-CD2 3.48Å; F97-F105 AromaticContact CZ-CE2 3.72Å; F97-F105 HydrophobicContact CZ-CE2 3.72Å; N101-F105 PolarHBondContact O-N 3.43Å; P102-F105 WeakPolarHBondContact O-CB 3.28Å; P102-F105 PolarHBondContact O-N 3.36Å; P102-F105 VanDerWaalsContact O-N 3.08Å; T103-F105 PolarHBondContact O-N 2.75Å; F105-N107 VanDerWaalsContact C-N 3.28Å; F105-N107 PolarHBondContact O-N 3.33Å; F105-V108 WeakPolarHBondContact O-CB 3.32Å; F105-V108 WeakPolarHBondContact O-CG2 3.47Å; F105-V108 PolarHBondContact O-N 3.08Å; F105-V108 VanDerWaalsContact O-N 3.07Å; F105-I152 HydrophobicContact CB-CD1 3.97Å; F105-I152 HydrophobicContact CB-CG1 3.78Å; F105-I152 HydrophobicContact CD1-CD1 3.56Å; F105-I152 HydrophobicContact CD1-CG1 4.03Å; F105-I152 HydrophobicContact CD1-CG2 4.18Å; F105-I152 HydrophobicContact CD2-CG1 4.38Å; F105-I152 HydrophobicContact CD2-CG2 3.94Å; F105-I152 HydrophobicContact CE1-CD1 4.2Å; F105-I152 HydrophobicContact CE1-CG2 4.1Å; F105-I152 HydrophobicContact CE2-CG2 3.85Å; F105-I152 HydrophobicContact CG-CD1 3.87Å; F105-I152 HydrophobicContact CG-CG1 3.82Å; F105-I152 HydrophobicContact CG-CG2 4.07Å; F105-I152 HydrophobicContact CZ-CG2 3.91Å; F105-Q156 HydrophobicContact CE1-CB 4.31Å; F105-Q156 HydrophobicContact CZ-CB 4.06Å; F105-T160 HydrophobicContact CE2-CG2 4.31Å; F105-T160 HydrophobicContact CZ-CG2 4.4Å; F105-T160 WeakPolarHBondContact CZ-OG1 3.4Å |
| 106 | E | 98.6 | Very high | 98.4 | Very high | 109 Ų | 109 | 33.2 Ų | 33.2 | 51% | 0.509 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -58.9 | -41.5 | 173.6 | -70.4 | 170.7 | -174.3 | 0 | 0 | 111.6 | P102 T103 V108 M109 I110 | P102-E106 WeakPolarHBondContact O-CG 3.46Å; P102-E106 PolarHBondContact O-N 2.95Å; T103-E106 PolarHBondContact O-N 2.65Å; E106-V108 PolarHBondContact O-N 2.89Å; E106-V108 VanDerWaalsContact O-N 3.11Å; E106-M109 PolarHBondContact O-N 3.37Å; E106-M109 VanDerWaalsContact O-N 3.09Å; E106-I110 HydrophobicContact CB-CD1 4.2Å; E106-I110 WeakPolarHBondContact O-CG1 3.38Å; E106-I110 PolarHBondContact O-N 2.89Å |
| 107 | N | 98.8 | Very high | 98.4 | Very high | 39 Ų | 39 | 38.1 Ų | 38.1 | 21% | 0.209 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.7 | -19.4 | 177.5 | -75.7 | -20.6 | 0 | 0 | 0 | 113.6 | D26 T103 F105 M109 K111 W112 | D26-N107 WeakPolarHBondContact OD1-CB 3.39Å; D26-N107 PolarHBondContact OD1-ND2 3.36Å; D26-N107 PolarHBondContact OD2-ND2 2.94Å; T103-N107 WeakPolarHBondContact O-CB 3.39Å; T103-N107 VanDerWaalsContact O-CG 3.26Å; T103-N107 PolarHBondContact O-N 2.87Å; T103-N107 PolarHBondContact O-ND2 3.01Å; F105-N107 VanDerWaalsContact C-N 3.28Å; F105-N107 PolarHBondContact O-N 3.33Å; N107-M109 VanDerWaalsContact C-N 3.32Å; N107-M109 PolarHBondContact O-N 2.72Å; N107-K111 WeakPolarHBondContact O-CA 3.38Å; N107-K111 WeakPolarHBondContact O-CB 3.3Å; N107-K111 PolarHBondContact O-N 3.32Å; N107-W112 PolarHBondContact O-N 2.77Å |
| 108 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -55.8 | -50.2 | 171.7 | 173.4 | 0 | 0 | 0 | 0 | 110.1 | I95 F97 F105 E106 W112 Y113 L127 T160 M164 | I95-V108 HydrophobicContact CG2-CG1 4.02Å; I95-V108 HydrophobicContact CG2-CG2 4.2Å; F97-V108 HydrophobicContact CB-CG2 3.97Å; F97-V108 HydrophobicContact CD1-CG2 4.11Å; F97-V108 HydrophobicContact CG-CG2 4.34Å; F105-V108 WeakPolarHBondContact O-CB 3.32Å; F105-V108 WeakPolarHBondContact O-CG2 3.47Å; F105-V108 PolarHBondContact O-N 3.08Å; F105-V108 VanDerWaalsContact O-N 3.07Å; E106-V108 PolarHBondContact O-N 2.89Å; E106-V108 VanDerWaalsContact O-N 3.11Å; V108-W112 PolarHBondContact O-N 3.05Å; V108-Y113 WeakPolarHBondContact O-CB 3.34Å; V108-Y113 PolarHBondContact O-N 2.94Å; V108-L127 HydrophobicContact CG1-CD1 3.74Å; V108-L127 HydrophobicContact CG2-CD1 4.08Å; V108-T160 HydrophobicContact CG1-CG2 4.29Å; V108-M164 HydrophobicContact CG1-CE 3.83Å; V108-M164 HydrophobicContact CG1-SD 3.47Å; V108-M164 WeakPolarHBondContact CG1-SD 3.37Å |
| 109 | M | 98.6 | Very high | 98.3 | Very high | 63 Ų | 63 | 47.7 Ų | 47.7 | 31% | 0.31 | 23% | 0.234 | S | C | . | . | I | π-helix | trans | -84.8 | -31 | -175.7 | -69.4 | -59 | -76.6 | 0 | 0 | 112.9 | E106 N107 Y113 P114 T160 E163 M164 | E106-M109 PolarHBondContact O-N 3.37Å; E106-M109 VanDerWaalsContact O-N 3.09Å; N107-M109 VanDerWaalsContact C-N 3.32Å; N107-M109 PolarHBondContact O-N 2.72Å; M109-Y113 HydrophobicContact SD-CD1 4.48Å; M109-P114 VanDerWaalsContact O-CD 3.24Å; M109-P114 WeakPolarHBondContact O-CD 3.31Å; M109-P114 WeakPolarHBondContact O-CG 3.39Å; M109-T160 HydrophobicContact CG-CG2 3.91Å; M109-T160 HydrophobicContact SD-CG2 4.04Å; M109-E163 HydrophobicContact CE-CB 3.96Å; M109-M164 HydrophobicContact CE-CG 4.33Å; M109-M164 HydrophobicContact SD-CG 3.29Å; M109-M164 WeakPolarHBondContact SD-CG 3.42Å; M109-M164 HydrophobicContact SD-SD 4.11Å |
| 110 | I | 98.2 | Very high | 98.1 | Very high | 121 Ų | 121 | 47.9 Ų | 47.9 | 62% | 0.621 | 24% | 0.235 | S | C | * | . | I | π-helix | trans | -79.5 | -37.2 | -176.7 | -63.4 | 167.4 | 0 | 0 | 0 | 111.6 | E106 | E106-I110 HydrophobicContact CB-CD1 4.2Å; E106-I110 WeakPolarHBondContact O-CG1 3.38Å; E106-I110 PolarHBondContact O-N 2.89Å |
| 111 | K | 98.1 | Very high | 98 | Very high | 37 Ų | 37 | 56.6 Ų | 56.6 | 16% | 0.161 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -123.2 | -63.2 | -170.5 | 175.8 | 172.2 | 175.8 | 143.4 | 0 | 112.8 | D77 D80 N107 P114 E115 | D77-K111 IonicContact OD1-NZ 2.9Å; D77-K111 PolarHBondContact OD1-NZ 3.48Å; D80-K111 VanDerWaalsContact CG-NZ 3.25Å; D80-K111 WeakPolarHBondContact OD1-CE 3.32Å; D80-K111 IonicContact OD1-NZ 2.72Å; D80-K111 PolarHBondContact OD1-NZ 3.3Å; D80-K111 IonicContact OD2-NZ 2.65Å; D80-K111 PolarHBondContact OD2-NZ 2.9Å; N107-K111 WeakPolarHBondContact O-CA 3.38Å; N107-K111 WeakPolarHBondContact O-CB 3.3Å; N107-K111 PolarHBondContact O-N 3.32Å; K111-P114 WeakPolarHBondContact O-CD 2.98Å; K111-E115 WeakPolarHBondContact O-CB 3.45Å; K111-E115 PolarHBondContact O-N 2.8Å |
| 112 | W | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -68.1 | -46.1 | -163.7 | -62.4 | 113.8 | 0 | 0 | 0 | 113.2 | V24 G25 D26 I95 N107 V108 E115 V116 | V24-W112 HydrophobicContact CB-CE3 3.88Å; V24-W112 HydrophobicContact CB-CZ3 4.18Å; V24-W112 HydrophobicContact CG2-CE3 4.15Å; G25-W112 VanDerWaalsContact CA-CE2 3.42Å; G25-W112 VanDerWaalsContact O-CZ2 3.31Å; G25-W112 WeakPolarHBondContact O-CZ2 3.36Å; D26-W112 PolarHBondContact OD1-NE1 3.14Å; I95-W112 HydrophobicContact CD1-CB 4.49Å; I95-W112 HydrophobicContact CG2-CB 3.73Å; I95-W112 HydrophobicContact CG2-CG 4.41Å; N107-W112 PolarHBondContact O-N 2.77Å; V108-W112 PolarHBondContact O-N 3.05Å; W112-E115 PolarHBondContact O-N 2.62Å; W112-V116 WeakPolarHBondContact O-CB 3.36Å; W112-V116 VanDerWaalsContact O-CG2 3.24Å; W112-V116 WeakPolarHBondContact O-CG2 3.43Å; W112-V116 PolarHBondContact O-N 3.38Å |
| 113 | Y | 98.6 | Very high | 97.7 | Very high | 43 Ų | 43 | 56.1 Ų | 56.1 | 17% | 0.169 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.7 | -50.1 | 178.4 | 178.1 | -107.2 | 0 | 0 | 0 | 111.9 | I95 V108 M109 E115 V116 R117 M164 | I95-Y113 HydrophobicContact CD1-CD2 4.28Å; V108-Y113 WeakPolarHBondContact O-CB 3.34Å; V108-Y113 PolarHBondContact O-N 2.94Å; M109-Y113 HydrophobicContact SD-CD1 4.48Å; Y113-E115 VanDerWaalsContact C-N 3.33Å; Y113-E115 PolarHBondContact O-N 3.13Å; Y113-V116 PolarHBondContact O-N 3.3Å; Y113-R117 HydrophobicContact CD1-CG 4.17Å; Y113-R117 HydrophobicContact CD2-CG 3.89Å; Y113-R117 HydrophobicContact CE1-CG 3.75Å; Y113-R117 HydrophobicContact CE2-CG 3.49Å; Y113-R117 VanDerWaalsContact CE2-CG 3.49Å; Y113-R117 HydrophobicContact CG-CG 4.22Å; Y113-R117 WeakPolarHBondContact O-CB 3.43Å; Y113-R117 VanDerWaalsContact O-CG 3.26Å; Y113-R117 WeakPolarHBondContact O-CG 3.34Å; Y113-R117 PolarHBondContact O-N 3.28Å; Y113-M164 HydrophobicContact CD1-CG 4.31Å; Y113-M164 HydrophobicContact CD2-CB 3.99Å; Y113-M164 HydrophobicContact CD2-CE 3.64Å; Y113-M164 HydrophobicContact CD2-CG 4Å; Y113-M164 HydrophobicContact CE2-CB 3.8Å; Y113-M164 HydrophobicContact CE2-CE 4.41Å; Y113-M164 HydrophobicContact CE2-CG 4.29Å; Y113-M164 WeakPolarHBondContact CE2-O 3.16Å; Y113-M164 HydrophobicContact CG-CB 4.39Å; Y113-M164 HydrophobicContact CG-CE 4.09Å; Y113-M164 HydrophobicContact CG-CG 3.99Å; Y113-M164 PolarHBondContact OH-O 3.19Å |
| 114 | P | 98.4 | Very high | 97.8 | Very high | 62 Ų | 62 | 53 Ų | 53 | 40% | 0.403 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -53.2 | -45.1 | 173.2 | -29.1 | 35.6 | 0 | 0 | 0 | 114.1 | M109 K111 R117 H118 | M109-P114 VanDerWaalsContact O-CD 3.24Å; M109-P114 WeakPolarHBondContact O-CD 3.31Å; M109-P114 WeakPolarHBondContact O-CG 3.39Å; K111-P114 WeakPolarHBondContact O-CD 2.98Å; P114-R117 PolarHBondContact O-N 3.48Å; P114-H118 WeakPolarHBondContact O-CB 3.49Å; P114-H118 PolarHBondContact O-N 2.9Å |
| 115 | E | 98.3 | Very high | 97.8 | Very high | 26 Ų | 26 | 53.3 Ų | 53.3 | 12% | 0.121 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.8 | -50.6 | 177.8 | -176.2 | 176.3 | 135 | 0 | 0 | 111.5 | R83 Y87 K111 W112 Y113 R117 H118 F119 | R83-E115 WeakPolarHBondContact CD-OE1 3.32Å; R83-E115 IonicContact CZ-OE1 2.87Å; R83-E115 IonicContact NE-OE1 3.82Å; R83-E115 VanDerWaalsContact NH1-CD 3.33Å; R83-E115 IonicContact NH1-OE1 4Å; R83-E115 PolarHBondContact NH1-OE1 3.37Å; R83-E115 IonicContact NH1-OE2 2.94Å; R83-E115 PolarHBondContact NH1-OE2 3.09Å; Y87-E115 HydrophobicContact CE2-CG 4.15Å; Y87-E115 PolarHBondContact OH-OE1 3.11Å; K111-E115 WeakPolarHBondContact O-CB 3.45Å; K111-E115 PolarHBondContact O-N 2.8Å; W112-E115 PolarHBondContact O-N 2.62Å; Y113-E115 VanDerWaalsContact C-N 3.33Å; Y113-E115 PolarHBondContact O-N 3.13Å; E115-R117 VanDerWaalsContact C-N 3.31Å; E115-R117 PolarHBondContact O-N 2.94Å; E115-H118 WeakPolarHBondContact O-CB 3.26Å; E115-H118 PolarHBondContact O-N 2.69Å; E115-H118 VanDerWaalsContact O-N 3.11Å; E115-F119 HydrophobicContact CG-CD2 3.98Å; E115-F119 HydrophobicContact CG-CE2 4.04Å; E115-F119 VanDerWaalsContact O-CD2 3.32Å; E115-F119 WeakPolarHBondContact O-CD2 3.39Å; E115-F119 PolarHBondContact O-N 3Å; E115-F119 VanDerWaalsContact O-N 3.11Å |
