| 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 | 33.9 | Very low | 43.1 | Very low | 250 Ų | 250 | 132 Ų | 132 | 100% | 1.232 | 78% | 0.781 | S | S | * | * | 0 | 93.2 | 0 | -104.8 | 173.2 | 163.2 | 0 | 0 | 107.8 | |||||
| 2 | Q | 25.7 | Very low | 46.8 | Very low | 197 Ų | 197 | 123.1 Ų | 123.1 | 92% | 0.921 | 73% | 0.725 | S | S | * | * | trans | -153 | 98.2 | 164.1 | -125.8 | 163.4 | -9.1 | 0 | 0 | 104.2 | S4 | Q2-S4 PolarHBondContact O-N 3.46Š| ||
| 3 | Q | 27.2 | Very low | 50 | Low | 193 Ų | 193 | 122.2 Ų | 122.2 | 90% | 0.902 | 72% | 0.715 | S | S | * | * | trans | -64.6 | 116.6 | 172.8 | -83.9 | 166.8 | -43.9 | 0 | 0 | 107.1 | D5 | Q3-D5 PolarHBondContact O-N 3.18Š| ||
| 4 | S | 29.6 | Very low | 52.9 | Low | 105 Ų | 105 | 114.3 Ų | 114.3 | 73% | 0.734 | 67% | 0.669 | S | S | * | * | trans | -66.9 | 107.6 | 158.8 | 49.1 | 0 | 0 | 0 | 0 | 107.4 | Q2 D6 | Q2-S4 PolarHBondContact O-N 3.46Å; S4-D6 VanDerWaalsContact C-N 3.27Å; S4-D6 PolarHBondContact O-N 3.42Å | ||
| 5 | D | 31.8 | Very low | 55.7 | Low | 167 Ų | 167 | 107.3 Ų | 107.3 | 89% | 0.893 | 63% | 0.628 | S | S | * | * | trans | -61.4 | 94.9 | 160.1 | -91.7 | -30.4 | 0 | 0 | 0 | 107.4 | Q3 S7 | Q3-D5 PolarHBondContact O-N 3.18Å; D5-S7 PolarHBondContact O-N 3.23Å | ||
| 6 | D | 35.4 | Very low | 58.2 | Low | 148 Ų | 148 | 100.6 Ų | 100.6 | 79% | 0.791 | 59% | 0.589 | S | S | * | * | trans | -78.7 | 107.6 | 172.1 | -139 | -0.5 | 0 | 0 | 0 | 107.3 | S4 G8 | S4-D6 VanDerWaalsContact C-N 3.27Å; S4-D6 PolarHBondContact O-N 3.42Å; D6-G8 PolarHBondContact O-N 3.01Å | ||
| 7 | S | 38.9 | Very low | 60.4 | Low | 93 Ų | 93 | 94.7 Ų | 94.7 | 65% | 0.65 | 55% | 0.554 | S | S | * | * | trans | -49.2 | 130.6 | 171.7 | 49.3 | 0 | 0 | 0 | 0 | 110.1 | D5 A9 | D5-S7 PolarHBondContact O-N 3.23Å; S7-A9 PolarHBondContact O-N 2.88Å | ||
| 8 | G | 51 | Low | 62.4 | Low | 90 Ų | 90 | 89.6 Ų | 89.6 | 93% | 0.928 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -66.6 | 43.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | D6 | D6-G8 PolarHBondContact O-N 3.01Š|
| 9 | A | 57.2 | Low | 64.1 | Low | 74 Ų | 74 | 86.3 Ų | 86.3 | 61% | 0.612 | 50% | 0.503 | S | S | * | . | trans | -83.5 | 140.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | S7 | S7-A9 PolarHBondContact O-N 2.88Š| ||
| 10 | P | 63.6 | Low | 65.5 | Low | 36 Ų | 36 | 82.2 Ų | 82.2 | 23% | 0.234 | 48% | 0.479 | C | S | . | . | trans | -63.3 | 151.3 | 177.4 | 28.7 | -35.5 | 0 | 0 | 0 | 111 | F12 P14 E50 L68 L477 | P10-F12 WeakPolarHBondContact CB-O 3.46Å; P10-F12 WeakPolarHBondContact CG-O 3.26Å; P10-F12 PolarHBondContact O-N 3.39Å; P10-P14 HydrophobicContact CG-CG 4.11Å; P10-E50 WeakPolarHBondContact CA-OE2 3.07Å; P10-L68 HydrophobicContact CB-CD1 4.5Å; P10-L477 HydrophobicContact CB-CD2 4.49Å; P10-L477 HydrophobicContact CG-CD2 3.64Å | ||
| 11 | S | 79.4 | Confident | 66.8 | Low | 99 Ų | 99 | 81.1 Ų | 81.1 | 69% | 0.692 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -70.6 | -11 | -178.7 | 74.8 | 0 | 0 | 0 | 0 | 113.6 | E50 | S11-E50 WeakPolarHBondContact CB-OE1 3.15Å; S11-E50 PolarHBondContact N-OE2 2.8Å; S11-E50 PolarHBondContact OG-OE1 2.88Å |
| 12 | F | 88.1 | Confident | 69.3 | Low | 25 Ų | 25 | 72.6 Ų | 72.6 | 11% | 0.11 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -142.4 | 167.3 | 178.3 | 62.6 | -92.8 | 0 | 0 | 0 | 110.6 | P10 P14 L48 E50 G70 | P10-F12 WeakPolarHBondContact CB-O 3.46Å; P10-F12 WeakPolarHBondContact CG-O 3.26Å; P10-F12 PolarHBondContact O-N 3.39Å; F12-P14 VanDerWaalsContact O-CD 3.23Å; F12-P14 WeakPolarHBondContact O-CD 3.28Å; F12-L48 HydrophobicContact CB-CD1 3.74Å; F12-L48 HydrophobicContact CD1-CB 3.68Å; F12-L48 HydrophobicContact CD1-CD1 4.06Å; F12-L48 HydrophobicContact CD1-CG 4.49Å; F12-L48 HydrophobicContact CD2-CB 4.25Å; F12-L48 HydrophobicContact CE1-CB 3.71Å; F12-L48 HydrophobicContact CE2-CB 4.32Å; F12-L48 HydrophobicContact CG-CB 3.96Å; F12-L48 HydrophobicContact CG-CD1 3.88Å; F12-L48 HydrophobicContact CZ-CB 4.05Å; F12-E50 HydrophobicContact CE1-CB 4.03Å; F12-E50 HydrophobicContact CE1-CG 3.73Å; F12-E50 HydrophobicContact CZ-CB 4.3Å; F12-E50 HydrophobicContact CZ-CG 4.48Å; F12-G70 VanDerWaalsContact CE2-CA 3.49Å |
| 13 | N | 87.6 | Confident | 72.2 | Confident | 112 Ų | 112 | 68.7 Ų | 68.7 | 60% | 0.599 | 42% | 0.421 | S | S | * | . | trans | -72.9 | 112.7 | 176.5 | -172 | 10.9 | 0 | 0 | 0 | 111.1 | ||||
| 14 | P | 91.4 | Very high | 75.2 | Confident | 11 Ų | 11 | 60 Ų | 60 | 7% | 0.071 | 38% | 0.381 | C | S | . | . | trans | -75.7 | 128.1 | -177.3 | 32.7 | -35.8 | 0 | 0 | 0 | 111 | P10 F12 L68 L170 L477 | P10-P14 HydrophobicContact CG-CG 4.11Å; F12-P14 VanDerWaalsContact O-CD 3.23Å; F12-P14 WeakPolarHBondContact O-CD 3.28Å; P14-L68 HydrophobicContact CB-CB 4.05Å; P14-L68 HydrophobicContact CB-CD1 4.07Å; P14-L68 HydrophobicContact CB-CD2 4.31Å; P14-L68 HydrophobicContact CB-CG 4.37Å; P14-L170 HydrophobicContact CB-CD1 4.05Å; P14-L170 HydrophobicContact CG-CD1 4.24Å; P14-L477 HydrophobicContact CG-CD1 4.06Å; P14-L477 HydrophobicContact CG-CD2 3.83Å | ||
| 15 | L | 94.2 | Very high | 78.2 | Confident | 10 Ų | 10 | 60.2 Ų | 60.2 | 5% | 0.052 | 37% | 0.369 | C | S | . | . | trans | -114.4 | -40.3 | -174.8 | -68.6 | 174 | 0 | 0 | 0 | 112.7 | V69 M118 C121 Q122 I125 L170 | L15-V69 PolarHBondContact N-O 2.93Å; L15-M118 HydrophobicContact CD2-CE 3.82Å; L15-M118 HydrophobicContact CD2-CG 3.99Å; L15-C121 HydrophobicContact CD1-CB 3.81Å; L15-Q122 HydrophobicContact CB-CG 4.03Å; L15-Q122 HydrophobicContact CD2-CG 4.42Å; L15-Q122 PolarHBondContact O-NE2 2.72Å; L15-I125 HydrophobicContact CB-CD1 3.7Å; L15-I125 HydrophobicContact CD1-CD1 3.46Å; L15-I125 VanDerWaalsContact CD1-CD1 3.46Å; L15-I125 HydrophobicContact CG-CD1 4.18Å; L15-L170 PolarHBondContact O-N 3.04Å | ||
| 16 | V | 96.7 | Very high | 81 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 145.6 | -176.7 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | V69 Q122 I125 L129 M167 F544 | V16-V69 HydrophobicContact CB-CB 4.33Å; V16-V69 PolarHBondContact N-O 3.45Å; V16-V69 VanDerWaalsContact N-O 3.08Å; V16-V69 PolarHBondContact O-N 2.96Å; V16-Q122 HydrophobicContact CG2-CB 4.45Å; V16-Q122 HydrophobicContact CG2-CG 4.39Å; V16-I125 HydrophobicContact CB-CG2 3.98Å; V16-I125 HydrophobicContact CG2-CB 4.05Å; V16-I125 HydrophobicContact CG2-CG2 3.65Å; V16-L129 HydrophobicContact CG1-CD1 4.47Å; V16-M167 HydrophobicContact CG1-CG 3.8Å; V16-F544 HydrophobicContact CG1-CE1 4.43Å; V16-F544 HydrophobicContact CG1-CZ 4.05Å; V16-F544 HydrophobicContact CG2-CE1 3.96Å; V16-F544 HydrophobicContact CG2-CZ 4.41Å |
| 17 | V | 95.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 135.8 | 176.1 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | L66 F67 L68 M167 F168 L170 V481 | V17-L66 HydrophobicContact CG1-CD2 3.91Å; V17-F67 CarbonylContact C-O 3.59Å; V17-F67 WeakPolarHBondContact CA-O 3.3Å; V17-L68 HydrophobicContact CG2-CD2 4.02Å; V17-M167 WeakPolarHBondContact O-CA 3.37Å; V17-F168 HydrophobicContact CB-CD1 4.34Å; V17-F168 HydrophobicContact CB-CD2 4.41Å; V17-F168 HydrophobicContact CB-CE1 3.89Å; V17-F168 HydrophobicContact CB-CE2 3.97Å; V17-F168 HydrophobicContact CB-CZ 3.69Å; V17-F168 HydrophobicContact CG1-CE1 3.91Å; V17-F168 HydrophobicContact CG1-CZ 3.79Å; V17-F168 HydrophobicContact CG2-CE2 3.94Å; V17-F168 HydrophobicContact CG2-CZ 4.01Å; V17-F168 PolarHBondContact N-O 3.12Å; V17-F168 PolarHBondContact O-N 3.03Å; V17-F168 VanDerWaalsContact O-N 3.12Å; V17-L170 HydrophobicContact CG2-CD1 3.95Å; V17-L170 HydrophobicContact CG2-CD2 3.64Å; V17-L170 HydrophobicContact CG2-CG 3.66Å; V17-V481 HydrophobicContact CG1-CG1 3.89Å; V17-V481 HydrophobicContact CG2-CG1 3.98Å; V17-V481 HydrophobicContact CG2-CG2 4.47Å |