| 116 | V | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 178.2 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | V24 Y87 V93 I95 W112 Y113 H118 F119 C120 V125 | V24-V116 HydrophobicContact CG2-CG2 3.87Å; Y87-V116 HydrophobicContact CE1-CG2 4.41Å; V93-V116 HydrophobicContact CB-CG1 3.98Å; V93-V116 HydrophobicContact CG1-CG1 3.99Å; V93-V116 HydrophobicContact CG1-CG2 3.77Å; V93-V116 HydrophobicContact CG2-CG1 3.99Å; I95-V116 HydrophobicContact CD1-CB 4.26Å; I95-V116 HydrophobicContact CD1-CG2 4.08Å; I95-V116 HydrophobicContact CG1-CG2 4.29Å; W112-V116 WeakPolarHBondContact O-CB 3.36Å; W112-V116 VanDerWaalsContact O-CG2 3.24Å; W112-V116 WeakPolarHBondContact O-CG2 3.43Å; W112-V116 PolarHBondContact O-N 3.38Å; Y113-V116 PolarHBondContact O-N 3.3Å; V116-H118 VanDerWaalsContact C-N 3.29Å; V116-H118 PolarHBondContact O-N 3.46Å; V116-F119 PolarHBondContact O-N 2.85Å; V116-C120 HydrophobicContact CG1-CB 4.14Å; V116-C120 WeakPolarHBondContact O-CA 3.36Å; V116-C120 VanDerWaalsContact O-CB 3.22Å; V116-C120 WeakPolarHBondContact O-CB 3.43Å; V116-C120 PolarHBondContact O-N 2.91Å; V116-V125 HydrophobicContact CG1-CG2 3.79Å |
| 117 | R | 97.5 | Very high | 97.8 | Very high | 102 Ų | 102 | 47 Ų | 47 | 39% | 0.385 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67 | -30.9 | 176.6 | -69.9 | -54.6 | -58.4 | -172.9 | -8.7 | 112.7 | Y113 P114 E115 R121 | Y113-R117 HydrophobicContact CD1-CG 4.17Å; Y113-R117 HydrophobicContact CD2-CG 3.89Å; Y113-R117 HydrophobicContact CE1-CG 3.75Å; Y113-R117 HydrophobicContact CE2-CG 3.49Å; Y113-R117 VanDerWaalsContact CE2-CG 3.49Å; Y113-R117 HydrophobicContact CG-CG 4.22Å; Y113-R117 WeakPolarHBondContact O-CB 3.43Å; Y113-R117 VanDerWaalsContact O-CG 3.26Å; Y113-R117 WeakPolarHBondContact O-CG 3.34Å; Y113-R117 PolarHBondContact O-N 3.28Å; P114-R117 PolarHBondContact O-N 3.48Å; E115-R117 VanDerWaalsContact C-N 3.31Å; E115-R117 PolarHBondContact O-N 2.94Å; R117-R121 VanDerWaalsContact O-CG 3.23Å; R117-R121 WeakPolarHBondContact O-CG 3.37Å |
| 118 | H | 97.5 | Very high | 97.8 | Very high | 112 Ų | 112 | 45.1 Ų | 45.1 | 52% | 0.519 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.7 | -51.8 | 175.6 | -176.7 | 86.2 | 0 | 0 | 0 | 111.4 | P114 E115 V116 | P114-H118 WeakPolarHBondContact O-CB 3.49Å; P114-H118 PolarHBondContact O-N 2.9Å; E115-H118 WeakPolarHBondContact O-CB 3.26Å; E115-H118 PolarHBondContact O-N 2.69Å; E115-H118 VanDerWaalsContact O-N 3.11Å; V116-H118 VanDerWaalsContact C-N 3.29Å; V116-H118 PolarHBondContact O-N 3.46Å |
| 119 | F | 97.6 | Very high | 97.8 | Very high | 100 Ų | 100 | 45.1 Ų | 45.1 | 44% | 0.439 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -90.1 | -32 | -172.6 | -66.8 | -72.2 | 0 | 0 | 0 | 114.7 | P84 Y87 E115 V116 | P84-F119 HydrophobicContact CB-CD1 3.91Å; P84-F119 HydrophobicContact CB-CD2 4.2Å; P84-F119 HydrophobicContact CB-CE1 3.66Å; P84-F119 HydrophobicContact CB-CE2 3.97Å; P84-F119 HydrophobicContact CB-CG 4.19Å; P84-F119 HydrophobicContact CB-CZ 3.69Å; P84-F119 HydrophobicContact CG-CD2 4.14Å; P84-F119 HydrophobicContact CG-CE1 4.01Å; P84-F119 HydrophobicContact CG-CE2 3.55Å; P84-F119 HydrophobicContact CG-CZ 3.48Å; P84-F119 VanDerWaalsContact CG-CZ 3.48Å; Y87-F119 HydrophobicContact CD2-CB 3.36Å; Y87-F119 AromaticContact CD2-CD2 3.83Å; Y87-F119 HydrophobicContact CD2-CD2 3.83Å; Y87-F119 AromaticContact CD2-CG 3.73Å; Y87-F119 HydrophobicContact CD2-CG 3.73Å; Y87-F119 HydrophobicContact CE2-CB 4.09Å; Y87-F119 AromaticContact CE2-CD2 3.8Å; Y87-F119 HydrophobicContact CE2-CD2 3.8Å; Y87-F119 HydrophobicContact CE2-CG 4.2Å; Y87-F119 HydrophobicContact CG-CB 4.09Å; E115-F119 HydrophobicContact CG-CD2 3.98Å; E115-F119 HydrophobicContact CG-CE2 4.04Å; E115-F119 VanDerWaalsContact O-CD2 3.32Å; E115-F119 WeakPolarHBondContact O-CD2 3.39Å; E115-F119 PolarHBondContact O-N 3Å; E115-F119 VanDerWaalsContact O-N 3.11Å; V116-F119 PolarHBondContact O-N 2.85Å |
| 120 | C | 96.1 | Very high | 97.8 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.034 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -111.1 | 49.2 | -175 | -62.5 | 0 | 0 | 0 | 0 | 112.1 | Y87 V93 V116 G122 T123 | Y87-C120 WeakPolarHBondContact CB-SG 3.24Å; Y87-C120 VanDerWaalsContact CG-SG 3.56Å; V93-C120 HydrophobicContact CG2-CB 4.3Å; V116-C120 HydrophobicContact CG1-CB 4.14Å; V116-C120 WeakPolarHBondContact O-CA 3.36Å; V116-C120 VanDerWaalsContact O-CB 3.22Å; V116-C120 WeakPolarHBondContact O-CB 3.43Å; V116-C120 PolarHBondContact O-N 2.91Å; C120-G122 PolarHBondContact O-N 3.27Å; C120-G122 VanDerWaalsContact O-N 3.1Å; C120-T123 HydrophobicContact CB-CG2 4.45Å; C120-T123 WeakPolarHBondContact O-CB 3.24Å; C120-T123 PolarHBondContact O-N 3.09Å; C120-T123 PolarHBondContact O-OG1 3.06Å |
| 121 | R | 94.1 | Very high | 97.8 | Very high | 197 Ų | 197 | 39.2 Ų | 39.2 | 74% | 0.743 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 119 | -175.9 | -70.2 | -179.2 | -175.6 | 177.9 | 0.3 | 112.2 | R117 T123 | R117-R121 VanDerWaalsContact O-CG 3.23Å; R117-R121 WeakPolarHBondContact O-CG 3.37Å; R121-T123 PolarHBondContact O-N 3.1Å |
| 122 | G | 93.4 | Very high | 97.8 | Very high | 46 Ų | 46 | 38.5 Ų | 38.5 | 47% | 0.474 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | -4.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | C120 F194 | C120-G122 PolarHBondContact O-N 3.27Å; C120-G122 VanDerWaalsContact O-N 3.1Å; G122-F194 WeakPolarHBondContact O-CE2 3.36Å |
| 123 | T | 97.8 | Very high | 97.7 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 10% | 0.098 | 19% | 0.194 | C | C | . | . | trans | -67.9 | 136 | 170.1 | -58 | 0 | 0 | 0 | 0 | 109.3 | A90 V93 C120 R121 | A90-T123 WeakPolarHBondContact O-CG2 3.33Å; V93-T123 HydrophobicContact CG2-CG2 4.28Å; C120-T123 HydrophobicContact CB-CG2 4.45Å; C120-T123 WeakPolarHBondContact O-CB 3.24Å; C120-T123 PolarHBondContact O-N 3.09Å; C120-T123 PolarHBondContact O-OG1 3.06Å; R121-T123 PolarHBondContact O-N 3.1Å | ||
| 124 | P | 98.4 | Very high | 97.6 | Very high | 10 Ų | 10 | 40.3 Ų | 40.3 | 7% | 0.065 | 20% | 0.198 | C | C | . | . | trans | -63.7 | 144.7 | 177.5 | 25.8 | -34.8 | 0 | 0 | 0 | 111.4 | N91 L92 V93 E167 F194 | N91-P124 WeakPolarHBondContact O-CD 3.27Å; N91-P124 VanDerWaalsContact O-CG 3.29Å; N91-P124 WeakPolarHBondContact O-CG 3.39Å; L92-P124 WeakPolarHBondContact CA-O 3.46Å; L92-P124 HydrophobicContact CB-CG 4.19Å; L92-P124 HydrophobicContact CD1-CB 4.32Å; L92-P124 HydrophobicContact CD1-CG 4.14Å; L92-P124 HydrophobicContact CG-CG 4.28Å; V93-P124 PolarHBondContact N-O 2.95Å; P124-E167 HydrophobicContact CB-CG 3.72Å; P124-F194 HydrophobicContact CG-CB 3.97Å; P124-F194 HydrophobicContact CG-CD2 4.5Å; P124-F194 HydrophobicContact CG-CG 4.12Å | ||
| 125 | V | 98.8 | Very high | 97.5 | Very high | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 138.8 | 179.4 | -179.9 | 0 | 0 | 0 | 0 | 109 | V93 I95 V116 M164 A166 E167 | V93-V125 VanDerWaalsContact O-CA 3.32Å; V93-V125 WeakPolarHBondContact O-CA 3.03Å; I95-V125 HydrophobicContact CD1-CG1 3.62Å; I95-V125 HydrophobicContact CG1-CG1 3.81Å; V116-V125 HydrophobicContact CG1-CG2 3.79Å; V125-M164 HydrophobicContact CG1-CE 4.16Å; V125-A166 HydrophobicContact CG1-CB 4.5Å; V125-E167 PolarHBondContact O-N 3.21Å |
| 126 | I | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 133.3 | 169.2 | -60 | 175.8 | 0 | 0 | 0 | 108 | L92 V93 L94 I95 I128 E167 L168 A187 | L92-I126 HydrophobicContact CD1-CD1 3.87Å; L92-I126 HydrophobicContact CD1-CG1 4.21Å; L92-I126 HydrophobicContact CD2-CD1 4.32Å; V93-I126 PolarHBondContact O-N 2.98Å; L94-I126 HydrophobicContact CD2-CB 3.85Å; L94-I126 HydrophobicContact CD2-CD1 4.34Å; L94-I126 HydrophobicContact CD2-CG2 4.39Å; I95-I126 PolarHBondContact N-O 3.42Å; I126-I128 HydrophobicContact CB-CD1 4.5Å; I126-I128 HydrophobicContact CG2-CD1 3.52Å; I126-I128 HydrophobicContact CG2-CG1 4.33Å; I126-E167 HydrophobicContact CG1-CB 4.33Å; I126-L168 HydrophobicContact CG1-CB 4.36Å; I126-L168 HydrophobicContact CG2-CB 3.93Å; I126-L168 WeakPolarHBondContact CG2-O 3.26Å; I126-A187 HydrophobicContact CD1-CB 4.05Å |
| 127 | L | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 132.9 | 173.3 | -178.8 | 63.6 | 0 | 0 | 0 | 109.6 | I95 F97 V108 G157 T160 R161 M164 L168 Y169 L170 | I95-L127 HydrophobicContact CG2-CD1 4.41Å; I95-L127 CarbonylContact O-C 3.56Å; I95-L127 WeakPolarHBondContact O-CA 3.38Å; F97-L127 HydrophobicContact CD1-CD1 3.79Å; F97-L127 HydrophobicContact CD1-CG 4.35Å; F97-L127 HydrophobicContact CE1-CD1 3.87Å; F97-L127 HydrophobicContact CE1-CD2 4.19Å; F97-L127 HydrophobicContact CE1-CG 3.93Å; V108-L127 HydrophobicContact CG1-CD1 3.74Å; V108-L127 HydrophobicContact CG2-CD1 4.08Å; L127-G157 WeakPolarHBondContact CD2-O 3.39Å; L127-T160 HydrophobicContact CD2-CG2 4.02Å; L127-R161 HydrophobicContact CD2-CB 4.36Å; L127-M164 HydrophobicContact CB-SD 4.48Å; L127-M164 HydrophobicContact CD1-CE 4.35Å; L127-M164 HydrophobicContact CD1-SD 4.18Å; L127-M164 HydrophobicContact CD2-SD 4.09Å; L127-M164 HydrophobicContact CG-SD 4.49Å; L127-L168 PolarHBondContact N-O 2.83Å; L127-Y169 HydrophobicContact CB-CD2 4.01Å; L127-Y169 HydrophobicContact CD2-CD2 3.81Å; L127-Y169 HydrophobicContact CD2-CE2 4.22Å; L127-Y169 HydrophobicContact CG-CD2 3.73Å; L127-Y169 HydrophobicContact CG-CE2 4.13Å; L127-Y169 WeakPolarHBondContact O-CA 3.31Å; L127-Y169 WeakPolarHBondContact O-CD2 3.47Å; L127-L170 PolarHBondContact O-N 3Å |