| 18 | L | 95.4 | Very high | 86.3 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 124.3 | 168.5 | -60.7 | 175.4 | 0 | 0 | 0 | 109.1 | I36 F67 V69 L129 L164 M167 | L18-I36 HydrophobicContact CD1-CD1 3.8Å; L18-F67 HydrophobicContact CB-CB 4.33Å; L18-F67 PolarHBondContact N-O 3.21Å; L18-F67 PolarHBondContact O-N 2.98Å; L18-V69 HydrophobicContact CD1-CG2 3.67Å; L18-V69 HydrophobicContact CG-CG2 3.86Å; L18-L129 HydrophobicContact CD2-CD1 4.37Å; L18-L164 HydrophobicContact CB-CD1 4.1Å; L18-L164 HydrophobicContact CD2-CD1 4.18Å; L18-L164 HydrophobicContact CD2-CD2 4.42Å; L18-M167 HydrophobicContact CD2-CB 3.85Å; L18-M167 HydrophobicContact CD2-CG 3.65Å; L18-M167 HydrophobicContact CD2-SD 4.05Å |
| 19 | E | 94.3 | Very high | 88.3 | Confident | 27 Ų | 27 | 52.2 Ų | 52.2 | 13% | 0.126 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 111.3 | 174.9 | -173.6 | 179.7 | 179.7 | 0 | 0 | 110.3 | N63 L66 L164 I165 Q166 | E19-N63 PolarHBondContact OE1-ND2 3.37Å; E19-L66 HydrophobicContact CB-CD2 3.77Å; E19-L66 HydrophobicContact CG-CD2 3.73Å; E19-L66 HydrophobicContact CG-CG 4.48Å; E19-L164 WeakPolarHBondContact O-CD1 3.34Å; E19-I165 HydrophobicContact CG-CB 4.39Å; E19-I165 HydrophobicContact CG-CD1 4.26Å; E19-I165 WeakPolarHBondContact O-CB 3.42Å; E19-I165 PolarHBondContact O-N 3.47Å; E19-Q166 HydrophobicContact CB-CG 3.85Å; E19-Q166 PolarHBondContact N-O 2.85Å; E19-Q166 PolarHBondContact O-N 2.99Å; E19-Q166 WeakPolarHBondContact OE2-CG 3.35Å; E19-Q166 PolarHBondContact OE2-NE2 3.26Å |
| 20 | L | 93.4 | Very high | 90.1 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 158.9 | 172.6 | -56.7 | 174.2 | 0 | 0 | 0 | 110.2 | T24 I29 L32 N63 N65 F67 I163 L164 | L20-T24 HydrophobicContact CD1-CG2 4.35Å; L20-I29 HydrophobicContact CD1-CG1 3.93Å; L20-L32 HydrophobicContact CD1-CD2 4.27Å; L20-L32 HydrophobicContact CD2-CD2 4.09Å; L20-N63 PolarHBondContact O-ND2 2.96Å; L20-N65 HydrophobicContact CB-CB 3.97Å; L20-N65 PolarHBondContact N-O 2.89Å; L20-F67 HydrophobicContact CD1-CD2 4.13Å; L20-F67 HydrophobicContact CD1-CE2 3.61Å; L20-F67 HydrophobicContact CD1-CZ 4.46Å; L20-F67 HydrophobicContact CG-CD2 4.35Å; L20-F67 HydrophobicContact CG-CE2 4.14Å; L20-I163 WeakPolarHBondContact CA-O 3.49Å; L20-L164 HydrophobicContact CD2-CB 4.02Å; L20-L164 HydrophobicContact CD2-CD1 3.66Å; L20-L164 HydrophobicContact CD2-CG 4.46Å; L20-L164 HydrophobicContact CG-CD1 4.5Å |
| 21 | I | 92.5 | Very high | 91.5 | Very high | 59 Ų | 59 | 51.4 Ų | 51.4 | 30% | 0.303 | 28% | 0.278 | S | S | . | . | trans | -64.1 | 145.2 | 175.3 | -167.1 | 170.7 | 0 | 0 | 0 | 111.3 | D23 T24 N65 I163 I165 | I21-D23 WeakPolarHBondContact CD1-OD1 3.1Å; I21-D23 VanDerWaalsContact CG1-OD1 3.22Å; I21-D23 WeakPolarHBondContact CG1-OD1 3.31Å; I21-D23 WeakPolarHBondContact CG2-OD1 3.48Å; I21-D23 PolarHBondContact O-N 3.25Å; I21-D23 VanDerWaalsContact O-N 3.14Å; I21-T24 WeakPolarHBondContact CG2-OG1 3.31Å; I21-T24 PolarHBondContact N-OG1 2.82Å; I21-T24 WeakPolarHBondContact O-CB 3.26Å; I21-T24 PolarHBondContact O-N 3.49Å; I21-T24 PolarHBondContact O-OG1 3.04Å; I21-N65 PolarHBondContact O-ND2 2.97Å; I21-I163 PolarHBondContact N-O 2.85Å; I21-I165 HydrophobicContact CB-CD1 4.31Å; I21-I165 HydrophobicContact CB-CG1 4.34Å | ||
| 22 | S | 86.4 | Confident | 92.2 | Very high | 71 Ų | 71 | 47 Ų | 47 | 50% | 0.497 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -28.1 | -173.6 | -48.8 | 0 | 0 | 0 | 0 | 114 | T24 N63 N65 | S22-T24 VanDerWaalsContact C-N 3.32Å; S22-N63 WeakPolarHBondContact CA-OD1 3.46Å; S22-N63 PolarHBondContact OG-OD1 3.11Å; S22-N65 PolarHBondContact O-ND2 3.42Å |
| 23 | D | 87.3 | Confident | 92.5 | Very high | 115 Ų | 115 | 47.1 Ų | 47.1 | 62% | 0.615 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 15.2 | 179.7 | 70.5 | -21.8 | 0 | 0 | 0 | 113.3 | I21 K25 | I21-D23 WeakPolarHBondContact CD1-OD1 3.1Å; I21-D23 VanDerWaalsContact CG1-OD1 3.22Å; I21-D23 WeakPolarHBondContact CG1-OD1 3.31Å; I21-D23 WeakPolarHBondContact CG2-OD1 3.48Å; I21-D23 PolarHBondContact O-N 3.25Å; I21-D23 VanDerWaalsContact O-N 3.14Å; D23-K25 PolarHBondContact O-N 2.62Å |
| 24 | T | 88.8 | Confident | 92.8 | Very high | 10 Ų | 10 | 44.8 Ų | 44.8 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | trans | -62.1 | 127.8 | 179.3 | -55.1 | 0 | 0 | 0 | 0 | 110.9 | L20 I21 S22 A28 I29 Y143 I163 | L20-T24 HydrophobicContact CD1-CG2 4.35Å; I21-T24 WeakPolarHBondContact CG2-OG1 3.31Å; I21-T24 PolarHBondContact N-OG1 2.82Å; I21-T24 WeakPolarHBondContact O-CB 3.26Å; I21-T24 PolarHBondContact O-N 3.49Å; I21-T24 PolarHBondContact O-OG1 3.04Å; S22-T24 VanDerWaalsContact C-N 3.32Å; T24-A28 HydrophobicContact CG2-CB 4.14Å; T24-I29 HydrophobicContact CG2-CD1 4.24Å; T24-I29 HydrophobicContact CG2-CG1 3.7Å; T24-Y143 WeakPolarHBondContact CA-OH 3.44Å; T24-Y143 HydrophobicContact CG2-CE2 4.41Å; T24-I163 HydrophobicContact CG2-CG2 4Å | ||
| 25 | K | 92 | Very high | 93 | Very high | 110 Ų | 110 | 45.4 Ų | 45.4 | 48% | 0.478 | 24% | 0.241 | S | C | . | . | trans | -61.2 | 136 | 177.8 | -66.1 | 179.1 | 175.5 | -171.4 | 0 | 111.4 | D23 E27 A28 I29 G142 Y143 | D23-K25 PolarHBondContact O-N 2.62Å; K25-E27 PolarHBondContact O-N 3.12Å; K25-A28 HydrophobicContact CB-CB 4.5Å; K25-A28 WeakPolarHBondContact O-CB 3.27Å; K25-A28 PolarHBondContact O-N 3.3Å; K25-I29 PolarHBondContact O-N 3.21Å; K25-G142 VanDerWaalsContact CD-O 3.31Å; K25-G142 WeakPolarHBondContact CD-O 3.5Å; K25-G142 VanDerWaalsContact CE-O 3.31Å; K25-G142 WeakPolarHBondContact CE-O 3Å; K25-G142 PolarHBondContact NZ-O 2.82Å; K25-Y143 HydrophobicContact CB-CE2 4.39Å; K25-Y143 HydrophobicContact CD-CE2 4.49Å; K25-Y143 HydrophobicContact CG-CE2 4.41Å; K25-Y143 PolarHBondContact N-OH 3.28Å | ||
| 26 | E | 90.8 | Very high | 93 | Very high | 168 Ų | 168 | 45 Ų | 45 | 79% | 0.785 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -56.8 | -36.7 | -179.2 | -66.7 | -176.2 | 175.2 | 0 | 0 | 113 | A28 I29 A30 | E26-A28 VanDerWaalsContact C-N 3.31Å; E26-A28 PolarHBondContact O-N 3.42Å; E26-I29 PolarHBondContact O-N 2.97Å; E26-A30 WeakPolarHBondContact O-CB 3.36Å; E26-A30 PolarHBondContact O-N 2.98Å |
| 27 | E | 93.6 | Very high | 92.9 | Very high | 136 Ų | 136 | 51.6 Ų | 51.6 | 64% | 0.636 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -59.4 | -40.5 | 175.1 | -63.9 | 176.1 | -178.7 | 0 | 0 | 112.5 | K25 W31 P141 | K25-E27 PolarHBondContact O-N 3.12Å; E27-W31 VanDerWaalsContact O-CB 3.27Å; E27-W31 WeakPolarHBondContact O-CB 3.48Å; E27-W31 PolarHBondContact O-N 3.34Å; E27-P141 HydrophobicContact CB-CB 4.49Å |
| 28 | A | 92.7 | Very high | 92.9 | Very high | 5 Ų | 5 | 53.5 Ų | 53.5 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.1 | -39.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111 | T24 K25 E26 L32 V140 P141 Y143 | T24-A28 HydrophobicContact CG2-CB 4.14Å; K25-A28 HydrophobicContact CB-CB 4.5Å; K25-A28 WeakPolarHBondContact O-CB 3.27Å; K25-A28 PolarHBondContact O-N 3.3Å; E26-A28 VanDerWaalsContact C-N 3.31Å; E26-A28 PolarHBondContact O-N 3.42Å; A28-L32 WeakPolarHBondContact O-CB 3.31Å; A28-L32 PolarHBondContact O-N 3.48Å; A28-V140 HydrophobicContact CB-CG1 4.32Å; A28-P141 VanDerWaalsContact CB-O 3.31Å; A28-P141 WeakPolarHBondContact CB-O 3.38Å; A28-Y143 HydrophobicContact CB-CD2 4.19Å; A28-Y143 HydrophobicContact CB-CE2 3.9Å |
| 29 | I | 93.3 | Very high | 92.6 | Very high | 21 Ų | 21 | 57.1 Ų | 57.1 | 11% | 0.108 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.2 | -53.4 | 176 | -61.2 | 175.6 | 0 | 0 | 0 | 109.5 | L20 T24 K25 E26 W31 L32 L33 F67 | L20-I29 HydrophobicContact CD1-CG1 3.93Å; T24-I29 HydrophobicContact CG2-CD1 4.24Å; T24-I29 HydrophobicContact CG2-CG1 3.7Å; K25-I29 PolarHBondContact O-N 3.21Å; E26-I29 PolarHBondContact O-N 2.97Å; I29-W31 VanDerWaalsContact C-N 3.3Å; I29-W31 PolarHBondContact O-N 2.84Å; I29-L32 PolarHBondContact O-N 3.3Å; I29-L33 HydrophobicContact CG2-CD1 3.8Å; I29-L33 HydrophobicContact CG2-CG 4.19Å; I29-L33 WeakPolarHBondContact O-CB 3.26Å; I29-L33 VanDerWaalsContact O-CG 3.25Å; I29-L33 WeakPolarHBondContact O-CG 3.45Å; I29-L33 PolarHBondContact O-N 2.74Å; I29-F67 HydrophobicContact CD1-CZ 4.47Å; I29-F67 HydrophobicContact CG2-CE1 3.94Å; I29-F67 HydrophobicContact CG2-CE2 4.29Å; I29-F67 HydrophobicContact CG2-CZ 3.47Å; I29-F67 VanDerWaalsContact CG2-CZ 3.47Å |
| 30 | A | 94.2 | Very high | 92.2 | Very high | 59 Ų | 59 | 59.5 Ų | 59.5 | 49% | 0.488 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.8 | -42 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E26 S34 | E26-A30 WeakPolarHBondContact O-CB 3.36Å; E26-A30 PolarHBondContact O-N 2.98Å; A30-S34 VanDerWaalsContact O-CB 3.26Å; A30-S34 WeakPolarHBondContact O-CB 3.3Å; A30-S34 PolarHBondContact O-N 2.86Å |
| 31 | W | 94.7 | Very high | 91.7 | Very high | 35 Ų | 35 | 68.7 Ų | 68.7 | 13% | 0.133 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.6 | -48 | 174.7 | 170.5 | 79.5 | 0 | 0 | 0 | 112.5 | E27 I29 L33 S34 R35 E137 V140 P141 L148 I154 | E27-W31 VanDerWaalsContact O-CB 3.27Å; E27-W31 WeakPolarHBondContact O-CB 3.48Å; E27-W31 PolarHBondContact O-N 3.34Å; I29-W31 VanDerWaalsContact C-N 3.3Å; I29-W31 PolarHBondContact O-N 2.84Å; W31-L33 PolarHBondContact O-N 3.47Å; W31-S34 WeakPolarHBondContact O-CB 3.45Å; W31-S34 PolarHBondContact O-N 3.39Å; W31-R35 HydrophobicContact CD2-CG 4.45Å; W31-R35 HydrophobicContact CZ2-CG 4.33Å; W31-R35 WeakPolarHBondContact O-CG 3.47Å; W31-R35 PolarHBondContact O-N 2.97Å; W31-E137 HydrophobicContact CZ2-CG 4.12Å; W31-E137 PolarHBondContact NE1-OE1 3.21Å; W31-E137 VanDerWaalsContact NE1-OE1 3.12Å; W31-V140 HydrophobicContact CE3-CG1 4.32Å; W31-V140 HydrophobicContact CZ3-CG1 4.02Å; W31-V140 HydrophobicContact CZ3-CG2 4.41Å; W31-P141 HydrophobicContact CB-CB 4.45Å; W31-P141 HydrophobicContact CB-CG 3.84Å; W31-P141 HydrophobicContact CD2-CG 3.86Å; W31-P141 HydrophobicContact CE3-CG 4.41Å; W31-P141 HydrophobicContact CG-CG 3.58Å; W31-L148 HydrophobicContact CH2-CD1 3.78Å; W31-L148 HydrophobicContact CZ2-CD1 4.02Å; W31-I154 HydrophobicContact CH2-CB 4.49Å; W31-I154 HydrophobicContact CH2-CD1 3.87Å; W31-I154 HydrophobicContact CH2-CG1 4.17Å; W31-I154 HydrophobicContact CH2-CG2 3.56Å; W31-I154 HydrophobicContact CZ2-CD1 3.91Å; W31-I154 HydrophobicContact CZ3-CG2 3.86Å |
| 32 | L | 94.3 | Very high | 91.4 | Very high | 6 Ų | 6 | 68.9 Ų | 68.9 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 179.3 | 178.1 | 60.8 | 0 | 0 | 0 | 111.1 | L20 A28 I29 S34 R35 I36 I154 I155 L158 | L20-L32 HydrophobicContact CD1-CD2 4.27Å; L20-L32 HydrophobicContact CD2-CD2 4.09Å; A28-L32 WeakPolarHBondContact O-CB 3.31Å; A28-L32 PolarHBondContact O-N 3.48Å; I29-L32 PolarHBondContact O-N 3.3Å; L32-S34 VanDerWaalsContact C-N 3.3Å; L32-S34 PolarHBondContact O-N 3.21Å; L32-R35 PolarHBondContact O-N 3.29Å; L32-I36 HydrophobicContact CD1-CD1 3.99Å; L32-I36 HydrophobicContact CD1-CG1 4.29Å; L32-I36 HydrophobicContact CG-CD1 3.9Å; L32-I36 VanDerWaalsContact O-CG1 3.3Å; L32-I36 WeakPolarHBondContact O-CG1 3.35Å; L32-I36 PolarHBondContact O-N 3.14Å; L32-I154 HydrophobicContact CD1-CG2 4.23Å; L32-I155 HydrophobicContact CD1-CD1 4.47Å; L32-L158 HydrophobicContact CD1-CD1 3.82Å; L32-L158 HydrophobicContact CD2-CD1 3.84Å; L32-L158 HydrophobicContact CG-CD1 4.41Å |
| 33 | L | 94.1 | Very high | 91.2 | Very high | 27 Ų | 27 | 66.2 Ų | 66.2 | 14% | 0.141 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 177.7 | -66.5 | -179.3 | 0 | 0 | 0 | 111.7 | I29 W31 I36 R37 V49 F67 | I29-L33 HydrophobicContact CG2-CD1 3.8Å; I29-L33 HydrophobicContact CG2-CG 4.19Å; I29-L33 WeakPolarHBondContact O-CB 3.26Å; I29-L33 VanDerWaalsContact O-CG 3.25Å; I29-L33 WeakPolarHBondContact O-CG 3.45Å; I29-L33 PolarHBondContact O-N 2.74Å; W31-L33 PolarHBondContact O-N 3.47Å; L33-I36 PolarHBondContact O-N 2.9Å; L33-R37 WeakPolarHBondContact O-CB 3.39Å; L33-R37 VanDerWaalsContact O-CG 3.3Å; L33-R37 WeakPolarHBondContact O-CG 3.36Å; L33-R37 PolarHBondContact O-N 3.12Å; L33-V49 HydrophobicContact CD2-CB 4.06Å; L33-V49 HydrophobicContact CD2-CG1 3.36Å; L33-F67 HydrophobicContact CD1-CD1 4.25Å; L33-F67 HydrophobicContact CD1-CE1 3.9Å; L33-F67 HydrophobicContact CD2-CD1 3.85Å; L33-F67 HydrophobicContact CD2-CE1 4.25Å; L33-F67 HydrophobicContact CD2-CG 4.33Å |
| 34 | S | 94.1 | Very high | 91.2 | Very high | 63 Ų | 63 | 61.1 Ų | 61.1 | 44% | 0.441 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.8 | -51 | 173.5 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | A30 W31 L32 I36 R37 T38 | A30-S34 VanDerWaalsContact O-CB 3.26Å; A30-S34 WeakPolarHBondContact O-CB 3.3Å; A30-S34 PolarHBondContact O-N 2.86Å; W31-S34 WeakPolarHBondContact O-CB 3.45Å; W31-S34 PolarHBondContact O-N 3.39Å; L32-S34 VanDerWaalsContact C-N 3.3Å; L32-S34 PolarHBondContact O-N 3.21Å; S34-I36 VanDerWaalsContact C-N 3.28Å; S34-I36 PolarHBondContact O-N 2.95Å; S34-R37 PolarHBondContact O-N 3.36Å; S34-R37 VanDerWaalsContact O-N 3.16Å; S34-T38 WeakPolarHBondContact O-CB 3.23Å; S34-T38 PolarHBondContact O-N 3.21Å; S34-T38 PolarHBondContact O-OG1 3.23Å |
| 35 | R | 94.3 | Very high | 91.3 | Very high | 25 Ų | 25 | 60.7 Ų | 60.7 | 9% | 0.094 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.9 | -34.2 | 179.3 | -68.9 | -60.1 | -56.6 | -105.4 | -2.6 | 113.3 | W31 L32 G43 G44 A45 L132 R133 E137 I154 | W31-R35 HydrophobicContact CD2-CG 4.45Å; W31-R35 HydrophobicContact CZ2-CG 4.33Å; W31-R35 WeakPolarHBondContact O-CG 3.47Å; W31-R35 PolarHBondContact O-N 2.97Å; L32-R35 PolarHBondContact O-N 3.29Å; R35-G43 PolarHBondContact NH2-O 2.86Å; R35-G44 WeakPolarHBondContact O-CA 3.36Å; R35-A45 PolarHBondContact O-N 3.36Å; R35-L132 HydrophobicContact CB-CD2 4.1Å; R35-R133 PolarHBondContact NH2-O 3.03Å; R35-E137 IonicContact CZ-OE1 2.79Å; R35-E137 IonicContact NH1-OE1 3.38Å; R35-E137 PolarHBondContact NH1-OE1 2.89Å; R35-E137 IonicContact NH1-OE2 3.88Å; R35-E137 PolarHBondContact NH1-OE2 3.25Å; R35-I154 HydrophobicContact CG-CD1 4.5Å |
| 36 | I | 95 | Very high | 91.4 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -72.1 | -40.5 | 177.2 | -62.8 | 166.6 | 0 | 0 | 0 | 111.1 | L18 L32 L33 S34 G46 L47 V49 L129 L132 | L18-I36 HydrophobicContact CD1-CD1 3.8Å; L32-I36 HydrophobicContact CD1-CD1 3.99Å; L32-I36 HydrophobicContact CD1-CG1 4.29Å; L32-I36 HydrophobicContact CG-CD1 3.9Å; L32-I36 VanDerWaalsContact O-CG1 3.3Å; L32-I36 WeakPolarHBondContact O-CG1 3.35Å; L32-I36 PolarHBondContact O-N 3.14Å; L33-I36 PolarHBondContact O-N 2.9Å; S34-I36 VanDerWaalsContact C-N 3.28Å; S34-I36 PolarHBondContact O-N 2.95Å; I36-G46 PolarHBondContact O-N 3.32Å; I36-G46 VanDerWaalsContact O-N 3.09Å; I36-L47 HydrophobicContact CG2-CB 3.7Å; I36-L47 HydrophobicContact CG2-CD1 4.17Å; I36-L47 HydrophobicContact CG2-CG 4.44Å; I36-L47 PolarHBondContact O-N 2.89Å; I36-V49 HydrophobicContact CB-CG2 3.9Å; I36-V49 HydrophobicContact CD1-CG2 4.37Å; I36-V49 HydrophobicContact CG2-CG2 3.23Å; I36-L129 HydrophobicContact CD1-CD2 4.07Å; I36-L129 HydrophobicContact CG1-CD2 3.94Å; I36-L129 HydrophobicContact CG2-CD2 4.11Å; I36-L132 HydrophobicContact CG1-CD2 4.5Å |