| 128 | I | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 118.8 | -176.3 | -52.3 | -65 | 0 | 0 | 0 | 110.7 | L34 L94 I95 C96 F97 I126 L170 I183 | L34-I128 HydrophobicContact CD2-CG2 4.13Å; L94-I128 HydrophobicContact CB-CG1 4.32Å; L94-I128 HydrophobicContact CD2-CD1 4.32Å; L94-I128 HydrophobicContact CD2-CG1 4.23Å; I95-I128 PolarHBondContact O-N 3.04Å; C96-I128 WeakPolarHBondContact CA-O 3.47Å; F97-I128 VanDerWaalsContact CD1-O 3.32Å; F97-I128 WeakPolarHBondContact CD1-O 3.47Å; F97-I128 PolarHBondContact N-O 2.91Å; I126-I128 HydrophobicContact CB-CD1 4.5Å; I126-I128 HydrophobicContact CG2-CD1 3.52Å; I126-I128 HydrophobicContact CG2-CG1 4.33Å; I128-L170 CarbonylContact C-O 3.57Å; I128-L170 VanDerWaalsContact CA-O 3.26Å; I128-L170 WeakPolarHBondContact CA-O 3.5Å; I128-L170 HydrophobicContact CD1-CB 4.04Å; I128-I183 HydrophobicContact CD1-CD1 4.09Å; I128-I183 HydrophobicContact CD1-CG1 4.05Å; I128-I183 HydrophobicContact CD1-CG2 3.8Å; I128-I183 HydrophobicContact CG2-CD1 3.97Å |
| 129 | G | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 108.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L170 E171 C172 | G129-L170 PolarHBondContact N-O 3.02Å; G129-E171 CarbonylContact O-C 3.55Å; G129-E171 WeakPolarHBondContact O-CA 3.48Å; G129-C172 PolarHBondContact O-N 3.08Å |
| 130 | C | 98.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.02 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 159.5 | 179.7 | -65.6 | 0 | 0 | 0 | 0 | 112.2 | C29 F97 V99 C172 | C29-C130 WeakPolarHBondContact O-CB 3.47Å; F97-C130 WeakPolarHBondContact O-CB 3.4Å; F97-C130 PolarHBondContact O-N 3.04Å; V99-C130 WeakPolarHBondContact CG1-O 3.43Å; V99-C130 WeakPolarHBondContact CG2-O 3.45Å; V99-C130 PolarHBondContact N-O 3.13Å; C130-C172 CarbonylContact C-O 3.44Å |
| 131 | K | 97.9 | Very high | 95.9 | Very high | 56 Ų | 56 | 51.9 Ų | 51.9 | 24% | 0.243 | 25% | 0.251 | C | S | . | . | trans | 65 | 40 | 173.4 | -44.6 | -169.8 | -161.1 | 163.5 | 0 | 114.4 | G28 C29 D98 D133 L134 C172 | G28-K131 VanDerWaalsContact O-CE 3.26Å; G28-K131 WeakPolarHBondContact O-CE 3.08Å; G28-K131 PolarHBondContact O-NZ 2.97Å; C29-K131 WeakPolarHBondContact O-CE 3.31Å; D98-K131 WeakPolarHBondContact OD2-CD 3.29Å; D98-K131 VanDerWaalsContact OD2-CE 3.27Å; D98-K131 WeakPolarHBondContact OD2-CE 3.29Å; D98-K131 IonicContact OD2-NZ 3.8Å; D98-K131 PolarHBondContact OD2-NZ 3.07Å; K131-D133 WeakPolarHBondContact CA-OD1 3.2Å; K131-D133 PolarHBondContact O-N 2.83Å; K131-D133 VanDerWaalsContact O-N 3.13Å; K131-L134 HydrophobicContact CB-CD1 4Å; K131-L134 HydrophobicContact CB-CG 4.25Å; K131-L134 HydrophobicContact CD-CD1 3.9Å; K131-L134 WeakPolarHBondContact O-CB 3.29Å; K131-L134 PolarHBondContact O-N 2.77Å; K131-C172 PolarHBondContact N-O 2.81Å | ||
| 132 | T | 98.3 | Very high | 95.9 | Very high | 23 Ų | 23 | 50.5 Ų | 50.5 | 14% | 0.141 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -58.5 | -24.2 | 177.7 | 47.1 | 0 | 0 | 0 | 0 | 114.5 | V99 L134 R135 E171 C172 S173 | V99-T132 HydrophobicContact CG1-CG2 4.38Å; V99-T132 HydrophobicContact CG2-CG2 4.43Å; T132-L134 PolarHBondContact O-N 2.94Å; T132-R135 WeakPolarHBondContact O-CB 2.95Å; T132-R135 PolarHBondContact O-N 3.01Å; T132-R135 VanDerWaalsContact O-N 3.16Å; T132-E171 HydrophobicContact CG2-CB 3.64Å; T132-E171 HydrophobicContact CG2-CG 4.22Å; T132-C172 PolarHBondContact N-O 2.88Å; T132-C172 VanDerWaalsContact OG1-C 3.23Å; T132-C172 PolarHBondContact OG1-O 2.66Å; T132-S173 PolarHBondContact OG1-N 3.32Å |
| 133 | D | 96.6 | Very high | 96 | Very high | 33 Ų | 33 | 53.5 Ų | 53.5 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -56.1 | -32.6 | 172.8 | 55.8 | -74.6 | 0 | 0 | 0 | 112.7 | K131 R135 S173 H176 | K131-D133 WeakPolarHBondContact CA-OD1 3.2Å; K131-D133 PolarHBondContact O-N 2.83Å; K131-D133 VanDerWaalsContact O-N 3.13Å; D133-R135 VanDerWaalsContact C-N 3.34Å; D133-R135 PolarHBondContact O-N 2.81Å; D133-S173 WeakPolarHBondContact CB-OG 3.2Å; D133-S173 VanDerWaalsContact CG-OG 3.24Å; D133-S173 WeakPolarHBondContact OD1-CB 3.5Å; D133-S173 PolarHBondContact OD1-OG 3.48Å; D133-H176 VanDerWaalsContact CB-CD2 3.45Å; D133-H176 WeakPolarHBondContact CB-CD2 3.19Å |
| 134 | L | 96.7 | Very high | 95.8 | Very high | 47 Ų | 47 | 53.4 Ų | 53.4 | 25% | 0.246 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -79.3 | -12.6 | -177.8 | -59.4 | -177.5 | 0 | 0 | 0 | 113.8 | T100 K131 T132 K136 D137 | T100-L134 HydrophobicContact CG2-CB 3.5Å; T100-L134 VanDerWaalsContact CG2-CB 3.5Å; K131-L134 HydrophobicContact CB-CD1 4Å; K131-L134 HydrophobicContact CB-CG 4.25Å; K131-L134 HydrophobicContact CD-CD1 3.9Å; K131-L134 WeakPolarHBondContact O-CB 3.29Å; K131-L134 PolarHBondContact O-N 2.77Å; T132-L134 PolarHBondContact O-N 2.94Å; L134-K136 PolarHBondContact O-N 2.83Å; L134-D137 HydrophobicContact CD2-CB 4.38Å; L134-D137 WeakPolarHBondContact O-CB 3.47Å; L134-D137 PolarHBondContact O-N 3.41Å; L134-D137 VanDerWaalsContact O-N 3.1Å |
| 135 | R | 94.9 | Very high | 95.6 | Very high | 55 Ų | 55 | 59.6 Ų | 59.6 | 21% | 0.208 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -62.9 | -31.1 | 175.8 | -73 | -175 | 176.7 | 147 | -1.9 | 113.1 | V99 T132 D133 P151 I152 E171 | V99-R135 HydrophobicContact CB-CG 4.41Å; V99-R135 VanDerWaalsContact CG1-NH2 3.27Å; V99-R135 HydrophobicContact CG2-CG 3.6Å; T132-R135 WeakPolarHBondContact O-CB 2.95Å; T132-R135 PolarHBondContact O-N 3.01Å; T132-R135 VanDerWaalsContact O-N 3.16Å; D133-R135 VanDerWaalsContact C-N 3.34Å; D133-R135 PolarHBondContact O-N 2.81Å; R135-P151 HydrophobicContact CG-CB 4.12Å; R135-I152 PolarHBondContact NE-O 3.39Å; R135-I152 PolarHBondContact NH2-O 2.89Å; R135-E171 IonicContact CZ-OE1 3.96Å; R135-E171 IonicContact CZ-OE2 2.62Å; R135-E171 IonicContact NH1-OE1 2.96Å; R135-E171 PolarHBondContact NH1-OE1 2.8Å; R135-E171 IonicContact NH1-OE2 2.85Å; R135-E171 PolarHBondContact NH1-OE2 2.9Å; R135-E171 VanDerWaalsContact NH2-CD 3.34Å; R135-E171 IonicContact NH2-OE1 2.84Å; R135-E171 PolarHBondContact NH2-OE1 2.84Å; R135-E171 IonicContact NH2-OE2 3Å |
| 136 | K | 89.9 | Confident | 95.5 | Very high | 194 Ų | 194 | 63.2 Ų | 63.2 | 84% | 0.843 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -94.4 | -2.7 | 178.3 | -61.3 | -179.1 | -174.9 | 173.3 | 0 | 112.1 | L134 K138 | L134-K136 PolarHBondContact O-N 2.83Å; K136-K138 PolarHBondContact O-N 3.08Å |
| 137 | D | 93.8 | Very high | 95.3 | Very high | 64 Ų | 64 | 69.7 Ų | 69.7 | 34% | 0.342 | 33% | 0.333 | S | S | . | . | trans | -72.6 | 124.4 | 178.9 | -179.2 | -104.2 | 0 | 0 | 0 | 110.6 | L134 E139 C140 S141 | L134-D137 HydrophobicContact CD2-CB 4.38Å; L134-D137 WeakPolarHBondContact O-CB 3.47Å; L134-D137 PolarHBondContact O-N 3.41Å; L134-D137 VanDerWaalsContact O-N 3.1Å; D137-E139 VanDerWaalsContact C-N 3.34Å; D137-E139 PolarHBondContact O-N 2.87Å; D137-E139 WeakPolarHBondContact OD1-CB 3.46Å; D137-E139 PolarHBondContact OD1-N 2.88Å; D137-C140 HydrophobicContact CB-CB 3.95Å; D137-C140 VanDerWaalsContact OD1-CB 3.28Å; D137-C140 WeakPolarHBondContact OD1-CB 3.22Å; D137-C140 PolarHBondContact OD1-N 2.64Å; D137-S141 VanDerWaalsContact O-CB 3.31Å; D137-S141 WeakPolarHBondContact O-CB 3.32Å; D137-S141 PolarHBondContact O-N 2.94Å; D137-S141 PolarHBondContact O-OG 2.88Å | ||
| 138 | K | 93.1 | Very high | 95.1 | Very high | 186 Ų | 186 | 76.9 Ų | 76.9 | 81% | 0.809 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -68.7 | -35.5 | -174.7 | -68.6 | -176.2 | -179.5 | 178.3 | 0 | 111.7 | K136 R142 | K136-K138 PolarHBondContact O-N 3.08Å; K138-R142 WeakPolarHBondContact O-CB 3.38Å; K138-R142 PolarHBondContact O-N 3.02Å |
| 139 | E | 93.4 | Very high | 95 | Very high | 104 Ų | 104 | 80.1 Ų | 80.1 | 49% | 0.486 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -71.4 | -46.4 | -178.4 | -166 | -167.6 | 147.3 | 0 | 0 | 111 | D137 R142 K143 | D137-E139 VanDerWaalsContact C-N 3.34Å; D137-E139 PolarHBondContact O-N 2.87Å; D137-E139 WeakPolarHBondContact OD1-CB 3.46Å; D137-E139 PolarHBondContact OD1-N 2.88Å; E139-R142 PolarHBondContact O-N 2.95Å; E139-K143 WeakPolarHBondContact O-CG 3.48Å; E139-K143 PolarHBondContact O-N 2.78Å; E139-K143 VanDerWaalsContact OE1-CE 3.24Å; E139-K143 WeakPolarHBondContact OE1-CE 3.49Å; E139-K143 IonicContact OE1-NZ 4Å; E139-K143 PolarHBondContact OE1-NZ 3.46Å |
| 140 | C | 91.3 | Very high | 94.8 | Very high | 21 Ų | 21 | 85.2 Ų | 85.2 | 14% | 0.142 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -56.4 | -49.7 | 173.1 | -175.6 | 0 | 0 | 0 | 0 | 110.9 | T100 D137 R142 K143 L144 | T100-C140 WeakPolarHBondContact CB-SG 3.5Å; D137-C140 HydrophobicContact CB-CB 3.95Å; D137-C140 VanDerWaalsContact OD1-CB 3.28Å; D137-C140 WeakPolarHBondContact OD1-CB 3.22Å; D137-C140 PolarHBondContact OD1-N 2.64Å; C140-R142 VanDerWaalsContact C-N 3.29Å; C140-R142 PolarHBondContact O-N 3.45Å; C140-K143 PolarHBondContact O-N 2.74Å; C140-L144 PolarHBondContact O-N 3.26Å |
| 141 | S | 91.7 | Very high | 94.8 | Very high | 28 Ų | 28 | 86.3 Ų | 86.3 | 20% | 0.196 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -58.2 | -40.5 | 176.8 | -64.5 | 0 | 0 | 0 | 0 | 112.4 | D137 K145 | D137-S141 VanDerWaalsContact O-CB 3.31Å; D137-S141 WeakPolarHBondContact O-CB 3.32Å; D137-S141 PolarHBondContact O-N 2.94Å; D137-S141 PolarHBondContact O-OG 2.88Å; S141-K145 WeakPolarHBondContact O-CB 3.5Å; S141-K145 VanDerWaalsContact O-CG 3.26Å; S141-K145 WeakPolarHBondContact O-CG 3.4Å; S141-K145 PolarHBondContact O-N 3.49Å |
| 142 | R | 93.9 | Very high | 94.8 | Very high | 168 Ų | 168 | 84 Ų | 84 | 63% | 0.634 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -66.4 | -42.8 | 177.5 | -172.2 | -175.7 | 69.3 | 91.4 | -0.9 | 111.8 | K138 E139 C140 K145 A146 | K138-R142 WeakPolarHBondContact O-CB 3.38Å; K138-R142 PolarHBondContact O-N 3.02Å; E139-R142 PolarHBondContact O-N 2.95Å; C140-R142 VanDerWaalsContact C-N 3.29Å; C140-R142 PolarHBondContact O-N 3.45Å; R142-K145 PolarHBondContact O-N 3.37Å; R142-A146 WeakPolarHBondContact O-CB 3.38Å; R142-A146 PolarHBondContact O-N 3.29Å |