| 37 | R | 95.2 | Very high | 91.6 | Very high | 139 Ų | 139 | 48.8 Ų | 48.8 | 53% | 0.525 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -76.2 | -32 | -179.1 | -70.1 | 173.5 | -179.9 | 178.1 | -0.8 | 114 | L33 S34 L47 V49 | L33-R37 WeakPolarHBondContact O-CB 3.39Å; L33-R37 VanDerWaalsContact O-CG 3.3Å; L33-R37 WeakPolarHBondContact O-CG 3.36Å; L33-R37 PolarHBondContact O-N 3.12Å; S34-R37 PolarHBondContact O-N 3.36Å; S34-R37 VanDerWaalsContact O-N 3.16Å; R37-L47 WeakPolarHBondContact CA-O 3.13Å; R37-V49 PolarHBondContact NE-O 3.41Å; R37-V49 PolarHBondContact NH2-O 2.93Å |
| 38 | T | 93.9 | Very high | 91.6 | Very high | 40 Ų | 40 | 45.7 Ų | 45.7 | 25% | 0.245 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -57.7 | 137.9 | -178.9 | -65.3 | 0 | 0 | 0 | 0 | 110.9 | S34 A42 G44 A45 G46 | S34-T38 WeakPolarHBondContact O-CB 3.23Å; S34-T38 PolarHBondContact O-N 3.21Å; S34-T38 PolarHBondContact O-OG1 3.23Å; T38-A42 HydrophobicContact CG2-CB 3.5Å; T38-G44 CarbonylContact O-C 3.58Å; T38-G44 WeakPolarHBondContact O-CA 3.24Å; T38-A45 PolarHBondContact O-N 2.75Å; T38-A45 VanDerWaalsContact O-N 3.13Å; T38-G46 WeakPolarHBondContact O-CA 3.11Å; T38-G46 PolarHBondContact O-N 3.44Å |
| 39 | P | 90.2 | Very high | 91.7 | Very high | 80 Ų | 80 | 45.7 Ų | 45.7 | 52% | 0.519 | 26% | 0.258 | S | S | . | . | trans | -59.8 | 153 | 178.1 | -24.9 | 34.2 | 0 | 0 | 0 | 113.7 | Q41 A42 G43 G44 | P39-Q41 PolarHBondContact O-N 2.82Å; P39-A42 PolarHBondContact O-N 2.81Å; P39-G43 PolarHBondContact O-N 2.79Å; P39-G44 PolarHBondContact O-N 3.3Å; P39-G44 VanDerWaalsContact O-N 3.1Å | ||
| 40 | Q | 85.1 | Confident | 91.6 | Very high | 76 Ų | 76 | 47.4 Ų | 47.4 | 36% | 0.355 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -54.9 | -38.2 | 177.1 | -83 | -179.6 | -29.5 | 0 | 0 | 112.9 | A42 G43 G44 R75 D82 E128 | Q40-A42 PolarHBondContact O-N 3.06Å; Q40-G43 WeakPolarHBondContact O-CA 3.32Å; Q40-G43 PolarHBondContact O-N 3.1Å; Q40-G44 WeakPolarHBondContact CA-O 3.4Å; Q40-R75 VanDerWaalsContact CD-NH2 3.29Å; Q40-D82 PolarHBondContact NE2-OD2 3.42Å; Q40-E128 PolarHBondContact NE2-OE1 2.73Å; Q40-E128 PolarHBondContact NE2-OE2 3.42Å |
| 41 | Q | 84 | Confident | 91.3 | Very high | 198 Ų | 198 | 50 Ų | 50 | 93% | 0.925 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -58.6 | -33.1 | 177.9 | -64.7 | 177 | -1.4 | 0 | 0 | 112.9 | P39 | P39-Q41 PolarHBondContact O-N 2.82Š|
| 42 | A | 85.9 | Confident | 90.8 | Very high | 63 Ų | 63 | 49.3 Ų | 49.3 | 52% | 0.521 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -89.7 | -1.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T38 P39 Q40 K135 | T38-A42 HydrophobicContact CG2-CB 3.5Å; P39-A42 PolarHBondContact O-N 2.81Å; Q40-A42 PolarHBondContact O-N 3.06Å; A42-K135 PolarHBondContact O-NZ 2.88Å |
| 43 | G | 81.6 | Confident | 89.7 | Confident | 14 Ų | 14 | 51 Ų | 51 | 14% | 0.144 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | 19.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | R35 P39 Q40 K135 | R35-G43 PolarHBondContact NH2-O 2.86Å; P39-G43 PolarHBondContact O-N 2.79Å; Q40-G43 WeakPolarHBondContact O-CA 3.32Å; Q40-G43 PolarHBondContact O-N 3.1Å; G43-K135 VanDerWaalsContact CA-NZ 3.27Å |
| 44 | G | 88.6 | Confident | 88 | Confident | 8 Ų | 8 | 54.1 Ų | 54.1 | 8% | 0.082 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -98.3 | -165.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R35 T38 P39 Q40 | R35-G44 WeakPolarHBondContact O-CA 3.36Å; T38-G44 CarbonylContact O-C 3.58Å; T38-G44 WeakPolarHBondContact O-CA 3.24Å; P39-G44 PolarHBondContact O-N 3.3Å; P39-G44 VanDerWaalsContact O-N 3.1Å; Q40-G44 WeakPolarHBondContact CA-O 3.4Å |
| 45 | A | 90.1 | Very high | 86.3 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.008 | 30% | 0.304 | C | S | . | . | trans | -99.9 | -18 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R35 T38 L47 R75 E128 L132 | R35-A45 PolarHBondContact O-N 3.36Å; T38-A45 PolarHBondContact O-N 2.75Å; T38-A45 VanDerWaalsContact O-N 3.13Å; A45-L47 VanDerWaalsContact C-N 3.29Å; A45-L47 HydrophobicContact CB-CD1 3.81Å; A45-L47 HydrophobicContact CB-CG 3.82Å; A45-L47 PolarHBondContact O-N 3.21Å; A45-R75 PolarHBondContact O-NE 3.02Å; A45-R75 PolarHBondContact O-NH2 3.28Å; A45-E128 HydrophobicContact CB-CB 4.5Å; A45-L132 HydrophobicContact CB-CD1 4.34Å | ||
| 46 | G | 93.1 | Very high | 84.1 | Confident | 23 Ų | 23 | 57.4 Ų | 57.4 | 24% | 0.237 | 33% | 0.334 | C | S | . | . | trans | 63.9 | 31.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I36 T38 | I36-G46 PolarHBondContact O-N 3.32Å; I36-G46 VanDerWaalsContact O-N 3.09Å; T38-G46 WeakPolarHBondContact O-CA 3.11Å; T38-G46 PolarHBondContact O-N 3.44Å | ||
| 47 | L | 95.4 | Very high | 82 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | trans | -100.1 | 158.5 | -178.1 | -60.3 | 173.3 | 0 | 0 | 0 | 111.2 | I36 R37 A45 V69 A71 R75 I125 E128 L129 | I36-L47 HydrophobicContact CG2-CB 3.7Å; I36-L47 HydrophobicContact CG2-CD1 4.17Å; I36-L47 HydrophobicContact CG2-CG 4.44Å; I36-L47 PolarHBondContact O-N 2.89Å; R37-L47 WeakPolarHBondContact CA-O 3.13Å; A45-L47 VanDerWaalsContact C-N 3.29Å; A45-L47 HydrophobicContact CB-CD1 3.81Å; A45-L47 HydrophobicContact CB-CG 3.82Å; A45-L47 PolarHBondContact O-N 3.21Å; L47-V69 HydrophobicContact CB-CG1 4.19Å; L47-V69 HydrophobicContact CD1-CG1 4.05Å; L47-A71 HydrophobicContact CD2-CB 3.84Å; L47-R75 HydrophobicContact CD2-CG 4.42Å; L47-I125 HydrophobicContact CD1-CG2 4.19Å; L47-I125 HydrophobicContact CD2-CG1 4.24Å; L47-E128 HydrophobicContact CD1-CB 4.23Å; L47-L129 HydrophobicContact CD1-CD2 3.91Å; L47-L129 HydrophobicContact CD1-CG 3.96Å | ||
| 48 | L | 94.8 | Very high | 79.7 | Confident | 72 Ų | 72 | 56 Ų | 56 | 38% | 0.377 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 133.5 | 175.4 | -57.2 | 176.1 | 0 | 0 | 0 | 109.1 | F12 V69 G70 | F12-L48 HydrophobicContact CB-CD1 3.74Å; F12-L48 HydrophobicContact CD1-CB 3.68Å; F12-L48 HydrophobicContact CD1-CD1 4.06Å; F12-L48 HydrophobicContact CD1-CG 4.49Å; F12-L48 HydrophobicContact CD2-CB 4.25Å; F12-L48 HydrophobicContact CE1-CB 3.71Å; F12-L48 HydrophobicContact CE2-CB 4.32Å; F12-L48 HydrophobicContact CG-CB 3.96Å; F12-L48 HydrophobicContact CG-CD1 3.88Å; F12-L48 HydrophobicContact CZ-CB 4.05Å; L48-V69 WeakPolarHBondContact O-CA 3.3Å; L48-G70 PolarHBondContact N-O 3.28Å; L48-G70 PolarHBondContact O-N 3.27Å |
| 49 | V | 93.9 | Very high | 77.6 | Confident | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.024 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 131.3 | 179.7 | -169.2 | 0 | 0 | 0 | 0 | 111 | L33 I36 R37 F67 L68 V69 | L33-V49 HydrophobicContact CD2-CB 4.06Å; L33-V49 HydrophobicContact CD2-CG1 3.36Å; I36-V49 HydrophobicContact CB-CG2 3.9Å; I36-V49 HydrophobicContact CD1-CG2 4.37Å; I36-V49 HydrophobicContact CG2-CG2 3.23Å; R37-V49 PolarHBondContact NE-O 3.41Å; R37-V49 PolarHBondContact NH2-O 2.93Å; V49-F67 HydrophobicContact CG1-CB 4.01Å; V49-L68 VanDerWaalsContact CA-O 3.27Å; V49-L68 WeakPolarHBondContact CA-O 3.44Å; V49-L68 WeakPolarHBondContact CG1-O 3.43Å; V49-V69 HydrophobicContact CG1-CG2 4.23Å; V49-V69 HydrophobicContact CG2-CG1 4.3Å; V49-V69 HydrophobicContact CG2-CG2 4.15Å |
| 50 | E | 91 | Very high | 75.6 | Confident | 58 Ų | 58 | 65 Ų | 65 | 27% | 0.271 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 143.9 | 175.5 | -83.9 | 172.5 | -173.3 | 0 | 0 | 110.7 | P10 S11 F12 F67 L68 | P10-E50 WeakPolarHBondContact CA-OE2 3.07Å; S11-E50 WeakPolarHBondContact CB-OE1 3.15Å; S11-E50 PolarHBondContact N-OE2 2.8Å; S11-E50 PolarHBondContact OG-OE1 2.88Å; F12-E50 HydrophobicContact CE1-CB 4.03Å; F12-E50 HydrophobicContact CE1-CG 3.73Å; F12-E50 HydrophobicContact CZ-CB 4.3Å; F12-E50 HydrophobicContact CZ-CG 4.48Å; E50-F67 CarbonylContact O-C 3.38Å; E50-F67 WeakPolarHBondContact O-CA 3.43Å; E50-L68 PolarHBondContact N-O 3.18Å; E50-L68 PolarHBondContact O-N 3.41Å |
| 51 | Q | 88.8 | Confident | 74 | Confident | 112 Ų | 112 | 70.7 Ų | 70.7 | 52% | 0.523 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 137.3 | 170 | -171.4 | 173.1 | 10.4 | 0 | 0 | 109 | G53 P64 F67 | Q51-G53 PolarHBondContact O-N 3.13Å; Q51-P64 PolarHBondContact NE2-O 3.34Å; Q51-F67 HydrophobicContact CB-CD1 3.9Å; Q51-F67 HydrophobicContact CB-CE1 3.78Å; Q51-F67 HydrophobicContact CG-CD1 4.14Å; Q51-F67 HydrophobicContact CG-CE1 3.77Å; Q51-F67 HydrophobicContact CG-CZ 4.35Å |
| 52 | L | 84.1 | Confident | 73.2 | Confident | 22 Ų | 22 | 64.6 Ų | 64.6 | 12% | 0.115 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 122.5 | 176.4 | -172.8 | 70.1 | 0 | 0 | 0 | 109.7 | L66 L68 A478 V481 | L52-L66 HydrophobicContact CB-CB 4.01Å; L52-L66 WeakPolarHBondContact CB-O 3.43Å; L52-L66 HydrophobicContact CD2-CB 4.12Å; L52-L66 HydrophobicContact CD2-CD1 4.01Å; L52-L66 PolarHBondContact N-O 2.89Å; L52-L68 HydrophobicContact CD1-CD1 3.84Å; L52-L68 HydrophobicContact CD1-CD2 4.29Å; L52-L68 HydrophobicContact CD1-CG 4.2Å; L52-A478 HydrophobicContact CD1-CB 3.95Å; L52-A478 HydrophobicContact CD2-CB 4.16Å; L52-A478 HydrophobicContact CG-CB 4.12Å; L52-V481 HydrophobicContact CD1-CG2 4.38Å; L52-V481 HydrophobicContact CD2-CB 4.05Å; L52-V481 HydrophobicContact CD2-CG1 3.91Å |
| 53 | G | 69.8 | Low | 72.6 | Confident | 40 Ų | 40 | 62.6 Ų | 62.6 | 41% | 0.412 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 160.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q51 G55 | Q51-G53 PolarHBondContact O-N 3.13Å; G53-G55 PolarHBondContact O-N 2.87Å |
| 54 | P | 59.8 | Low | 72.4 | Confident | 94 Ų | 94 | 65.4 Ų | 65.4 | 61% | 0.61 | 38% | 0.375 | S | S | * | . | trans | -59.1 | -9.5 | -172.9 | 18 | -28.9 | 0 | 0 | 0 | 115.4 | A58 R482 | P54-A58 HydrophobicContact CB-CB 3.89Å; P54-A58 WeakPolarHBondContact O-CB 3.46Å; P54-A58 PolarHBondContact O-N 3.22Å; P54-R482 PolarHBondContact O-NH2 2.84Å | ||
| 55 | G | 57.1 | Low | 72.4 | Confident | 35 Ų | 35 | 65.7 Ų | 65.7 | 36% | 0.361 | 38% | 0.375 | S | S | . | . | trans | 67 | 171.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | G53 S57 | G53-G55 PolarHBondContact O-N 2.87Å; G55-S57 PolarHBondContact O-N 3.28Å | ||
| 56 | V | 49.3 | Very low | 72.5 | Confident | 121 Ų | 121 | 65.9 Ų | 65.9 | 73% | 0.733 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -5.1 | -179.1 | -172.2 | 0 | 0 | 0 | 0 | 112.3 | P476 | V56-P476 HydrophobicContact CG2-CG 4.25Š|
| 57 | S | 51.3 | Low | 72.5 | Confident | 48 Ų | 48 | 65 Ų | 65 | 34% | 0.336 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -156.6 | 70.9 | -177.5 | -72.1 | 0 | 0 | 0 | 0 | 111.7 | G55 E59 | G55-S57 PolarHBondContact O-N 3.28Å; S57-E59 PolarHBondContact O-N 2.83Å |
| 58 | A | 45.1 | Very low | 72.5 | Confident | 63 Ų | 63 | 65 Ų | 65 | 52% | 0.521 | 37% | 0.365 | S | S | . | . | trans | -66 | 99 | 162 | 0 | 0 | 0 | 0 | 0 | 109.1 | P54 | P54-A58 HydrophobicContact CB-CB 3.89Å; P54-A58 WeakPolarHBondContact O-CB 3.46Å; P54-A58 PolarHBondContact O-N 3.22Å | ||
| 59 | E | 51.1 | Low | 72.5 | Confident | 99 Ų | 99 | 61.6 Ų | 61.6 | 46% | 0.463 | 35% | 0.347 | S | S | . | . | trans | -73.7 | 141.7 | 159.9 | -72.3 | 176.7 | -160.9 | 0 | 0 | 107.4 | S57 K61 D62 K467 | S57-E59 PolarHBondContact O-N 2.83Å; E59-K61 PolarHBondContact O-N 3.01Å; E59-D62 PolarHBondContact O-N 3.23Å; E59-K467 IonicContact OE1-NZ 3.43Å; E59-K467 PolarHBondContact OE1-NZ 3.46Å | ||
| 60 | H | 46.8 | Very low | 72.6 | Confident | 210 Ų | 210 | 61.4 Ų | 61.4 | 97% | 0.972 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 2.5 | -179.2 | -77.8 | -62.2 | 0 | 0 | 0 | 115.6 | ||
| 61 | K | 52.9 | Low | 72.7 | Confident | 195 Ų | 195 | 59.4 Ų | 59.4 | 85% | 0.848 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | -8.7 | -178.5 | -73.4 | -173.6 | 175.2 | -176.1 | 0 | 114.6 | E59 | E59-K61 PolarHBondContact O-N 3.01Š|
| 62 | D | 65.9 | Low | 72.9 | Confident | 69 Ų | 69 | 56.9 Ų | 56.9 | 37% | 0.369 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -84.9 | 139.2 | -176.3 | -66.8 | -14 | 0 | 0 | 0 | 110.9 | E59 P64 R482 | E59-D62 PolarHBondContact O-N 3.23Å; D62-P64 WeakPolarHBondContact O-CD 3.44Å; D62-R482 IonicContact OD2-CZ 3.72Å; D62-R482 IonicContact OD2-NH1 3.84Å; D62-R482 PolarHBondContact OD2-NH1 3.41Å |
| 63 | N | 74.6 | Confident | 73.2 | Confident | 22 Ų | 22 | 58.4 Ų | 58.4 | 12% | 0.118 | 34% | 0.339 | C | S | . | . | trans | -61.9 | 119 | 179.2 | -177.2 | 2.4 | 0 | 0 | 0 | 110.3 | E19 L20 S22 N65 | E19-N63 PolarHBondContact OE1-ND2 3.37Å; L20-N63 PolarHBondContact O-ND2 2.96Å; S22-N63 WeakPolarHBondContact CA-OD1 3.46Å; S22-N63 PolarHBondContact OG-OD1 3.11Å; N63-N65 VanDerWaalsContact C-N 3.26Å; N63-N65 PolarHBondContact O-N 3.37Å; N63-N65 PolarHBondContact OD1-N 3.05Å | ||
| 64 | P | 78 | Confident | 74.1 | Confident | 73 Ų | 73 | 64.1 Ų | 64.1 | 47% | 0.474 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -76.4 | -12.5 | -178.9 | 31.3 | -35.2 | 0 | 0 | 0 | 113.3 | Q51 D62 L66 | Q51-P64 PolarHBondContact NE2-O 3.34Å; D62-P64 WeakPolarHBondContact O-CD 3.44Å; P64-L66 PolarHBondContact O-N 3.49Å |
| 65 | N | 88.3 | Confident | 75.6 | Confident | 13 Ų | 13 | 60.8 Ų | 60.8 | 7% | 0.07 | 33% | 0.33 | C | S | . | . | trans | -97.3 | 53.4 | -168.3 | -61.5 | -22.8 | 0 | 0 | 0 | 112.7 | L20 I21 S22 N63 F67 | L20-N65 HydrophobicContact CB-CB 3.97Å; L20-N65 PolarHBondContact N-O 2.89Å; I21-N65 PolarHBondContact O-ND2 2.97Å; S22-N65 PolarHBondContact O-ND2 3.42Å; N63-N65 VanDerWaalsContact C-N 3.26Å; N63-N65 PolarHBondContact O-N 3.37Å; N63-N65 PolarHBondContact OD1-N 3.05Å; N65-F67 HydrophobicContact CB-CE2 4.1Å | ||
| 66 | L | 90.9 | Very high | 77.4 | Confident | 6 Ų | 6 | 59.5 Ų | 59.5 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 124.5 | 172 | -74.3 | 161.9 | 0 | 0 | 0 | 109.8 | V17 E19 L52 P64 V481 R482 | V17-L66 HydrophobicContact CG1-CD2 3.91Å; E19-L66 HydrophobicContact CB-CD2 3.77Å; E19-L66 HydrophobicContact CG-CD2 3.73Å; E19-L66 HydrophobicContact CG-CG 4.48Å; L52-L66 HydrophobicContact CB-CB 4.01Å; L52-L66 WeakPolarHBondContact CB-O 3.43Å; L52-L66 HydrophobicContact CD2-CB 4.12Å; L52-L66 HydrophobicContact CD2-CD1 4.01Å; L52-L66 PolarHBondContact N-O 2.89Å; P64-L66 PolarHBondContact O-N 3.49Å; L66-V481 HydrophobicContact CD2-CG1 4.48Å; L66-R482 HydrophobicContact CD1-CG 4.08Å |