| 143 | K | 94.3 | Very high | 94.8 | Very high | 109 Ų | 109 | 86.1 Ų | 86.1 | 47% | 0.474 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.1 | -46.7 | 178.3 | -76.6 | 170.5 | 169.3 | 166.4 | 0 | 111.6 | E139 C140 A146 M147 | E139-K143 WeakPolarHBondContact O-CG 3.48Å; E139-K143 PolarHBondContact O-N 2.78Å; E139-K143 VanDerWaalsContact OE1-CE 3.24Å; E139-K143 WeakPolarHBondContact OE1-CE 3.49Å; E139-K143 IonicContact OE1-NZ 4Å; E139-K143 PolarHBondContact OE1-NZ 3.46Å; C140-K143 PolarHBondContact O-N 2.74Å; K143-A146 WeakPolarHBondContact O-CB 3.45Å; K143-A146 PolarHBondContact O-N 3.46Å; K143-M147 PolarHBondContact O-N 2.69Å |
| 144 | L | 94.3 | Very high | 94.9 | Very high | 14 Ų | 14 | 90.3 Ų | 90.3 | 7% | 0.073 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63.1 | -46 | 177.4 | -74.3 | 168.7 | 0 | 0 | 0 | 111.8 | T100 P102 C140 A146 M147 N148 L149 P151 | T100-L144 WeakPolarHBondContact O-CD2 3.43Å; P102-L144 HydrophobicContact CG-CD2 4.34Å; C140-L144 PolarHBondContact O-N 3.26Å; L144-A146 VanDerWaalsContact C-N 3.29Å; L144-A146 PolarHBondContact O-N 3.17Å; L144-M147 CarbonylContact O-C 3.54Å; L144-M147 WeakPolarHBondContact O-CA 3.2Å; L144-M147 WeakPolarHBondContact O-CB 2.96Å; L144-M147 PolarHBondContact O-N 2.79Å; L144-N148 PolarHBondContact O-N 2.87Å; L144-L149 CarbonylContact C-O 3.59Å; L144-L149 HydrophobicContact CB-CB 4.3Å; L144-L149 HydrophobicContact CD2-CB 3.89Å; L144-L149 HydrophobicContact CD2-CD1 4.35Å; L144-L149 PolarHBondContact O-N 2.92Å; L144-P151 HydrophobicContact CD1-CB 4.39Å; L144-P151 HydrophobicContact CD1-CG 3.71Å |
| 145 | K | 94.2 | Very high | 95 | Very high | 139 Ų | 139 | 92.4 Ų | 92.4 | 60% | 0.604 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -60.1 | -37.2 | 176.7 | -75.7 | 179.2 | -178.6 | -173.2 | 0 | 113 | S141 R142 M147 N148 L149 | S141-K145 WeakPolarHBondContact O-CB 3.5Å; S141-K145 VanDerWaalsContact O-CG 3.26Å; S141-K145 WeakPolarHBondContact O-CG 3.4Å; S141-K145 PolarHBondContact O-N 3.49Å; R142-K145 PolarHBondContact O-N 3.37Å; K145-M147 PolarHBondContact O-N 2.85Å; K145-N148 PolarHBondContact O-N 2.84Å; K145-L149 PolarHBondContact N-O 2.96Å |
| 146 | A | 95.9 | Very high | 95.1 | Very high | 83 Ų | 83 | 93.2 Ų | 93.2 | 69% | 0.686 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.7 | -21.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R142 K143 L144 | R142-A146 WeakPolarHBondContact O-CB 3.38Å; R142-A146 PolarHBondContact O-N 3.29Å; K143-A146 WeakPolarHBondContact O-CB 3.45Å; K143-A146 PolarHBondContact O-N 3.46Å; L144-A146 VanDerWaalsContact C-N 3.29Å; L144-A146 PolarHBondContact O-N 3.17Å |
| 147 | M | 95.1 | Very high | 95.6 | Very high | 136 Ų | 136 | 84 Ų | 84 | 67% | 0.67 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | 8.8 | 174.1 | -60.4 | 176.2 | 179.6 | 0 | 0 | 112.8 | K143 L144 K145 L149 | K143-M147 PolarHBondContact O-N 2.69Å; L144-M147 CarbonylContact O-C 3.54Å; L144-M147 WeakPolarHBondContact O-CA 3.2Å; L144-M147 WeakPolarHBondContact O-CB 2.96Å; L144-M147 PolarHBondContact O-N 2.79Å; K145-M147 PolarHBondContact O-N 2.85Å; M147-L149 HydrophobicContact CB-CD1 4.07Å; M147-L149 HydrophobicContact CB-CG 4.15Å; M147-L149 PolarHBondContact O-N 2.92Å |
| 148 | N | 95.8 | Very high | 95.8 | Very high | 152 Ų | 152 | 83.1 Ų | 83.1 | 81% | 0.813 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 30.4 | -171.5 | -59.4 | -53.3 | 0 | 0 | 0 | 114.1 | L144 K145 | L144-N148 PolarHBondContact O-N 2.87Å; K145-N148 PolarHBondContact O-N 2.84Å |
| 149 | L | 96 | Very high | 96.1 | Very high | 67 Ų | 67 | 79.1 Ų | 79.1 | 35% | 0.351 | 40% | 0.399 | S | S | . | . | trans | -109.7 | 161.8 | 177.7 | -63.3 | 175.5 | 0 | 0 | 0 | 111.2 | P102 L144 K145 M147 | P102-L149 HydrophobicContact CG-CB 4.3Å; P102-L149 HydrophobicContact CG-CD1 4.28Å; L144-L149 CarbonylContact C-O 3.59Å; L144-L149 HydrophobicContact CB-CB 4.3Å; L144-L149 HydrophobicContact CD2-CB 3.89Å; L144-L149 HydrophobicContact CD2-CD1 4.35Å; L144-L149 PolarHBondContact O-N 2.92Å; K145-L149 PolarHBondContact N-O 2.96Å; M147-L149 HydrophobicContact CB-CD1 4.07Å; M147-L149 HydrophobicContact CB-CG 4.15Å; M147-L149 PolarHBondContact O-N 2.92Å | ||
| 150 | N | 95.8 | Very high | 96.3 | Very high | 108 Ų | 108 | 74.8 Ų | 74.8 | 58% | 0.578 | 38% | 0.38 | S | S | * | . | trans | -129.9 | 153.5 | 173 | -67.7 | -68.9 | 0 | 0 | 0 | 110.3 | ||||
| 151 | P | 97.3 | Very high | 96.7 | Very high | 26 Ų | 26 | 76 Ų | 76 | 17% | 0.169 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 145.7 | 167.8 | -19.9 | 30.8 | 0 | 0 | 0 | 111 | V99 R135 L144 T153 | V99-P151 CarbonylContact O-C 3.5Å; V99-P151 VanDerWaalsContact O-CA 3.32Å; V99-P151 WeakPolarHBondContact O-CA 3.24Å; V99-P151 WeakPolarHBondContact O-CB 3.22Å; R135-P151 HydrophobicContact CG-CB 4.12Å; L144-P151 HydrophobicContact CD1-CB 4.39Å; L144-P151 HydrophobicContact CD1-CG 3.71Å; P151-T153 PolarHBondContact O-N 2.88Å |
| 152 | I | 98.2 | Very high | 97 | Very high | 7 Ų | 7 | 80.2 Ų | 80.2 | 4% | 0.036 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 127.8 | 175.6 | -54 | -53.8 | 0 | 0 | 0 | 109.2 | F97 V99 P102 F105 R135 Q156 | F97-I152 HydrophobicContact CE2-CB 3.96Å; F97-I152 HydrophobicContact CE2-CG1 4.15Å; F97-I152 HydrophobicContact CE2-CG2 3.77Å; F97-I152 HydrophobicContact CZ-CG2 4.1Å; V99-I152 PolarHBondContact O-N 2.65Å; P102-I152 HydrophobicContact CB-CD1 4.21Å; P102-I152 HydrophobicContact CG-CD1 4.36Å; F105-I152 HydrophobicContact CB-CD1 3.97Å; F105-I152 HydrophobicContact CB-CG1 3.78Å; F105-I152 HydrophobicContact CD1-CD1 3.56Å; F105-I152 HydrophobicContact CD1-CG1 4.03Å; F105-I152 HydrophobicContact CD1-CG2 4.18Å; F105-I152 HydrophobicContact CD2-CG1 4.38Å; F105-I152 HydrophobicContact CD2-CG2 3.94Å; F105-I152 HydrophobicContact CE1-CD1 4.2Å; F105-I152 HydrophobicContact CE1-CG2 4.1Å; F105-I152 HydrophobicContact CE2-CG2 3.85Å; F105-I152 HydrophobicContact CG-CD1 3.87Å; F105-I152 HydrophobicContact CG-CG1 3.82Å; F105-I152 HydrophobicContact CG-CG2 4.07Å; F105-I152 HydrophobicContact CZ-CG2 3.91Å; R135-I152 PolarHBondContact NE-O 3.39Å; R135-I152 PolarHBondContact NH2-O 2.89Å; I152-Q156 HydrophobicContact CG2-CB 3.99Å |
| 153 | T | 98.2 | Very high | 97.2 | Very high | 68 Ų | 68 | 78.7 Ų | 78.7 | 42% | 0.417 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 162 | 178 | 65.2 | 0 | 0 | 0 | 0 | 111.7 | P151 V155 Q156 G157 | P151-T153 PolarHBondContact O-N 2.88Å; T153-V155 PolarHBondContact O-N 3.05Å; T153-Q156 PolarHBondContact O-N 2.7Å; T153-Q156 WeakPolarHBondContact OG1-CG 3.35Å; T153-Q156 PolarHBondContact OG1-N 2.86Å; T153-Q156 PolarHBondContact OG1-OE1 2.94Å; T153-G157 PolarHBondContact O-N 2.96Å |
| 154 | Y | 98.5 | Very high | 97.3 | Very high | 120 Ų | 120 | 73.6 Ų | 73.6 | 47% | 0.471 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.2 | -38.9 | 174.5 | -174.1 | -87.4 | 0 | 0 | 0 | 111.9 | G157 E158 Y169 E171 | Y154-G157 PolarHBondContact O-N 3.16Å; Y154-E158 HydrophobicContact CE1-CB 4.34Å; Y154-E158 PolarHBondContact O-N 2.91Å; Y154-Y169 HydrophobicContact CD2-CD1 4.15Å; Y154-Y169 AromaticContact CD2-CE1 3.71Å; Y154-Y169 HydrophobicContact CD2-CE1 3.71Å; Y154-Y169 AromaticContact CE2-CD1 3.85Å; Y154-Y169 HydrophobicContact CE2-CD1 3.85Å; Y154-Y169 AromaticContact CE2-CE1 3.86Å; Y154-Y169 HydrophobicContact CE2-CE1 3.86Å; Y154-Y169 HydrophobicContact CG-CE1 4.13Å; Y154-Y169 WeakPolarHBondContact O-CE1 3.24Å; Y154-E171 WeakPolarHBondContact CA-OE1 3.34Å; Y154-E171 HydrophobicContact CD2-CG 4.18Å; Y154-E171 WeakPolarHBondContact CD2-OE1 3.27Å; Y154-E171 HydrophobicContact CE2-CG 4.49Å |
| 155 | V | 98.6 | Very high | 97.4 | Very high | 91 Ų | 91 | 79.6 Ų | 79.6 | 55% | 0.552 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -60.7 | -47.9 | -179.8 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | T153 G157 E158 E159 | T153-V155 PolarHBondContact O-N 3.05Å; V155-G157 VanDerWaalsContact C-N 3.3Å; V155-G157 PolarHBondContact O-N 3.33Å; V155-E158 PolarHBondContact O-N 2.92Å; V155-E159 HydrophobicContact CG1-CG 4.43Å; V155-E159 WeakPolarHBondContact O-CG 3.41Å; V155-E159 PolarHBondContact O-N 3.2Å |
| 156 | Q | 98.6 | Very high | 97.6 | Very high | 73 Ų | 73 | 73.1 Ų | 73.1 | 34% | 0.341 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 176.9 | -71.4 | 169.4 | -71.5 | 0 | 0 | 112.2 | F105 I152 T153 E159 T160 | F105-Q156 HydrophobicContact CE1-CB 4.31Å; F105-Q156 HydrophobicContact CZ-CB 4.06Å; I152-Q156 HydrophobicContact CG2-CB 3.99Å; T153-Q156 PolarHBondContact O-N 2.7Å; T153-Q156 WeakPolarHBondContact OG1-CG 3.35Å; T153-Q156 PolarHBondContact OG1-N 2.86Å; T153-Q156 PolarHBondContact OG1-OE1 2.94Å; Q156-E159 PolarHBondContact O-N 3.3Å; Q156-T160 WeakPolarHBondContact O-CB 3.44Å; Q156-T160 PolarHBondContact O-N 2.96Å; Q156-T160 PolarHBondContact O-OG1 2.88Å |
| 157 | G | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L127 T153 Y154 V155 T160 R161 | L127-G157 WeakPolarHBondContact CD2-O 3.39Å; T153-G157 PolarHBondContact O-N 2.96Å; Y154-G157 PolarHBondContact O-N 3.16Å; V155-G157 VanDerWaalsContact C-N 3.3Å; V155-G157 PolarHBondContact O-N 3.33Å; G157-T160 PolarHBondContact O-N 3.25Å; G157-R161 WeakPolarHBondContact O-CB 3.44Å; G157-R161 PolarHBondContact O-N 3.33Å |
| 158 | E | 98.7 | Very high | 97.9 | Very high | 46 Ų | 46 | 69.6 Ų | 69.6 | 22% | 0.215 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69 | -39.2 | 176.6 | 180 | 52.3 | -147.5 | 0 | 0 | 112.5 | Y154 V155 R161 Q162 Y169 | Y154-E158 HydrophobicContact CE1-CB 4.34Å; Y154-E158 PolarHBondContact O-N 2.91Å; V155-E158 PolarHBondContact O-N 2.92Å; E158-R161 VanDerWaalsContact CD-NE 3.28Å; E158-R161 WeakPolarHBondContact O-CB 3.43Å; E158-R161 PolarHBondContact O-N 3.03Å; E158-R161 IonicContact OE1-CZ 3.22Å; E158-R161 VanDerWaalsContact OE1-CZ 3.22Å; E158-R161 IonicContact OE1-NE 2.78Å; E158-R161 PolarHBondContact OE1-NE 3.48Å; E158-R161 IonicContact OE1-NH2 2.77Å; E158-R161 PolarHBondContact OE1-NH2 2.88Å; E158-R161 WeakPolarHBondContact OE2-CD 3.41Å; E158-R161 IonicContact OE2-NE 3.15Å; E158-R161 PolarHBondContact OE2-NE 2.91Å; E158-R161 VanDerWaalsContact OE2-NE 3.15Å; E158-Q162 WeakPolarHBondContact O-CG 3.35Å; E158-Q162 PolarHBondContact O-N 3.47Å; E158-Q162 VanDerWaalsContact O-N 3.09Å; E158-Q162 PolarHBondContact OE1-NE2 3.21Å; E158-Y169 HydrophobicContact CB-CD1 4.28Å |
| 159 | E | 98.8 | Very high | 98 | Very high | 101 Ų | 101 | 62.5 Ų | 62.5 | 47% | 0.472 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.7 | -48.1 | 172.1 | -72.6 | 170.7 | 167.2 | 0 | 0 | 110.9 | V155 Q156 R161 Q162 E163 | V155-E159 HydrophobicContact CG1-CG 4.43Å; V155-E159 WeakPolarHBondContact O-CG 3.41Å; V155-E159 PolarHBondContact O-N 3.2Å; Q156-E159 PolarHBondContact O-N 3.3Å; E159-R161 VanDerWaalsContact C-N 3.31Å; E159-R161 PolarHBondContact O-N 3.42Å; E159-Q162 WeakPolarHBondContact O-CA 3.46Å; E159-Q162 WeakPolarHBondContact O-CB 3.26Å; E159-Q162 PolarHBondContact O-N 2.9Å; E159-E163 PolarHBondContact O-N 3.04Å |
| 160 | T | 98.8 | Very high | 98.2 | Very high | 14 Ų | 14 | 60.7 Ų | 60.7 | 9% | 0.086 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.1 | -38.1 | 178.1 | -60.8 | 0 | 0 | 0 | 0 | 111.8 | F105 V108 M109 L127 Q156 G157 Q162 E163 M164 | F105-T160 HydrophobicContact CE2-CG2 4.31Å; F105-T160 HydrophobicContact CZ-CG2 4.4Å; F105-T160 WeakPolarHBondContact CZ-OG1 3.4Å; V108-T160 HydrophobicContact CG1-CG2 4.29Å; M109-T160 HydrophobicContact CG-CG2 3.91Å; M109-T160 HydrophobicContact SD-CG2 4.04Å; L127-T160 HydrophobicContact CD2-CG2 4.02Å; Q156-T160 WeakPolarHBondContact O-CB 3.44Å; Q156-T160 PolarHBondContact O-N 2.96Å; Q156-T160 PolarHBondContact O-OG1 2.88Å; G157-T160 PolarHBondContact O-N 3.25Å; T160-Q162 VanDerWaalsContact C-N 3.28Å; T160-Q162 PolarHBondContact O-N 2.72Å; T160-E163 PolarHBondContact O-N 3.02Å; T160-M164 HydrophobicContact CG2-CG 4.32Å; T160-M164 HydrophobicContact CG2-SD 3.78Å; T160-M164 WeakPolarHBondContact O-CB 3.49Å; T160-M164 WeakPolarHBondContact O-CG 3.22Å; T160-M164 PolarHBondContact O-N 2.82Å |
| 161 | R | 98.6 | Very high | 98.3 | Very high | 47 Ų | 47 | 57 Ų | 57 | 18% | 0.177 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.9 | -40.7 | 173 | -179 | -143.5 | 64.8 | 79.2 | -9.9 | 111.8 | L127 G157 E158 E159 M164 N165 A166 | L127-R161 HydrophobicContact CD2-CB 4.36Å; G157-R161 WeakPolarHBondContact O-CB 3.44Å; G157-R161 PolarHBondContact O-N 3.33Å; E158-R161 VanDerWaalsContact CD-NE 3.28Å; E158-R161 WeakPolarHBondContact O-CB 3.43Å; E158-R161 PolarHBondContact O-N 3.03Å; E158-R161 IonicContact OE1-CZ 3.22Å; E158-R161 VanDerWaalsContact OE1-CZ 3.22Å; E158-R161 IonicContact OE1-NE 2.78Å; E158-R161 PolarHBondContact OE1-NE 3.48Å; E158-R161 IonicContact OE1-NH2 2.77Å; E158-R161 PolarHBondContact OE1-NH2 2.88Å; E158-R161 WeakPolarHBondContact OE2-CD 3.41Å; E158-R161 IonicContact OE2-NE 3.15Å; E158-R161 PolarHBondContact OE2-NE 2.91Å; E158-R161 VanDerWaalsContact OE2-NE 3.15Å; E159-R161 VanDerWaalsContact C-N 3.31Å; E159-R161 PolarHBondContact O-N 3.42Å; R161-M164 PolarHBondContact O-N 3.39Å; R161-N165 PolarHBondContact O-N 2.86Å; R161-N165 VanDerWaalsContact O-N 3.12Å; R161-A166 HydrophobicContact CG-CB 3.75Å; R161-A166 PolarHBondContact NH1-O 2.65Å; R161-A166 PolarHBondContact O-N 2.78Å |
| 162 | Q | 98.6 | Very high | 98.4 | Very high | 116 Ų | 116 | 55.8 Ų | 55.8 | 54% | 0.542 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 176.1 | -69.1 | 172.2 | 19.3 | 0 | 0 | 111.2 | E158 E159 T160 M164 N165 | E158-Q162 WeakPolarHBondContact O-CG 3.35Å; E158-Q162 PolarHBondContact O-N 3.47Å; E158-Q162 VanDerWaalsContact O-N 3.09Å; E158-Q162 PolarHBondContact OE1-NE2 3.21Å; E159-Q162 WeakPolarHBondContact O-CA 3.46Å; E159-Q162 WeakPolarHBondContact O-CB 3.26Å; E159-Q162 PolarHBondContact O-N 2.9Å; T160-Q162 VanDerWaalsContact C-N 3.28Å; T160-Q162 PolarHBondContact O-N 2.72Å; Q162-M164 VanDerWaalsContact C-N 3.32Å; Q162-M164 PolarHBondContact O-N 3.32Å; Q162-N165 PolarHBondContact O-N 3.01Å |
| 163 | E | 98.1 | Very high | 98.4 | Very high | 136 Ų | 136 | 55.5 Ų | 55.5 | 64% | 0.636 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -59.8 | -41 | 177 | -67.3 | -178.9 | -176.5 | 0 | 0 | 112.5 | M109 E159 T160 N165 | M109-E163 HydrophobicContact CE-CB 3.96Å; E159-E163 PolarHBondContact O-N 3.04Å; T160-E163 PolarHBondContact O-N 3.02Å; E163-N165 PolarHBondContact O-N 3.28Å |
| 164 | M | 96.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -13.4 | 175.2 | -66.7 | 167.5 | 66.4 | 0 | 0 | 113.4 | I95 V108 M109 Y113 V125 L127 T160 R161 Q162 A166 | I95-M164 HydrophobicContact CD1-CE 3.76Å; V108-M164 HydrophobicContact CG1-CE 3.83Å; V108-M164 HydrophobicContact CG1-SD 3.47Å; V108-M164 WeakPolarHBondContact CG1-SD 3.37Å; M109-M164 HydrophobicContact CE-CG 4.33Å; M109-M164 HydrophobicContact SD-CG 3.29Å; M109-M164 WeakPolarHBondContact SD-CG 3.42Å; M109-M164 HydrophobicContact SD-SD 4.11Å; Y113-M164 HydrophobicContact CD1-CG 4.31Å; Y113-M164 HydrophobicContact CD2-CB 3.99Å; Y113-M164 HydrophobicContact CD2-CE 3.64Å; Y113-M164 HydrophobicContact CD2-CG 4Å; Y113-M164 HydrophobicContact CE2-CB 3.8Å; Y113-M164 HydrophobicContact CE2-CE 4.41Å; Y113-M164 HydrophobicContact CE2-CG 4.29Å; Y113-M164 WeakPolarHBondContact CE2-O 3.16Å; Y113-M164 HydrophobicContact CG-CB 4.39Å; Y113-M164 HydrophobicContact CG-CE 4.09Å; Y113-M164 HydrophobicContact CG-CG 3.99Å; Y113-M164 PolarHBondContact OH-O 3.19Å; V125-M164 HydrophobicContact CG1-CE 4.16Å; L127-M164 HydrophobicContact CB-SD 4.48Å; L127-M164 HydrophobicContact CD1-CE 4.35Å; L127-M164 HydrophobicContact CD1-SD 4.18Å; L127-M164 HydrophobicContact CD2-SD 4.09Å; L127-M164 HydrophobicContact CG-SD 4.49Å; T160-M164 HydrophobicContact CG2-CG 4.32Å; T160-M164 HydrophobicContact CG2-SD 3.78Å; T160-M164 WeakPolarHBondContact O-CB 3.49Å; T160-M164 WeakPolarHBondContact O-CG 3.22Å; T160-M164 PolarHBondContact O-N 2.82Å; R161-M164 PolarHBondContact O-N 3.39Å; Q162-M164 VanDerWaalsContact C-N 3.32Å; Q162-M164 PolarHBondContact O-N 3.32Å; M164-A166 HydrophobicContact CB-CB 4.01Å; M164-A166 HydrophobicContact CE-CB 4.4Å; M164-A166 PolarHBondContact O-N 3.13Å |
| 165 | N | 96.8 | Very high | 98.2 | Very high | 141 Ų | 141 | 52.5 Ų | 52.5 | 75% | 0.754 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 42.1 | -163.1 | -169 | 27 | 0 | 0 | 0 | 111.4 | R161 Q162 E163 | R161-N165 PolarHBondContact O-N 2.86Å; R161-N165 VanDerWaalsContact O-N 3.12Å; Q162-N165 PolarHBondContact O-N 3.01Å; E163-N165 PolarHBondContact O-N 3.28Å |
| 166 | A | 98.1 | Very high | 98.1 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 2% | 0.017 | 25% | 0.254 | C | S | . | . | trans | -78.6 | 149.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | V125 R161 M164 L168 | V125-A166 HydrophobicContact CG1-CB 4.5Å; R161-A166 HydrophobicContact CG-CB 3.75Å; R161-A166 PolarHBondContact NH1-O 2.65Å; R161-A166 PolarHBondContact O-N 2.78Å; M164-A166 HydrophobicContact CB-CB 4.01Å; M164-A166 HydrophobicContact CE-CB 4.4Å; M164-A166 PolarHBondContact O-N 3.13Å; A166-L168 VanDerWaalsContact C-N 3.3Å; A166-L168 PolarHBondContact O-N 2.75Å | ||
| 167 | E | 98.2 | Very high | 97.9 | Very high | 105 Ų | 105 | 55.2 Ų | 55.2 | 49% | 0.491 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -65.7 | -32.6 | -173.6 | -67.8 | -76.6 | 164.4 | 0 | 0 | 112.9 | P124 V125 I126 | P124-E167 HydrophobicContact CB-CG 3.72Å; V125-E167 PolarHBondContact O-N 3.21Å; I126-E167 HydrophobicContact CG1-CB 4.33Å |
| 168 | L | 98.5 | Very high | 97.9 | Very high | 40 Ų | 40 | 60.1 Ų | 60.1 | 21% | 0.209 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 156.5 | -179.2 | -78.4 | -175.8 | 0 | 0 | 0 | 111.3 | I126 L127 A166 L170 E186 R190 | I126-L168 HydrophobicContact CG1-CB 4.36Å; I126-L168 HydrophobicContact CG2-CB 3.93Å; I126-L168 WeakPolarHBondContact CG2-O 3.26Å; L127-L168 PolarHBondContact N-O 2.83Å; A166-L168 VanDerWaalsContact C-N 3.3Å; A166-L168 PolarHBondContact O-N 2.75Å; L168-L170 HydrophobicContact CB-CG 4.44Å; L168-L170 HydrophobicContact CD1-CD1 4.06Å; L168-L170 HydrophobicContact CD1-CD2 4.48Å; L168-L170 HydrophobicContact CD1-CG 4.27Å; L168-E186 HydrophobicContact CD1-CB 3.82Å; L168-E186 HydrophobicContact CD1-CG 4.15Å; L168-R190 VanDerWaalsContact CG-CZ 3.5Å; L168-R190 VanDerWaalsContact CG-NH2 3.29Å |
| 169 | Y | 98.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.016 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125.3 | 159.2 | 177.5 | -128.4 | 0 | 0 | 0 | 108 | F97 L127 Y154 E158 E171 | F97-Y169 AromaticContact CE1-CE2 3.77Å; F97-Y169 HydrophobicContact CE1-CE2 3.77Å; F97-Y169 AromaticContact CZ-CE2 3.9Å; F97-Y169 HydrophobicContact CZ-CE2 3.9Å; F97-Y169 WeakPolarHBondContact CZ-OH 3.44Å; L127-Y169 HydrophobicContact CB-CD2 4.01Å; L127-Y169 HydrophobicContact CD2-CD2 3.81Å; L127-Y169 HydrophobicContact CD2-CE2 4.22Å; L127-Y169 HydrophobicContact CG-CD2 3.73Å; L127-Y169 HydrophobicContact CG-CE2 4.13Å; L127-Y169 WeakPolarHBondContact O-CA 3.31Å; L127-Y169 WeakPolarHBondContact O-CD2 3.47Å; Y154-Y169 HydrophobicContact CD2-CD1 4.15Å; Y154-Y169 AromaticContact CD2-CE1 3.71Å; Y154-Y169 HydrophobicContact CD2-CE1 3.71Å; Y154-Y169 AromaticContact CE2-CD1 3.85Å; Y154-Y169 HydrophobicContact CE2-CD1 3.85Å; Y154-Y169 AromaticContact CE2-CE1 3.86Å; Y154-Y169 HydrophobicContact CE2-CE1 3.86Å; Y154-Y169 HydrophobicContact CG-CE1 4.13Å; Y154-Y169 WeakPolarHBondContact O-CE1 3.24Å; E158-Y169 HydrophobicContact CB-CD1 4.28Å; Y169-E171 HydrophobicContact CE1-CG 3.88Å; Y169-E171 HydrophobicContact CE2-CG 4.2Å; Y169-E171 WeakPolarHBondContact OH-CG 3.33Å; Y169-E171 PolarHBondContact OH-OE1 2.87Å |