| 67 | F | 93.6 | Very high | 79.5 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 132.6 | -179.1 | -57.9 | -87.4 | 0 | 0 | 0 | 110.7 | V17 L18 L20 I29 L33 V49 E50 Q51 N65 | V17-F67 CarbonylContact C-O 3.59Å; V17-F67 WeakPolarHBondContact CA-O 3.3Å; L18-F67 HydrophobicContact CB-CB 4.33Å; L18-F67 PolarHBondContact N-O 3.21Å; L18-F67 PolarHBondContact O-N 2.98Å; L20-F67 HydrophobicContact CD1-CD2 4.13Å; L20-F67 HydrophobicContact CD1-CE2 3.61Å; L20-F67 HydrophobicContact CD1-CZ 4.46Å; L20-F67 HydrophobicContact CG-CD2 4.35Å; L20-F67 HydrophobicContact CG-CE2 4.14Å; I29-F67 HydrophobicContact CD1-CZ 4.47Å; I29-F67 HydrophobicContact CG2-CE1 3.94Å; I29-F67 HydrophobicContact CG2-CE2 4.29Å; I29-F67 HydrophobicContact CG2-CZ 3.47Å; I29-F67 VanDerWaalsContact CG2-CZ 3.47Å; L33-F67 HydrophobicContact CD1-CD1 4.25Å; L33-F67 HydrophobicContact CD1-CE1 3.9Å; L33-F67 HydrophobicContact CD2-CD1 3.85Å; L33-F67 HydrophobicContact CD2-CE1 4.25Å; L33-F67 HydrophobicContact CD2-CG 4.33Å; V49-F67 HydrophobicContact CG1-CB 4.01Å; E50-F67 CarbonylContact O-C 3.38Å; E50-F67 WeakPolarHBondContact O-CA 3.43Å; Q51-F67 HydrophobicContact CB-CD1 3.9Å; Q51-F67 HydrophobicContact CB-CE1 3.78Å; Q51-F67 HydrophobicContact CG-CD1 4.14Å; Q51-F67 HydrophobicContact CG-CE1 3.77Å; Q51-F67 HydrophobicContact CG-CZ 4.35Å; N65-F67 HydrophobicContact CB-CE2 4.1Å |
| 68 | L | 94.8 | Very high | 81.4 | Confident | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 132 | 175.1 | -56.9 | 179.5 | 0 | 0 | 0 | 108.9 | P10 P14 V17 V49 E50 L52 L170 L477 V481 | P10-L68 HydrophobicContact CB-CD1 4.5Å; P14-L68 HydrophobicContact CB-CB 4.05Å; P14-L68 HydrophobicContact CB-CD1 4.07Å; P14-L68 HydrophobicContact CB-CD2 4.31Å; P14-L68 HydrophobicContact CB-CG 4.37Å; V17-L68 HydrophobicContact CG2-CD2 4.02Å; V49-L68 VanDerWaalsContact CA-O 3.27Å; V49-L68 WeakPolarHBondContact CA-O 3.44Å; V49-L68 WeakPolarHBondContact CG1-O 3.43Å; E50-L68 PolarHBondContact N-O 3.18Å; E50-L68 PolarHBondContact O-N 3.41Å; L52-L68 HydrophobicContact CD1-CD1 3.84Å; L52-L68 HydrophobicContact CD1-CD2 4.29Å; L52-L68 HydrophobicContact CD1-CG 4.2Å; L68-L170 HydrophobicContact CD2-CD1 4.49Å; L68-L477 HydrophobicContact CD1-CD2 3.92Å; L68-V481 HydrophobicContact CD2-CG1 4.45Å; L68-V481 HydrophobicContact CD2-CG2 3.86Å |
| 69 | V | 96.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 135.2 | 179.1 | -173.7 | 0 | 0 | 0 | 0 | 109.7 | L15 V16 L18 L47 L48 V49 I125 L129 | L15-V69 PolarHBondContact N-O 2.93Å; V16-V69 HydrophobicContact CB-CB 4.33Å; V16-V69 PolarHBondContact N-O 3.45Å; V16-V69 VanDerWaalsContact N-O 3.08Å; V16-V69 PolarHBondContact O-N 2.96Å; L18-V69 HydrophobicContact CD1-CG2 3.67Å; L18-V69 HydrophobicContact CG-CG2 3.86Å; L47-V69 HydrophobicContact CB-CG1 4.19Å; L47-V69 HydrophobicContact CD1-CG1 4.05Å; L48-V69 WeakPolarHBondContact O-CA 3.3Å; V49-V69 HydrophobicContact CG1-CG2 4.23Å; V49-V69 HydrophobicContact CG2-CG1 4.3Å; V49-V69 HydrophobicContact CG2-CG2 4.15Å; V69-I125 HydrophobicContact CB-CG2 4.48Å; V69-I125 HydrophobicContact CG1-CG2 3.79Å; V69-L129 HydrophobicContact CG1-CD1 4.45Å |
| 70 | G | 95.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | -169.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | F12 L48 | F12-G70 VanDerWaalsContact CE2-CA 3.49Å; L48-G70 PolarHBondContact N-O 3.28Å; L48-G70 PolarHBondContact O-N 3.27Å |
| 71 | A | 93.8 | Very high | 87.7 | Confident | 16 Ų | 16 | 39.4 Ų | 39.4 | 13% | 0.132 | 20% | 0.202 | C | C | . | . | trans | -153.1 | 158.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | L47 R75 L76 | L47-A71 HydrophobicContact CD2-CB 3.84Å; A71-R75 HydrophobicContact CB-CB 4.29Å; A71-R75 HydrophobicContact CB-CG 4.17Å; A71-L76 HydrophobicContact CB-CD1 4.49Å; A71-L76 HydrophobicContact CB-CD2 3.87Å; A71-L76 HydrophobicContact CB-CG 3.81Å | ||
| 72 | S | 92.4 | Very high | 89.4 | Confident | 59 Ų | 59 | 33.2 Ų | 33.2 | 41% | 0.413 | 18% | 0.178 | S | C | . | . | trans | -68.9 | 157.4 | 164.8 | 64.6 | 0 | 0 | 0 | 0 | 110.3 | E74 R75 L76 | S72-E74 VanDerWaalsContact C-N 3.34Å; S72-E74 PolarHBondContact O-N 3.41Å; S72-R75 WeakPolarHBondContact O-CB 3.25Å; S72-R75 PolarHBondContact O-N 3.16Å; S72-R75 VanDerWaalsContact O-N 3.14Å; S72-R75 WeakPolarHBondContact OG-CB 3.45Å; S72-R75 PolarHBondContact OG-N 2.9Å; S72-L76 PolarHBondContact O-N 3.03Å | ||
| 73 | W | 90.1 | Very high | 90.5 | Very high | 55 Ų | 55 | 30.8 Ų | 30.8 | 21% | 0.208 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61 | -42.7 | -179.8 | -171.3 | -114.9 | 0 | 0 | 0 | 112.8 | R75 L76 L77 D111 G112 F115 L116 | W73-R75 PolarHBondContact O-N 3.02Å; W73-L76 HydrophobicContact CE3-CD1 3.87Å; W73-L76 HydrophobicContact CZ3-CD1 4.09Å; W73-L76 WeakPolarHBondContact O-CB 3.11Å; W73-L76 PolarHBondContact O-N 3.19Å; W73-L76 VanDerWaalsContact O-N 3.14Å; W73-L77 HydrophobicContact CZ2-CD2 3.95Å; W73-L77 WeakPolarHBondContact O-CG 3.44Å; W73-L77 PolarHBondContact O-N 3.32Å; W73-D111 PolarHBondContact NE1-O 2.57Å; W73-G112 WeakPolarHBondContact CZ2-O 3.36Å; W73-F115 HydrophobicContact CZ2-CB 4.18Å; W73-L116 HydrophobicContact CH2-CB 3.67Å; W73-L116 HydrophobicContact CH2-CD1 3.99Å; W73-L116 HydrophobicContact CH2-CG 3.8Å; W73-L116 HydrophobicContact CZ2-CD1 4.4Å; W73-L116 HydrophobicContact CZ2-CG 4.21Å; W73-L116 HydrophobicContact CZ3-CB 4.31Å; W73-L116 HydrophobicContact CZ3-CD1 4.4Å |
| 74 | E | 89.6 | Confident | 91.2 | Very high | 160 Ų | 160 | 30.9 Ų | 30.9 | 75% | 0.748 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -57.9 | -38.8 | 175.2 | -62.7 | -178 | 165.1 | 0 | 0 | 112.3 | S72 L77 S78 | S72-E74 VanDerWaalsContact C-N 3.34Å; S72-E74 PolarHBondContact O-N 3.41Å; E74-L77 PolarHBondContact O-N 3.16Å; E74-S78 PolarHBondContact O-N 3.46Å |
| 75 | R | 91.9 | Very high | 91.8 | Very high | 23 Ų | 23 | 28.2 Ų | 28.2 | 9% | 0.087 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69 | -38 | 178.4 | 178.6 | 60.2 | -175.6 | 101.2 | -3.4 | 112.2 | Q40 A45 L47 A71 S72 W73 S78 G79 E128 | Q40-R75 VanDerWaalsContact CD-NH2 3.29Å; A45-R75 PolarHBondContact O-NE 3.02Å; A45-R75 PolarHBondContact O-NH2 3.28Å; L47-R75 HydrophobicContact CD2-CG 4.42Å; A71-R75 HydrophobicContact CB-CB 4.29Å; A71-R75 HydrophobicContact CB-CG 4.17Å; S72-R75 WeakPolarHBondContact O-CB 3.25Å; S72-R75 PolarHBondContact O-N 3.16Å; S72-R75 VanDerWaalsContact O-N 3.14Å; S72-R75 WeakPolarHBondContact OG-CB 3.45Å; S72-R75 PolarHBondContact OG-N 2.9Å; W73-R75 PolarHBondContact O-N 3.02Å; R75-S78 PolarHBondContact O-N 2.95Å; R75-G79 PolarHBondContact O-N 3.25Å; R75-E128 IonicContact CZ-OE1 3.12Å; R75-E128 IonicContact CZ-OE2 2.9Å; R75-E128 IonicContact NH1-OE1 2.75Å; R75-E128 PolarHBondContact NH1-OE1 2.98Å; R75-E128 IonicContact NH2-OE1 2.83Å; R75-E128 PolarHBondContact NH2-OE1 3.42Å; R75-E128 IonicContact NH2-OE2 3.68Å; R75-E128 PolarHBondContact NH2-OE2 3.49Å |
| 76 | L | 93.4 | Very high | 91.9 | Very high | 9 Ų | 9 | 29.7 Ų | 29.7 | 5% | 0.047 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65 | -41.4 | 174.3 | -69.8 | 170.3 | 0 | 0 | 0 | 111.4 | A71 S72 W73 G79 A80 L116 C121 I124 I125 | A71-L76 HydrophobicContact CB-CD1 4.49Å; A71-L76 HydrophobicContact CB-CD2 3.87Å; A71-L76 HydrophobicContact CB-CG 3.81Å; S72-L76 PolarHBondContact O-N 3.03Å; W73-L76 HydrophobicContact CE3-CD1 3.87Å; W73-L76 HydrophobicContact CZ3-CD1 4.09Å; W73-L76 WeakPolarHBondContact O-CB 3.11Å; W73-L76 PolarHBondContact O-N 3.19Å; W73-L76 VanDerWaalsContact O-N 3.14Å; L76-G79 PolarHBondContact O-N 3.18Å; L76-A80 WeakPolarHBondContact O-CB 3.22Å; L76-A80 PolarHBondContact O-N 3.14Å; L76-L116 HydrophobicContact CB-CD1 3.98Å; L76-C121 HydrophobicContact CD1-CB 4.33Å; L76-C121 HydrophobicContact CD2-CB 4.17Å; L76-I124 HydrophobicContact CD2-CG2 4.33Å; L76-I125 HydrophobicContact CD2-CD1 4.42Å; L76-I125 HydrophobicContact CD2-CG1 4.25Å |