| 170 | L | 98.8 | Very high | 97.8 | Very high | 29 Ų | 29 | 56.1 Ų | 56.1 | 15% | 0.152 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 155.8 | 174.8 | -64.2 | 174.2 | 0 | 0 | 0 | 109.3 | L127 I128 G129 L168 I183 E186 | L127-L170 PolarHBondContact O-N 3Å; I128-L170 CarbonylContact C-O 3.57Å; I128-L170 VanDerWaalsContact CA-O 3.26Å; I128-L170 WeakPolarHBondContact CA-O 3.5Å; I128-L170 HydrophobicContact CD1-CB 4.04Å; G129-L170 PolarHBondContact N-O 3.02Å; L168-L170 HydrophobicContact CB-CG 4.44Å; L168-L170 HydrophobicContact CD1-CD1 4.06Å; L168-L170 HydrophobicContact CD1-CD2 4.48Å; L168-L170 HydrophobicContact CD1-CG 4.27Å; L170-I183 HydrophobicContact CB-CD1 4.49Å; L170-I183 HydrophobicContact CB-CG1 3.88Å; L170-I183 HydrophobicContact CD1-CB 4.36Å; L170-I183 HydrophobicContact CD1-CG1 3.81Å; L170-E186 HydrophobicContact CD1-CB 4.2Å; L170-E186 HydrophobicContact CD1-CG 4.46Å |
| 171 | E | 98.8 | Very high | 97.8 | Very high | 30 Ų | 30 | 60.4 Ų | 60.4 | 14% | 0.14 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 151 | 177.6 | -68.8 | -178.9 | 170.7 | 0 | 0 | 110.7 | G129 T132 R135 Y154 Y169 N179 | G129-E171 CarbonylContact O-C 3.55Å; G129-E171 WeakPolarHBondContact O-CA 3.48Å; T132-E171 HydrophobicContact CG2-CB 3.64Å; T132-E171 HydrophobicContact CG2-CG 4.22Å; R135-E171 IonicContact CZ-OE1 3.96Å; R135-E171 IonicContact CZ-OE2 2.62Å; R135-E171 IonicContact NH1-OE1 2.96Å; R135-E171 PolarHBondContact NH1-OE1 2.8Å; R135-E171 IonicContact NH1-OE2 2.85Å; R135-E171 PolarHBondContact NH1-OE2 2.9Å; R135-E171 VanDerWaalsContact NH2-CD 3.34Å; R135-E171 IonicContact NH2-OE1 2.84Å; R135-E171 PolarHBondContact NH2-OE1 2.84Å; R135-E171 IonicContact NH2-OE2 3Å; Y154-E171 WeakPolarHBondContact CA-OE1 3.34Å; Y154-E171 HydrophobicContact CD2-CG 4.18Å; Y154-E171 WeakPolarHBondContact CD2-OE1 3.27Å; Y154-E171 HydrophobicContact CE2-CG 4.49Å; Y169-E171 HydrophobicContact CE1-CG 3.88Å; Y169-E171 HydrophobicContact CE2-CG 4.2Å; Y169-E171 WeakPolarHBondContact OH-CG 3.33Å; Y169-E171 PolarHBondContact OH-OE1 2.87Å; E171-N179 VanDerWaalsContact O-CB 3.24Å; E171-N179 WeakPolarHBondContact O-CB 3.45Å; E171-N179 PolarHBondContact O-ND2 2.95Å |
| 172 | C | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.007 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 154.1 | 176.8 | 62.2 | 0 | 0 | 0 | 0 | 113.1 | G129 C130 K131 T132 E178 N179 I183 | G129-C172 PolarHBondContact O-N 3.08Å; C130-C172 CarbonylContact C-O 3.44Å; K131-C172 PolarHBondContact N-O 2.81Å; T132-C172 PolarHBondContact N-O 2.88Å; T132-C172 VanDerWaalsContact OG1-C 3.23Å; T132-C172 PolarHBondContact OG1-O 2.66Å; C172-E178 WeakPolarHBondContact CA-O 3.49Å; C172-E178 WeakPolarHBondContact CB-O 3.48Å; C172-N179 HydrophobicContact CB-CB 4.42Å; C172-I183 HydrophobicContact CB-CD1 3.54Å |
| 173 | S | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -110.2 | 105.5 | 157.1 | 178.4 | 0 | 0 | 0 | 0 | 108.7 | T132 D133 K175 H176 Q177 E178 | T132-S173 PolarHBondContact OG1-N 3.32Å; D133-S173 WeakPolarHBondContact CB-OG 3.2Å; D133-S173 VanDerWaalsContact CG-OG 3.24Å; D133-S173 WeakPolarHBondContact OD1-CB 3.5Å; D133-S173 PolarHBondContact OD1-OG 3.48Å; S173-K175 PolarHBondContact O-N 2.9Å; S173-K175 PolarHBondContact OG-N 3.35Å; S173-H176 PolarHBondContact O-N 3.35Å; S173-H176 PolarHBondContact OG-N 2.81Å; S173-Q177 CarbonylContact O-C 3.21Å; S173-Q177 WeakPolarHBondContact O-CA 3.34Å; S173-Q177 PolarHBondContact O-N 3.3Å; S173-E178 PolarHBondContact N-O 3.08Å; S173-E178 PolarHBondContact O-N 2.96Å |
| 174 | A | 97.4 | Very high | 97.7 | Very high | 9 Ų | 9 | 49.1 Ų | 49.1 | 7% | 0.074 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -34 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V37 F43 H176 Q177 | V37-A174 HydrophobicContact CG2-CB 4.14Å; V37-A174 WeakPolarHBondContact CG2-O 3.32Å; F43-A174 HydrophobicContact CD2-CB 4.13Å; F43-A174 HydrophobicContact CE2-CB 4.03Å; A174-H176 VanDerWaalsContact C-N 3.32Å; A174-H176 PolarHBondContact O-N 2.92Å; A174-Q177 PolarHBondContact O-N 3.09Å |
| 175 | K | 95.6 | Very high | 97.8 | Very high | 116 Ų | 116 | 53 Ų | 53 | 50% | 0.504 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -38 | 179.5 | -175 | -179.8 | -179.3 | -177.9 | 0 | 112.8 | F43 S173 | F43-K175 HydrophobicContact CD2-CB 4.25Å; F43-K175 HydrophobicContact CE2-CB 3.98Å; F43-K175 HydrophobicContact CZ-CB 4.29Å; S173-K175 PolarHBondContact O-N 2.9Å; S173-K175 PolarHBondContact OG-N 3.35Å |
| 176 | H | 95.8 | Very high | 97.9 | Very high | 105 Ų | 105 | 48 Ų | 48 | 49% | 0.486 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 8.7 | 178.1 | -62.3 | -43 | 0 | 0 | 0 | 113.2 | D133 S173 A174 E178 | D133-H176 VanDerWaalsContact CB-CD2 3.45Å; D133-H176 WeakPolarHBondContact CB-CD2 3.19Å; S173-H176 PolarHBondContact O-N 3.35Å; S173-H176 PolarHBondContact OG-N 2.81Å; A174-H176 VanDerWaalsContact C-N 3.32Å; A174-H176 PolarHBondContact O-N 2.92Å; H176-E178 HydrophobicContact CB-CG 3.84Å; H176-E178 PolarHBondContact O-N 3.33Å; H176-E178 VanDerWaalsContact O-N 3.12Å |
| 177 | Q | 96.1 | Very high | 97.9 | Very high | 117 Ų | 117 | 48 Ų | 48 | 55% | 0.547 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 25.7 | -175.1 | -47.7 | -169.3 | 9.8 | 0 | 0 | 113.7 | V37 G41 S173 A174 N179 | V37-Q177 HydrophobicContact CG1-CB 4.32Å; V37-Q177 HydrophobicContact CG1-CG 3.8Å; G41-Q177 PolarHBondContact O-NE2 3.24Å; S173-Q177 CarbonylContact O-C 3.21Å; S173-Q177 WeakPolarHBondContact O-CA 3.34Å; S173-Q177 PolarHBondContact O-N 3.3Å; A174-Q177 PolarHBondContact O-N 3.09Å; Q177-N179 PolarHBondContact O-N 3.48Å |
| 178 | E | 97.9 | Very high | 97.9 | Very high | 103 Ų | 103 | 43 Ų | 43 | 48% | 0.481 | 20% | 0.203 | S | C | . | . | B | Isolated β-bridge | trans | -78.2 | 124.4 | -179 | -66.4 | 178.6 | 162 | 0 | 0 | 110.1 | C172 S173 H176 V180 | C172-E178 WeakPolarHBondContact CA-O 3.49Å; C172-E178 WeakPolarHBondContact CB-O 3.48Å; S173-E178 PolarHBondContact N-O 3.08Å; S173-E178 PolarHBondContact O-N 2.96Å; H176-E178 HydrophobicContact CB-CG 3.84Å; H176-E178 PolarHBondContact O-N 3.33Å; H176-E178 VanDerWaalsContact O-N 3.12Å; E178-V180 PolarHBondContact O-N 3.24Å; E178-V180 VanDerWaalsContact O-N 3.09Å |
| 179 | N | 97.9 | Very high | 97.9 | Very high | 58 Ų | 58 | 45.1 Ų | 45.1 | 31% | 0.31 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | 10.9 | 174.8 | -153.6 | 42 | 0 | 0 | 0 | 115.6 | E171 C172 Q177 D182 I183 | E171-N179 VanDerWaalsContact O-CB 3.24Å; E171-N179 WeakPolarHBondContact O-CB 3.45Å; E171-N179 PolarHBondContact O-ND2 2.95Å; C172-N179 HydrophobicContact CB-CB 4.42Å; Q177-N179 PolarHBondContact O-N 3.48Å; N179-D182 WeakPolarHBondContact OD1-CB 3.27Å; N179-I183 WeakPolarHBondContact O-CG1 3.48Å; N179-I183 PolarHBondContact O-N 3.32Å; N179-I183 VanDerWaalsContact O-N 3.17Å |
| 180 | V | 98.1 | Very high | 97.8 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.024 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.6 | -54.3 | -179.6 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | L34 V37 Y38 E178 D182 I183 F184 | L34-V180 HydrophobicContact CD1-CB 4.31Å; L34-V180 HydrophobicContact CD1-CG1 3.91Å; L34-V180 HydrophobicContact CD1-CG2 3.98Å; V37-V180 HydrophobicContact CG1-CG1 4.15Å; V37-V180 HydrophobicContact CG1-CG2 4.17Å; Y38-V180 HydrophobicContact CD2-CG1 4.32Å; Y38-V180 HydrophobicContact CG-CG1 4.45Å; E178-V180 PolarHBondContact O-N 3.24Å; E178-V180 VanDerWaalsContact O-N 3.09Å; V180-D182 VanDerWaalsContact C-N 3.28Å; V180-D182 PolarHBondContact O-N 3.21Å; V180-I183 PolarHBondContact O-N 3.32Å; V180-F184 HydrophobicContact CG1-CD2 4.41Å; V180-F184 HydrophobicContact CG1-CE2 4.24Å; V180-F184 VanDerWaalsContact O-CD2 3.24Å; V180-F184 WeakPolarHBondContact O-CD2 3.48Å; V180-F184 PolarHBondContact O-N 3Å |
| 181 | E | 97.2 | Very high | 97.8 | Very high | 105 Ų | 105 | 46 Ų | 46 | 49% | 0.491 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.6 | -41.1 | 177.9 | -74.2 | -60.5 | 138.8 | 0 | 0 | 112.9 | Y38 I183 F184 R185 | Y38-E181 WeakPolarHBondContact CD2-OE1 3.33Å; Y38-E181 WeakPolarHBondContact CE2-OE2 3.22Å; E181-I183 PolarHBondContact O-N 3.48Å; E181-F184 PolarHBondContact O-N 3.2Å; E181-R185 WeakPolarHBondContact O-CB 3.46Å; E181-R185 PolarHBondContact O-N 2.74Å |
| 182 | D | 97.8 | Very high | 97.7 | Very high | 61 Ų | 61 | 45.1 Ų | 45.1 | 33% | 0.326 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.2 | -40.6 | -178.2 | -80.1 | 24 | 0 | 0 | 0 | 111.9 | N179 V180 F184 R185 E186 | N179-D182 WeakPolarHBondContact OD1-CB 3.27Å; V180-D182 VanDerWaalsContact C-N 3.28Å; V180-D182 PolarHBondContact O-N 3.21Å; D182-F184 PolarHBondContact O-N 3.28Å; D182-R185 PolarHBondContact O-N 2.94Å; D182-R185 IonicContact OD1-CZ 3.59Å; D182-R185 IonicContact OD1-NH1 3.74Å; D182-R185 PolarHBondContact OD1-NH1 3.43Å; D182-R185 IonicContact OD1-NH2 2.8Å; D182-R185 PolarHBondContact OD1-NH2 3.39Å; D182-R185 IonicContact OD2-CZ 2.7Å; D182-R185 IonicContact OD2-NH1 3.23Å; D182-R185 IonicContact OD2-NH2 2.86Å; D182-R185 PolarHBondContact OD2-NH2 3.02Å; D182-E186 WeakPolarHBondContact O-CB 3.33Å; D182-E186 WeakPolarHBondContact O-CG 3.42Å; D182-E186 PolarHBondContact O-N 2.65Å |
| 183 | I | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.7 | -51.5 | 173.7 | -73.7 | 166.3 | 0 | 0 | 0 | 110.7 | L34 L94 I128 L170 C172 N179 V180 E181 E186 A187 | L34-I183 HydrophobicContact CD1-CD1 4.32Å; L34-I183 HydrophobicContact CD2-CD1 4.5Å; L94-I183 HydrophobicContact CD1-CG2 4.33Å; I128-I183 HydrophobicContact CD1-CD1 4.09Å; I128-I183 HydrophobicContact CD1-CG1 4.05Å; I128-I183 HydrophobicContact CD1-CG2 3.8Å; I128-I183 HydrophobicContact CG2-CD1 3.97Å; L170-I183 HydrophobicContact CB-CD1 4.49Å; L170-I183 HydrophobicContact CB-CG1 3.88Å; L170-I183 HydrophobicContact CD1-CB 4.36Å; L170-I183 HydrophobicContact CD1-CG1 3.81Å; C172-I183 HydrophobicContact CB-CD1 3.54Å; N179-I183 WeakPolarHBondContact O-CG1 3.48Å; N179-I183 PolarHBondContact O-N 3.32Å; N179-I183 VanDerWaalsContact O-N 3.17Å; V180-I183 PolarHBondContact O-N 3.32Å; E181-I183 PolarHBondContact O-N 3.48Å; I183-E186 PolarHBondContact O-N 3.06Å; I183-A187 VanDerWaalsContact O-CB 3.24Å; I183-A187 WeakPolarHBondContact O-CB 3.37Å; I183-A187 PolarHBondContact O-N 2.88Å |
| 184 | F | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -73.3 | -29.8 | -176.3 | -69.1 | -79.5 | 0 | 0 | 0 | 112.6 | L34 L35 Y38 L70 L94 V180 E181 D182 T188 | L34-F184 HydrophobicContact CD1-CE2 3.86Å; L34-F184 HydrophobicContact CD1-CZ 4.44Å; L34-F184 HydrophobicContact CD2-CZ 4.5Å; L34-F184 HydrophobicContact CG-CE2 3.97Å; L34-F184 HydrophobicContact CG-CZ 4.04Å; L35-F184 HydrophobicContact CD2-CE1 3.95Å; L35-F184 HydrophobicContact CD2-CZ 3.81Å; Y38-F184 HydrophobicContact CD1-CB 4.1Å; Y38-F184 AromaticContact CD1-CD1 3.64Å; Y38-F184 HydrophobicContact CD1-CD1 3.64Å; Y38-F184 AromaticContact CD1-CD2 3.41Å; Y38-F184 HydrophobicContact CD1-CD2 3.41Å; Y38-F184 VanDerWaalsContact CD1-CD2 3.41Å; Y38-F184 AromaticContact CD1-CE1 3.89Å; Y38-F184 HydrophobicContact CD1-CE1 3.89Å; Y38-F184 AromaticContact CD1-CE2 3.69Å; Y38-F184 HydrophobicContact CD1-CE2 3.69Å; Y38-F184 AromaticContact CD1-CG 3.41Å; Y38-F184 HydrophobicContact CD1-CG 3.41Å; Y38-F184 VanDerWaalsContact CD1-CG 3.41Å; Y38-F184 AromaticContact CD1-CZ 3.93Å; Y38-F184 HydrophobicContact CD1-CZ 3.93Å; Y38-F184 HydrophobicContact CD2-CB 4.03Å; Y38-F184 AromaticContact CD2-CD2 3.38Å; Y38-F184 HydrophobicContact CD2-CD2 3.38Å; Y38-F184 HydrophobicContact CD2-CE2 4.08Å; Y38-F184 AromaticContact CD2-CG 3.85Å; Y38-F184 HydrophobicContact CD2-CG 3.85Å; Y38-F184 HydrophobicContact CE1-CB 3.59Å; Y38-F184 AromaticContact CE1-CD1 3.62Å; Y38-F184 HydrophobicContact CE1-CD1 3.62Å; Y38-F184 AromaticContact CE1-CD2 3.85Å; Y38-F184 HydrophobicContact CE1-CD2 3.85Å; Y38-F184 HydrophobicContact CE1-CE1 4.29Å; Y38-F184 HydrophobicContact CE1-CE2 4.5Å; Y38-F184 AromaticContact CE1-CG 3.38Å; Y38-F184 HydrophobicContact CE1-CG 3.38Å; Y38-F184 HydrophobicContact CE2-CB 3.54Å; Y38-F184 AromaticContact CE2-CD2 3.84Å; Y38-F184 HydrophobicContact CE2-CD2 3.84Å; Y38-F184 AromaticContact CE2-CG 3.84Å; Y38-F184 HydrophobicContact CE2-CG 3.84Å; Y38-F184 HydrophobicContact CG-CB 4.29Å; Y38-F184 HydrophobicContact CG-CD1 4.28Å; Y38-F184 AromaticContact CG-CD2 3.15Å; Y38-F184 HydrophobicContact CG-CD2 3.15Å; Y38-F184 HydrophobicContact CG-CE1 4.49Å; Y38-F184 AromaticContact CG-CE2 3.44Å; Y38-F184 HydrophobicContact CG-CE2 3.44Å; Y38-F184 VanDerWaalsContact CG-CE2 3.44Å; Y38-F184 AromaticContact CG-CG 3.65Å; Y38-F184 HydrophobicContact CG-CG 3.65Å; Y38-F184 HydrophobicContact CG-CZ 4.12Å; Y38-F184 AromaticContact CZ-CG 3.62Å; L70-F184 HydrophobicContact CD1-CE1 4.16Å; L70-F184 HydrophobicContact CD2-CD1 4.14Å; L70-F184 HydrophobicContact CD2-CE1 3.99Å; L94-F184 HydrophobicContact CD1-CE1 4.11Å; L94-F184 HydrophobicContact CD1-CZ 4.44Å; V180-F184 HydrophobicContact CG1-CD2 4.41Å; V180-F184 HydrophobicContact CG1-CE2 4.24Å; V180-F184 VanDerWaalsContact O-CD2 3.24Å; V180-F184 WeakPolarHBondContact O-CD2 3.48Å; V180-F184 PolarHBondContact O-N 3Å; E181-F184 PolarHBondContact O-N 3.2Å; D182-F184 PolarHBondContact O-N 3.28Å; F184-T188 VanDerWaalsContact O-CB 3.24Å; F184-T188 WeakPolarHBondContact O-CB 3.38Å; F184-T188 PolarHBondContact O-N 2.69Å; F184-T188 PolarHBondContact O-OG1 3.48Å |
| 185 | R | 98.1 | Very high | 97.2 | Very high | 83 Ų | 83 | 49.8 Ų | 49.8 | 31% | 0.313 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.9 | -48.9 | 170.2 | -176.1 | 179.8 | 65 | -122.4 | 2.9 | 111.5 | I59 L61 E181 D182 T188 K189 | I59-R185 HydrophobicContact CD1-CB 4.29Å; L61-R185 HydrophobicContact CD1-CG 4.11Å; E181-R185 WeakPolarHBondContact O-CB 3.46Å; E181-R185 PolarHBondContact O-N 2.74Å; D182-R185 PolarHBondContact O-N 2.94Å; D182-R185 IonicContact OD1-CZ 3.59Å; D182-R185 IonicContact OD1-NH1 3.74Å; D182-R185 PolarHBondContact OD1-NH1 3.43Å; D182-R185 IonicContact OD1-NH2 2.8Å; D182-R185 PolarHBondContact OD1-NH2 3.39Å; D182-R185 IonicContact OD2-CZ 2.7Å; D182-R185 IonicContact OD2-NH1 3.23Å; D182-R185 IonicContact OD2-NH2 2.86Å; D182-R185 PolarHBondContact OD2-NH2 3.02Å; R185-T188 PolarHBondContact O-N 2.72Å; R185-K189 WeakPolarHBondContact O-CG 3.37Å; R185-K189 PolarHBondContact O-N 3.35Å; R185-K189 VanDerWaalsContact O-N 3.08Å |
| 186 | E | 98.5 | Very high | 97 | Very high | 37 Ų | 37 | 50.8 Ų | 50.8 | 17% | 0.173 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.5 | -36.6 | -179.8 | -70.1 | -51.3 | 121.9 | 0 | 0 | 112.5 | L168 L170 D182 I183 K189 R190 | L168-E186 HydrophobicContact CD1-CB 3.82Å; L168-E186 HydrophobicContact CD1-CG 4.15Å; L170-E186 HydrophobicContact CD1-CB 4.2Å; L170-E186 HydrophobicContact CD1-CG 4.46Å; D182-E186 WeakPolarHBondContact O-CB 3.33Å; D182-E186 WeakPolarHBondContact O-CG 3.42Å; D182-E186 PolarHBondContact O-N 2.65Å; I183-E186 PolarHBondContact O-N 3.06Å; E186-K189 IonicContact OE1-NZ 3.44Å; E186-K189 PolarHBondContact OE1-NZ 2.97Å; E186-R190 WeakPolarHBondContact O-CD 3.36Å; E186-R190 PolarHBondContact O-N 3.25Å; E186-R190 PolarHBondContact O-NH1 3.1Å; E186-R190 IonicContact OE2-CZ 3.55Å; E186-R190 IonicContact OE2-NH1 3.64Å; E186-R190 PolarHBondContact OE2-NH1 3.23Å; E186-R190 IonicContact OE2-NH2 3.59Å |
| 187 | A | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.9 | -47.1 | 171 | 0 | 0 | 0 | 0 | 0 | 111.5 | I21 L92 L94 I126 I183 K189 R190 A191 | I21-A187 HydrophobicContact CD1-CB 4.08Å; L92-A187 HydrophobicContact CD1-CB 4.18Å; L92-A187 WeakPolarHBondContact CD1-O 3.32Å; L92-A187 HydrophobicContact CD2-CB 3.95Å; L94-A187 HydrophobicContact CD2-CB 4.41Å; I126-A187 HydrophobicContact CD1-CB 4.05Å; I183-A187 VanDerWaalsContact O-CB 3.24Å; I183-A187 WeakPolarHBondContact O-CB 3.37Å; I183-A187 PolarHBondContact O-N 2.88Å; A187-K189 PolarHBondContact O-N 2.73Å; A187-R190 PolarHBondContact O-N 2.93Å; A187-A191 WeakPolarHBondContact O-CB 3.22Å; A187-A191 PolarHBondContact O-N 2.99Å |
| 188 | T | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.8 | -46 | 179 | -63 | 0 | 0 | 0 | 0 | 111.6 | L19 I59 L61 I66 L68 F184 R185 R190 A191 L192 | L19-T188 HydrophobicContact CD1-CG2 3.91Å; I59-T188 HydrophobicContact CG2-CG2 3.84Å; L61-T188 HydrophobicContact CD2-CG2 4.06Å; I66-T188 HydrophobicContact CD1-CG2 3.7Å; I66-T188 HydrophobicContact CG2-CG2 4.33Å; L68-T188 HydrophobicContact CD2-CG2 4.43Å; F184-T188 VanDerWaalsContact O-CB 3.24Å; F184-T188 WeakPolarHBondContact O-CB 3.38Å; F184-T188 PolarHBondContact O-N 2.69Å; F184-T188 PolarHBondContact O-OG1 3.48Å; R185-T188 PolarHBondContact O-N 2.72Å; T188-R190 VanDerWaalsContact C-N 3.33Å; T188-R190 PolarHBondContact O-N 2.84Å; T188-A191 PolarHBondContact O-N 2.63Å; T188-L192 HydrophobicContact CG2-CD1 4.26Å; T188-L192 WeakPolarHBondContact O-CB 3.46Å; T188-L192 WeakPolarHBondContact O-CG 3.21Å; T188-L192 PolarHBondContact O-N 3.13Å |
| 189 | K | 97.9 | Very high | 96 | Very high | 86 Ų | 86 | 51.7 Ų | 51.7 | 37% | 0.374 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -55.3 | -46.7 | 176.6 | -74.1 | 171.5 | -176.7 | 174.2 | 0 | 112.1 | L61 R185 E186 A187 A193 | L61-K189 HydrophobicContact CD1-CG 4.34Å; L61-K189 HydrophobicContact CD2-CG 3.7Å; R185-K189 WeakPolarHBondContact O-CG 3.37Å; R185-K189 PolarHBondContact O-N 3.35Å; R185-K189 VanDerWaalsContact O-N 3.08Å; E186-K189 IonicContact OE1-NZ 3.44Å; E186-K189 PolarHBondContact OE1-NZ 2.97Å; A187-K189 PolarHBondContact O-N 2.73Å; K189-A193 PolarHBondContact O-N 3.45Å; K189-A193 VanDerWaalsContact O-N 3.09Å |
| 190 | R | 98.2 | Very high | 95.4 | Very high | 51 Ų | 51 | 53 Ų | 53 | 19% | 0.192 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.8 | -42.8 | -178.2 | -76.3 | 156.6 | -179.1 | 75.8 | 3.5 | 112.5 | L92 L168 E186 A187 T188 L192 A193 F194 | L92-R190 HydrophobicContact CD1-CB 3.86Å; L168-R190 VanDerWaalsContact CG-CZ 3.5Å; L168-R190 VanDerWaalsContact CG-NH2 3.29Å; E186-R190 WeakPolarHBondContact O-CD 3.36Å; E186-R190 PolarHBondContact O-N 3.25Å; E186-R190 PolarHBondContact O-NH1 3.1Å; E186-R190 IonicContact OE2-CZ 3.55Å; E186-R190 IonicContact OE2-NH1 3.64Å; E186-R190 PolarHBondContact OE2-NH1 3.23Å; E186-R190 IonicContact OE2-NH2 3.59Å; A187-R190 PolarHBondContact O-N 2.93Å; T188-R190 VanDerWaalsContact C-N 3.33Å; T188-R190 PolarHBondContact O-N 2.84Å; R190-L192 VanDerWaalsContact C-N 3.33Å; R190-L192 PolarHBondContact O-N 3.29Å; R190-A193 PolarHBondContact O-N 3.45Å; R190-F194 WeakPolarHBondContact O-CB 3.41Å; R190-F194 PolarHBondContact O-N 3.16Å |
| 191 | A | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.6 | -40.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L19 N91 L92 A187 T188 F194 N195 | L19-A191 HydrophobicContact CD1-CB 3.89Å; L19-A191 HydrophobicContact CD2-CB 4.18Å; L19-A191 HydrophobicContact CG-CB 4.48Å; N91-A191 HydrophobicContact CB-CB 4.01Å; L92-A191 HydrophobicContact CB-CB 4.04Å; A187-A191 WeakPolarHBondContact O-CB 3.22Å; A187-A191 PolarHBondContact O-N 2.99Å; T188-A191 PolarHBondContact O-N 2.63Å; A191-F194 PolarHBondContact O-N 3.15Å; A191-N195 WeakPolarHBondContact O-CB 3.38Å; A191-N195 PolarHBondContact O-N 3.46Å |
| 192 | L | 96.4 | Very high | 94.1 | Very high | 12 Ų | 12 | 58.1 Ų | 58.1 | 6% | 0.063 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 173 | -74.2 | 175.1 | 0 | 0 | 0 | 112.5 | E17 L19 L61 I66 T188 R190 F194 N195 R196 | E17-L192 HydrophobicContact CG-CD2 3.78Å; E17-L192 VanDerWaalsContact OE2-CD2 3.28Å; E17-L192 WeakPolarHBondContact OE2-CD2 3.45Å; L19-L192 HydrophobicContact CD1-CD2 4.05Å; L19-L192 HydrophobicContact CD1-CG 4Å; L19-L192 HydrophobicContact CD2-CD2 4.25Å; L19-L192 HydrophobicContact CG-CD2 4.5Å; L61-L192 HydrophobicContact CD2-CD1 3.91Å; I66-L192 HydrophobicContact CD1-CD1 3.42Å; I66-L192 VanDerWaalsContact CD1-CD1 3.42Å; I66-L192 HydrophobicContact CD1-CD2 4.2Å; I66-L192 HydrophobicContact CD1-CG 4.18Å; T188-L192 HydrophobicContact CG2-CD1 4.26Å; T188-L192 WeakPolarHBondContact O-CB 3.46Å; T188-L192 WeakPolarHBondContact O-CG 3.21Å; T188-L192 PolarHBondContact O-N 3.13Å; R190-L192 VanDerWaalsContact C-N 3.33Å; R190-L192 PolarHBondContact O-N 3.29Å; L192-F194 VanDerWaalsContact C-N 3.32Å; L192-F194 PolarHBondContact O-N 3.5Å; L192-N195 PolarHBondContact O-N 3.19Å; L192-R196 WeakPolarHBondContact O-CG 3.5Å; L192-R196 PolarHBondContact O-N 3.23Å |