| 77 | L | 93.1 | Very high | 92 | Very high | 8 Ų | 8 | 30.8 Ų | 30.8 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.7 | -43.8 | 174.8 | -64.1 | 178.1 | 0 | 0 | 0 | 111.6 | W73 E74 G79 A80 E81 F97 F108 F115 L116 | W73-L77 HydrophobicContact CZ2-CD2 3.95Å; W73-L77 WeakPolarHBondContact O-CG 3.44Å; W73-L77 PolarHBondContact O-N 3.32Å; E74-L77 PolarHBondContact O-N 3.16Å; L77-G79 VanDerWaalsContact C-N 3.32Å; L77-G79 PolarHBondContact O-N 3.42Å; L77-A80 WeakPolarHBondContact O-CB 3.11Å; L77-A80 PolarHBondContact O-N 3.22Å; L77-E81 PolarHBondContact O-N 3.13Å; L77-E81 VanDerWaalsContact O-N 3.14Å; L77-F97 HydrophobicContact CB-CE1 4.18Å; L77-F97 HydrophobicContact CB-CZ 4.24Å; L77-F97 HydrophobicContact CD2-CE1 4.29Å; L77-F97 HydrophobicContact CD2-CZ 3.79Å; L77-F97 HydrophobicContact CG-CZ 4.49Å; L77-F97 WeakPolarHBondContact O-CE1 3.34Å; L77-F108 HydrophobicContact CD1-CE2 4.2Å; L77-F108 HydrophobicContact CD2-CE2 4.36Å; L77-F115 HydrophobicContact CD2-CD1 4.14Å; L77-L116 HydrophobicContact CD2-CD1 4.18Å; L77-L116 HydrophobicContact CD2-CG 4.44Å |
| 78 | S | 92 | Very high | 91.9 | Very high | 39 Ų | 39 | 33.2 Ų | 33.2 | 27% | 0.273 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.9 | -43.7 | 173.7 | -172.2 | 0 | 0 | 0 | 0 | 111.6 | E74 R75 A80 E81 D82 | E74-S78 PolarHBondContact O-N 3.46Å; R75-S78 PolarHBondContact O-N 2.95Å; S78-A80 VanDerWaalsContact C-N 3.32Å; S78-A80 PolarHBondContact O-N 2.82Å; S78-E81 WeakPolarHBondContact O-CB 3.32Å; S78-E81 PolarHBondContact O-N 2.98Å; S78-D82 PolarHBondContact O-N 3.44Å |
| 79 | G | 91.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67 | -31.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R75 L76 L77 E81 D82 V83 | R75-G79 PolarHBondContact O-N 3.25Å; L76-G79 PolarHBondContact O-N 3.18Å; L77-G79 VanDerWaalsContact C-N 3.32Å; L77-G79 PolarHBondContact O-N 3.42Å; G79-E81 VanDerWaalsContact C-N 3.31Å; G79-E81 PolarHBondContact O-N 2.64Å; G79-D82 PolarHBondContact O-N 3.03Å; G79-V83 WeakPolarHBondContact O-CB 3.42Å; G79-V83 VanDerWaalsContact O-CG2 3.25Å; G79-V83 WeakPolarHBondContact O-CG2 3.37Å; G79-V83 PolarHBondContact O-N 3.46Å |
| 80 | A | 92.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.7 | -35.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L76 L77 S78 G84 L85 F97 L116 I124 | L76-A80 WeakPolarHBondContact O-CB 3.22Å; L76-A80 PolarHBondContact O-N 3.14Å; L77-A80 WeakPolarHBondContact O-CB 3.11Å; L77-A80 PolarHBondContact O-N 3.22Å; S78-A80 VanDerWaalsContact C-N 3.32Å; S78-A80 PolarHBondContact O-N 2.82Å; A80-G84 PolarHBondContact O-N 2.84Å; A80-G84 VanDerWaalsContact O-N 3.14Å; A80-L85 HydrophobicContact CB-CD1 3.85Å; A80-L85 HydrophobicContact CB-CG 4.38Å; A80-L85 PolarHBondContact O-N 3.11Å; A80-F97 HydrophobicContact CB-CD1 3.82Å; A80-F97 HydrophobicContact CB-CE1 4.13Å; A80-L116 HydrophobicContact CB-CD1 4.28Å; A80-L116 HydrophobicContact CB-CD2 4.14Å; A80-I124 HydrophobicContact CB-CD1 3.83Å |
| 81 | E | 92.1 | Very high | 91.1 | Very high | 71 Ų | 71 | 43.4 Ų | 43.4 | 33% | 0.332 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -70.2 | -44.1 | 172.3 | 178.5 | 169.2 | -168.8 | 0 | 0 | 111.4 | L77 S78 G79 V83 G84 F97 T98 C99 | L77-E81 PolarHBondContact O-N 3.13Å; L77-E81 VanDerWaalsContact O-N 3.14Å; S78-E81 WeakPolarHBondContact O-CB 3.32Å; S78-E81 PolarHBondContact O-N 2.98Å; G79-E81 VanDerWaalsContact C-N 3.31Å; G79-E81 PolarHBondContact O-N 2.64Å; E81-V83 VanDerWaalsContact C-N 3.34Å; E81-V83 PolarHBondContact O-N 3.43Å; E81-G84 WeakPolarHBondContact O-CA 3.39Å; E81-G84 PolarHBondContact O-N 3.37Å; E81-F97 HydrophobicContact CB-CD1 4.32Å; E81-T98 HydrophobicContact CG-CG2 4.44Å; E81-T98 WeakPolarHBondContact OE1-CB 3.41Å; E81-C99 WeakPolarHBondContact OE2-CB 3.33Å; E81-C99 PolarHBondContact OE2-N 2.88Å; E81-C99 PolarHBondContact OE2-SG 2.86Å |
| 82 | D | 88.3 | Confident | 90.7 | Very high | 66 Ų | 66 | 43.9 Ų | 43.9 | 35% | 0.353 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.1 | -42.6 | 177.9 | -70.4 | -26.7 | 0 | 0 | 0 | 112.3 | Q40 S78 G79 G84 | Q40-D82 PolarHBondContact NE2-OD2 3.42Å; S78-D82 PolarHBondContact O-N 3.44Å; G79-D82 PolarHBondContact O-N 3.03Å; D82-G84 VanDerWaalsContact C-N 3.26Å; D82-G84 PolarHBondContact O-N 3.1Å |
| 83 | V | 88.3 | Confident | 90.6 | Very high | 17 Ų | 17 | 42.2 Ų | 42.2 | 10% | 0.103 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.3 | -23.5 | 174.6 | 169.1 | 0 | 0 | 0 | 0 | 112.1 | G79 E81 L85 Y123 I124 H127 | G79-V83 WeakPolarHBondContact O-CB 3.42Å; G79-V83 VanDerWaalsContact O-CG2 3.25Å; G79-V83 WeakPolarHBondContact O-CG2 3.37Å; G79-V83 PolarHBondContact O-N 3.46Å; E81-V83 VanDerWaalsContact C-N 3.34Å; E81-V83 PolarHBondContact O-N 3.43Å; V83-L85 HydrophobicContact CG1-CD2 3.83Å; V83-L85 HydrophobicContact CG1-CG 4.14Å; V83-Y123 HydrophobicContact CG1-CD1 4.13Å; V83-Y123 HydrophobicContact CG1-CE1 3.55Å; V83-I124 HydrophobicContact CG2-CG1 4.34Å; V83-H127 HydrophobicContact CG2-CB 4.09Å; V83-H127 VanDerWaalsContact CG2-CD2 3.44Å; V83-H127 WeakPolarHBondContact CG2-CD2 3.23Å |
| 84 | G | 89.2 | Confident | 90.7 | Very high | 25 Ų | 25 | 40.2 Ų | 40.2 | 26% | 0.258 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 49.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A80 E81 D82 | A80-G84 PolarHBondContact O-N 2.84Å; A80-G84 VanDerWaalsContact O-N 3.14Å; E81-G84 WeakPolarHBondContact O-CA 3.39Å; E81-G84 PolarHBondContact O-N 3.37Å; D82-G84 VanDerWaalsContact C-N 3.26Å; D82-G84 PolarHBondContact O-N 3.1Å |
| 85 | L | 90.4 | Very high | 90.7 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 9% | 0.089 | 20% | 0.198 | C | C | . | . | trans | -64.4 | 144.1 | 175.3 | -67 | -175.4 | 0 | 0 | 0 | 111.4 | A80 V83 G96 F97 L116 E120 I124 | A80-L85 HydrophobicContact CB-CD1 3.85Å; A80-L85 HydrophobicContact CB-CG 4.38Å; A80-L85 PolarHBondContact O-N 3.11Å; V83-L85 HydrophobicContact CG1-CD2 3.83Å; V83-L85 HydrophobicContact CG1-CG 4.14Å; L85-G96 CarbonylContact O-C 3.59Å; L85-G96 WeakPolarHBondContact O-CA 3.49Å; L85-F97 WeakPolarHBondContact O-CB 3.23Å; L85-F97 PolarHBondContact O-N 2.83Å; L85-L116 HydrophobicContact CD1-CD2 4.13Å; L85-E120 HydrophobicContact CD1-CB 4.31Å; L85-E120 HydrophobicContact CD1-CG 4.3Å; L85-I124 HydrophobicContact CD1-CD1 4.23Å | ||
| 86 | F | 91.5 | Very high | 90.7 | Very high | 43 Ų | 43 | 35.6 Ų | 35.6 | 19% | 0.189 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 132 | 174 | -85.7 | -109.4 | 0 | 0 | 0 | 109.9 | R95 G270 S273 L626 | F86-R95 VanDerWaalsContact CA-O 3.32Å; F86-R95 WeakPolarHBondContact CA-O 3.27Å; F86-R95 VanDerWaalsContact CD1-C 3.41Å; F86-G270 VanDerWaalsContact CB-O 3.28Å; F86-G270 WeakPolarHBondContact CB-O 3.09Å; F86-S273 VanDerWaalsContact CE1-CB 3.45Å; F86-L626 HydrophobicContact CE1-CD2 4.3Å |