| 193 | A | 95.9 | Very high | 93.3 | Very high | 57 Ų | 57 | 63.6 Ų | 63.6 | 47% | 0.471 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | K189 R190 R196 K197 | K189-A193 PolarHBondContact O-N 3.45Å; K189-A193 VanDerWaalsContact O-N 3.09Å; R190-A193 PolarHBondContact O-N 3.45Å; A193-R196 PolarHBondContact O-N 3.37Å; A193-K197 PolarHBondContact O-N 3.36Å |
| 194 | F | 95.4 | Very high | 92.3 | Very high | 31 Ų | 31 | 70.4 Ų | 70.4 | 14% | 0.136 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.1 | -48.3 | 174.3 | 177.6 | -110.9 | 0 | 0 | 0 | 112 | N91 G122 P124 R190 A191 L192 R196 K197 Q198 | N91-F194 WeakPolarHBondContact O-CD1 3.17Å; G122-F194 WeakPolarHBondContact O-CE2 3.36Å; P124-F194 HydrophobicContact CG-CB 3.97Å; P124-F194 HydrophobicContact CG-CD2 4.5Å; P124-F194 HydrophobicContact CG-CG 4.12Å; R190-F194 WeakPolarHBondContact O-CB 3.41Å; R190-F194 PolarHBondContact O-N 3.16Å; A191-F194 PolarHBondContact O-N 3.15Å; L192-F194 VanDerWaalsContact C-N 3.32Å; L192-F194 PolarHBondContact O-N 3.5Å; F194-R196 VanDerWaalsContact C-N 3.34Å; F194-R196 PolarHBondContact O-N 2.99Å; F194-K197 WeakPolarHBondContact O-CB 3.46Å; F194-K197 PolarHBondContact O-N 2.85Å; F194-K197 VanDerWaalsContact O-N 3.13Å; F194-Q198 HydrophobicContact CD1-CG 4.32Å; F194-Q198 HydrophobicContact CD2-CG 4.34Å; F194-Q198 HydrophobicContact CE1-CG 3.95Å; F194-Q198 HydrophobicContact CE2-CG 3.96Å; F194-Q198 HydrophobicContact CZ-CG 3.76Å; F194-Q198 VanDerWaalsContact CZ-NE2 3.31Å; F194-Q198 WeakPolarHBondContact O-CG 3.36Å; F194-Q198 PolarHBondContact O-N 2.86Å |
| 195 | N | 92.7 | Very high | 91.2 | Very high | 20 Ų | 20 | 77.8 Ų | 77.8 | 11% | 0.107 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.6 | -39 | 178.5 | -86.8 | -8.4 | 0 | 0 | 0 | 113.2 | L19 N91 A191 L192 Q198 R199 | L19-N195 WeakPolarHBondContact CD2-ND2 3.49Å; N91-N195 PolarHBondContact ND2-ND2 3.47Å; N91-N195 VanDerWaalsContact ND2-ND2 3.16Å; N91-N195 PolarHBondContact ND2-OD1 2.95Å; A191-N195 WeakPolarHBondContact O-CB 3.38Å; A191-N195 PolarHBondContact O-N 3.46Å; L192-N195 PolarHBondContact O-N 3.19Å; N195-Q198 PolarHBondContact O-N 2.9Å; N195-R199 WeakPolarHBondContact O-CB 3.28Å; N195-R199 WeakPolarHBondContact O-CG 3.34Å; N195-R199 PolarHBondContact O-N 3.4Å |
| 196 | R | 92.4 | Very high | 89.8 | Confident | 137 Ų | 137 | 81.7 Ų | 81.7 | 52% | 0.517 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 173.7 | -69.8 | 172.4 | -171.9 | 178.4 | 4.5 | 111.2 | L192 A193 F194 R199 N200 | L192-R196 WeakPolarHBondContact O-CG 3.5Å; L192-R196 PolarHBondContact O-N 3.23Å; A193-R196 PolarHBondContact O-N 3.37Å; F194-R196 VanDerWaalsContact C-N 3.34Å; F194-R196 PolarHBondContact O-N 2.99Å; R196-R199 PolarHBondContact O-N 2.89Å; R196-N200 VanDerWaalsContact O-CG 3.31Å; R196-N200 PolarHBondContact O-N 3.17Å |
| 197 | K | 90.9 | Very high | 88 | Confident | 139 Ų | 139 | 84.6 Ų | 84.6 | 60% | 0.604 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -60.8 | -44.9 | 176.2 | -171.5 | 176.7 | -179.8 | 178.3 | 0 | 111.7 | A193 F194 N200 N201 | A193-K197 PolarHBondContact O-N 3.36Å; F194-K197 WeakPolarHBondContact O-CB 3.46Å; F194-K197 PolarHBondContact O-N 2.85Å; F194-K197 VanDerWaalsContact O-N 3.13Å; K197-N200 PolarHBondContact O-N 3.36Å; K197-N201 PolarHBondContact O-N 3.38Å |
| 198 | Q | 88.8 | Confident | 86.3 | Confident | 72 Ų | 72 | 91.5 Ų | 91.5 | 34% | 0.336 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 177.8 | -68.2 | -60 | -19.7 | 0 | 0 | 112.7 | F194 N195 N200 N201 K202 | F194-Q198 HydrophobicContact CD1-CG 4.32Å; F194-Q198 HydrophobicContact CD2-CG 4.34Å; F194-Q198 HydrophobicContact CE1-CG 3.95Å; F194-Q198 HydrophobicContact CE2-CG 3.96Å; F194-Q198 HydrophobicContact CZ-CG 3.76Å; F194-Q198 VanDerWaalsContact CZ-NE2 3.31Å; F194-Q198 WeakPolarHBondContact O-CG 3.36Å; F194-Q198 PolarHBondContact O-N 2.86Å; N195-Q198 PolarHBondContact O-N 2.9Å; Q198-N200 PolarHBondContact O-N 3.29Å; Q198-N201 PolarHBondContact O-N 3.32Å; Q198-K202 WeakPolarHBondContact O-CG 3.34Å; Q198-K202 PolarHBondContact O-N 3.2Å |
| 199 | R | 87.7 | Confident | 84.1 | Confident | 132 Ų | 132 | 98.3 Ų | 98.3 | 50% | 0.498 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 175.7 | -73.6 | 174.9 | -179 | 157 | 5.4 | 111.5 | E17 N195 R196 K202 R203 | E17-R199 IonicContact OE1-CZ 3.21Å; E17-R199 IonicContact OE1-NH1 2.95Å; E17-R199 PolarHBondContact OE1-NH1 3.12Å; E17-R199 IonicContact OE1-NH2 2.64Å; E17-R199 PolarHBondContact OE1-NH2 3.49Å; N195-R199 WeakPolarHBondContact O-CB 3.28Å; N195-R199 WeakPolarHBondContact O-CG 3.34Å; N195-R199 PolarHBondContact O-N 3.4Å; R196-R199 PolarHBondContact O-N 2.89Å; R199-K202 PolarHBondContact O-N 2.98Å; R199-R203 WeakPolarHBondContact O-CG 3.45Å; R199-R203 PolarHBondContact O-N 2.76Å |
| 200 | N | 87.1 | Confident | 81.4 | Confident | 85 Ų | 85 | 105 Ų | 105 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.5 | -42 | 178.7 | -72.5 | -8.5 | 0 | 0 | 0 | 112.2 | R196 K197 Q198 K202 R203 K204 | R196-N200 VanDerWaalsContact O-CG 3.31Å; R196-N200 PolarHBondContact O-N 3.17Å; K197-N200 PolarHBondContact O-N 3.36Å; Q198-N200 PolarHBondContact O-N 3.29Å; N200-K202 PolarHBondContact O-N 2.99Å; N200-R203 PolarHBondContact O-N 2.95Å; N200-K204 PolarHBondContact O-N 3.49Å |
| 201 | N | 84.8 | Confident | 80.6 | Confident | 68 Ų | 68 | 107.8 Ų | 107.8 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 176.6 | -73.3 | -7 | 0 | 0 | 0 | 112.1 | K197 Q198 K204 K205 | K197-N201 PolarHBondContact O-N 3.38Å; Q198-N201 PolarHBondContact O-N 3.32Å; N201-K204 PolarHBondContact O-N 3.17Å; N201-K205 WeakPolarHBondContact O-CG 3.44Å; N201-K205 PolarHBondContact O-N 2.53Å; N201-K205 VanDerWaalsContact O-N 3.07Å |
| 202 | K | 83.3 | Confident | 79.7 | Confident | 149 Ų | 149 | 113.4 Ų | 113.4 | 65% | 0.648 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.9 | -40 | 174.6 | -73.7 | -176.9 | -178.2 | -176.6 | 0 | 112.1 | Q198 R199 N200 K206 | Q198-K202 WeakPolarHBondContact O-CG 3.34Å; Q198-K202 PolarHBondContact O-N 3.2Å; R199-K202 PolarHBondContact O-N 2.98Å; N200-K202 PolarHBondContact O-N 2.99Å; K202-K206 WeakPolarHBondContact O-CG 3.48Å; K202-K206 PolarHBondContact O-N 3.36Å |
| 203 | R | 80.8 | Confident | 78.8 | Confident | 177 Ų | 177 | 119.1 Ų | 119.1 | 67% | 0.668 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64 | -47.1 | 175.9 | -74.9 | 177.6 | 174 | -179.7 | -3.8 | 112 | R199 N200 K205 K206 C207 | R199-R203 WeakPolarHBondContact O-CG 3.45Å; R199-R203 PolarHBondContact O-N 2.76Å; N200-R203 PolarHBondContact O-N 2.95Å; R203-K205 VanDerWaalsContact C-N 3.35Å; R203-K205 PolarHBondContact O-N 3.42Å; R203-K206 PolarHBondContact O-N 2.79Å; R203-K206 VanDerWaalsContact O-N 3.13Å; R203-C207 PolarHBondContact O-N 2.66Å; R203-C207 VanDerWaalsContact O-N 3.17Å |
| 204 | K | 77 | Confident | 77.7 | Confident | 143 Ų | 143 | 122.7 Ų | 122.7 | 62% | 0.622 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -58.7 | -43.7 | 177 | -72.4 | -175.2 | 177.4 | -172.3 | 0 | 112.3 | N200 N201 K206 C207 L208 | N200-K204 PolarHBondContact O-N 3.49Å; N201-K204 PolarHBondContact O-N 3.17Å; K204-K206 VanDerWaalsContact C-N 3.3Å; K204-K206 PolarHBondContact O-N 2.99Å; K204-C207 PolarHBondContact O-N 3.49Å; K204-L208 WeakPolarHBondContact O-CG 3.24Å; K204-L208 PolarHBondContact O-N 3.38Å |
| 205 | K | 74.4 | Confident | 76.6 | Confident | 154 Ų | 154 | 128.4 Ų | 128.4 | 67% | 0.67 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.9 | -33.7 | 176.3 | -72.8 | -173 | 178 | -169.8 | 0 | 113.2 | N201 R203 L208 | N201-K205 WeakPolarHBondContact O-CG 3.44Å; N201-K205 PolarHBondContact O-N 2.53Å; N201-K205 VanDerWaalsContact O-N 3.07Å; R203-K205 VanDerWaalsContact C-N 3.35Å; R203-K205 PolarHBondContact O-N 3.42Å; K205-L208 PolarHBondContact O-N 3.4Å |
| 206 | K | 69.8 | Low | 75.6 | Confident | 165 Ų | 165 | 135.7 Ų | 135.7 | 72% | 0.717 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -71.4 | -29.7 | 175.7 | -74.2 | -173.5 | 175.9 | -164.5 | 0 | 113.4 | K202 R203 K204 L208 | K202-K206 WeakPolarHBondContact O-CG 3.48Å; K202-K206 PolarHBondContact O-N 3.36Å; R203-K206 PolarHBondContact O-N 2.79Å; R203-K206 VanDerWaalsContact O-N 3.13Å; K204-K206 VanDerWaalsContact C-N 3.3Å; K204-K206 PolarHBondContact O-N 2.99Å; K206-L208 VanDerWaalsContact C-N 3.33Å |
| 207 | C | 60.3 | Low | 74.4 | Confident | 98 Ų | 98 | 135.6 Ų | 135.6 | 66% | 0.662 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -81.1 | -11.3 | 176.8 | -65.4 | 0 | 0 | 0 | 0 | 113.9 | R203 K204 | R203-C207 PolarHBondContact O-N 2.66Å; R203-C207 VanDerWaalsContact O-N 3.17Å; K204-C207 PolarHBondContact O-N 3.49Å |
| 208 | L | 62.6 | Low | 73.1 | Confident | 145 Ų | 145 | 135.3 Ų | 135.3 | 76% | 0.759 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -2.2 | 177.6 | -70.4 | 165.2 | 0 | 0 | 0 | 113 | K204 K205 K206 | K204-L208 WeakPolarHBondContact O-CG 3.24Å; K204-L208 PolarHBondContact O-N 3.38Å; K205-L208 PolarHBondContact O-N 3.4Å; K206-L208 VanDerWaalsContact C-N 3.33Å |
| 209 | I | 52.3 | Low | 71.8 | Confident | 143 Ų | 143 | 140.6 Ų | 140.6 | 73% | 0.733 | 67% | 0.666 | S | S | * | * | trans | -107.2 | 72.6 | 172.8 | -52.8 | 170.9 | 0 | 0 | 0 | 106.4 | ||||
| 210 | L | 41.6 | Very low | 70.3 | Confident | 228 Ų | 228 | 141.4 Ų | 141.4 | 100% | 1.194 | 68% | 0.681 | S | S | * | * | trans | -143.8 | 0 | 168.8 | -82.4 | 172.7 | 0 | 0 | 0 | 108 |
Retrieved 210 of 210 residues in 272.6 ms
(Link to these results)