| 87 | K | 91.8 | Very high | 90.6 | Very high | 30 Ų | 30 | 35.4 Ų | 35.4 | 13% | 0.13 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 160.8 | -177.5 | -65.9 | -76.1 | -168.4 | 166.4 | 0 | 110.3 | Y89 R95 F105 F115 E120 | K87-Y89 PolarHBondContact O-N 2.96Å; K87-R95 PolarHBondContact N-O 3Å; K87-R95 PolarHBondContact O-N 3.31Å; K87-F105 HydrophobicContact CB-CD1 3.55Å; K87-F105 HydrophobicContact CB-CE1 3.73Å; K87-F105 HydrophobicContact CB-CG 4.48Å; K87-F115 HydrophobicContact CB-CE2 4.45Å; K87-F115 HydrophobicContact CB-CZ 4.08Å; K87-F115 HydrophobicContact CD-CE2 4.5Å; K87-F115 HydrophobicContact CD-CZ 4.24Å; K87-F115 HydrophobicContact CG-CE1 4.41Å; K87-F115 HydrophobicContact CG-CE2 4.33Å; K87-F115 HydrophobicContact CG-CZ 3.73Å; K87-F115 PolarHBondContact NZ-O 2.79Å; K87-E120 VanDerWaalsContact CE-OE1 3.25Å; K87-E120 WeakPolarHBondContact CE-OE1 3.42Å; K87-E120 IonicContact NZ-OE1 2.63Å; K87-E120 PolarHBondContact NZ-OE1 2.98Å; K87-E120 IonicContact NZ-OE2 3.66Å; K87-E120 PolarHBondContact NZ-OE2 3.18Å |
| 88 | E | 91.5 | Very high | 90.5 | Very high | 55 Ų | 55 | 36.8 Ų | 36.8 | 26% | 0.257 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 122.9 | 178.8 | -161.5 | -171.1 | 164.5 | 0 | 0 | 110.2 | M94 K106 | E88-M94 HydrophobicContact CB-SD 3.91Å; E88-M94 HydrophobicContact CG-SD 4.3Å; E88-K106 HydrophobicContact CG-CD 4.31Å; E88-K106 PolarHBondContact O-N 3.34Å; E88-K106 IonicContact OE1-NZ 3.06Å; E88-K106 PolarHBondContact OE1-NZ 3.44Å; E88-K106 WeakPolarHBondContact OE2-CD 3.5Å; E88-K106 IonicContact OE2-NZ 2.8Å; E88-K106 PolarHBondContact OE2-NZ 3.13Å |
| 89 | Y | 91.4 | Very high | 90.4 | Very high | 33 Ų | 33 | 37.1 Ų | 37.1 | 13% | 0.129 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -74.3 | 162 | 169.5 | -111.3 | -124.8 | 0 | 0 | 0 | 111 | K87 D91 G92 S93 R95 N101 N104 F105 | K87-Y89 PolarHBondContact O-N 2.96Å; Y89-D91 WeakPolarHBondContact CB-OD1 3.31Å; Y89-D91 PolarHBondContact O-N 3.44Å; Y89-G92 PolarHBondContact O-N 3.23Å; Y89-S93 WeakPolarHBondContact CB-O 3.36Å; Y89-S93 PolarHBondContact N-O 3.15Å; Y89-R95 HydrophobicContact CD2-CB 3.67Å; Y89-R95 HydrophobicContact CD2-CG 3.81Å; Y89-R95 HydrophobicContact CE2-CB 3.75Å; Y89-R95 HydrophobicContact CE2-CG 4.11Å; Y89-R95 HydrophobicContact CG-CB 4.46Å; Y89-R95 HydrophobicContact CG-CG 4.1Å; Y89-N101 VanDerWaalsContact OH-CB 3.31Å; Y89-N101 WeakPolarHBondContact OH-CB 3.29Å; Y89-N101 PolarHBondContact OH-ND2 3.45Å; Y89-N104 HydrophobicContact CD1-CB 4.04Å; Y89-N104 HydrophobicContact CE1-CB 3.47Å; Y89-N104 VanDerWaalsContact CE1-CB 3.47Å; Y89-N104 HydrophobicContact CE2-CB 4.33Å; Y89-F105 AromaticContact CD2-CD1 3.59Å; Y89-F105 HydrophobicContact CD2-CD1 3.59Å; Y89-F105 AromaticContact CD2-CE1 3.37Å; Y89-F105 HydrophobicContact CD2-CE1 3.37Å; Y89-F105 HydrophobicContact CD2-CE2 4.39Å; Y89-F105 HydrophobicContact CD2-CG 4.2Å; Y89-F105 AromaticContact CD2-CZ 3.8Å; Y89-F105 HydrophobicContact CD2-CZ 3.8Å; Y89-F105 AromaticContact CE2-CD1 3.99Å; Y89-F105 HydrophobicContact CE2-CD1 3.99Å; Y89-F105 HydrophobicContact CE2-CD2 4.25Å; Y89-F105 AromaticContact CE2-CE1 3.49Å; Y89-F105 HydrophobicContact CE2-CE1 3.49Å; Y89-F105 VanDerWaalsContact CE2-CE1 3.49Å; Y89-F105 AromaticContact CE2-CE2 3.79Å; Y89-F105 HydrophobicContact CE2-CE2 3.79Å; Y89-F105 HydrophobicContact CE2-CG 4.35Å; Y89-F105 AromaticContact CE2-CZ 3.37Å; Y89-F105 HydrophobicContact CE2-CZ 3.37Å |
| 90 | S | 89.9 | Confident | 90.3 | Very high | 87 Ų | 87 | 43.2 Ų | 43.2 | 61% | 0.608 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -16.8 | 176.3 | -57.6 | 0 | 0 | 0 | 0 | 114.6 | N104 | S90-N104 PolarHBondContact N-O 3.31Å; S90-N104 PolarHBondContact OG-O 3.25Å; S90-N104 VanDerWaalsContact OG-O 3.08Å |
| 91 | D | 88.3 | Confident | 90.1 | Very high | 98 Ų | 98 | 44.4 Ų | 44.4 | 52% | 0.524 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 0.4 | 174.1 | 69 | -2.1 | 0 | 0 | 0 | 113.7 | Y89 S93 R95 | Y89-D91 WeakPolarHBondContact CB-OD1 3.31Å; Y89-D91 PolarHBondContact O-N 3.44Å; D91-S93 VanDerWaalsContact C-N 3.32Å; D91-S93 VanDerWaalsContact CG-OG 3.24Å; D91-S93 WeakPolarHBondContact OD1-CB 3.29Å; D91-S93 PolarHBondContact OD1-N 3.34Å; D91-S93 PolarHBondContact OD1-OG 2.93Å; D91-S93 PolarHBondContact OD2-OG 3.38Å; D91-R95 IonicContact OD2-NH2 2.77Å; D91-R95 PolarHBondContact OD2-NH2 2.73Å |
| 92 | G | 86.6 | Confident | 89.9 | Confident | 26 Ų | 26 | 44.3 Ų | 44.3 | 27% | 0.268 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 79 | 7.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y89 | Y89-G92 PolarHBondContact O-N 3.23Š|
| 93 | S | 89.3 | Confident | 90 | Very high | 25 Ų | 25 | 47.1 Ų | 47.1 | 18% | 0.175 | 27% | 0.269 | C | S | . | . | trans | -84.4 | 148.8 | 172.5 | 70.1 | 0 | 0 | 0 | 0 | 111.5 | Y89 D91 R95 | Y89-S93 WeakPolarHBondContact CB-O 3.36Å; Y89-S93 PolarHBondContact N-O 3.15Å; D91-S93 VanDerWaalsContact C-N 3.32Å; D91-S93 VanDerWaalsContact CG-OG 3.24Å; D91-S93 WeakPolarHBondContact OD1-CB 3.29Å; D91-S93 PolarHBondContact OD1-N 3.34Å; D91-S93 PolarHBondContact OD1-OG 2.93Å; D91-S93 PolarHBondContact OD2-OG 3.38Å; S93-R95 PolarHBondContact OG-NE 3.35Å | ||
| 94 | M | 91.3 | Very high | 90.1 | Very high | 12 Ų | 12 | 50.3 Ų | 50.3 | 6% | 0.059 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 120 | 173.8 | -67.2 | -59.3 | -73.1 | 0 | 0 | 109.3 | E88 Y267 | E88-M94 HydrophobicContact CB-SD 3.91Å; E88-M94 HydrophobicContact CG-SD 4.3Å; M94-Y267 HydrophobicContact CB-CE2 4.32Å; M94-Y267 HydrophobicContact CG-CD1 4.46Å; M94-Y267 HydrophobicContact CG-CE1 3.82Å; M94-Y267 HydrophobicContact CG-CE2 4.21Å |
| 95 | R | 91.3 | Very high | 90.2 | Very high | 61 Ų | 61 | 49.2 Ų | 49.2 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 154 | -178.9 | -57 | -167.3 | -171.1 | -122.5 | -2.2 | 111.5 | F86 K87 Y89 D91 S93 E629 | F86-R95 VanDerWaalsContact CA-O 3.32Å; F86-R95 WeakPolarHBondContact CA-O 3.27Å; F86-R95 VanDerWaalsContact CD1-C 3.41Å; K87-R95 PolarHBondContact N-O 3Å; K87-R95 PolarHBondContact O-N 3.31Å; Y89-R95 HydrophobicContact CD2-CB 3.67Å; Y89-R95 HydrophobicContact CD2-CG 3.81Å; Y89-R95 HydrophobicContact CE2-CB 3.75Å; Y89-R95 HydrophobicContact CE2-CG 4.11Å; Y89-R95 HydrophobicContact CG-CB 4.46Å; Y89-R95 HydrophobicContact CG-CG 4.1Å; D91-R95 IonicContact OD2-NH2 2.77Å; D91-R95 PolarHBondContact OD2-NH2 2.73Å; S93-R95 PolarHBondContact OG-NE 3.35Å; R95-E629 IonicContact CZ-OE2 2.82Å; R95-E629 IonicContact NH1-OE2 3.53Å; R95-E629 PolarHBondContact NH1-OE2 3.41Å; R95-E629 IonicContact NH2-OE1 3.89Å; R95-E629 IonicContact NH2-OE2 3.77Å; R95-E629 PolarHBondContact NH2-OE2 3.48Å |
| 96 | G | 90.6 | Very high | 90.1 | Very high | 26 Ų | 26 | 53.3 Ų | 53.3 | 27% | 0.268 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 134.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L85 | L85-G96 CarbonylContact O-C 3.59Å; L85-G96 WeakPolarHBondContact O-CA 3.49Å |
| 97 | F | 91.8 | Very high | 89.8 | Confident | 5 Ų | 5 | 56.1 Ų | 56.1 | 2% | 0.022 | 31% | 0.307 | C | S | . | . | trans | -71.2 | 132.4 | 177.2 | -178.3 | -97.1 | 0 | 0 | 0 | 111 | L77 A80 E81 L85 K102 F105 F115 | L77-F97 HydrophobicContact CB-CE1 4.18Å; L77-F97 HydrophobicContact CB-CZ 4.24Å; L77-F97 HydrophobicContact CD2-CE1 4.29Å; L77-F97 HydrophobicContact CD2-CZ 3.79Å; L77-F97 HydrophobicContact CG-CZ 4.49Å; L77-F97 WeakPolarHBondContact O-CE1 3.34Å; A80-F97 HydrophobicContact CB-CD1 3.82Å; A80-F97 HydrophobicContact CB-CE1 4.13Å; E81-F97 HydrophobicContact CB-CD1 4.32Å; L85-F97 WeakPolarHBondContact O-CB 3.23Å; L85-F97 PolarHBondContact O-N 2.83Å; F97-K102 HydrophobicContact CE2-CB 4.05Å; F97-K102 HydrophobicContact CZ-CB 4.19Å; F97-F105 HydrophobicContact CB-CZ 4.21Å; F97-F105 AromaticContact CD2-CD2 3.89Å; F97-F105 HydrophobicContact CD2-CD2 3.89Å; F97-F105 AromaticContact CD2-CE2 3.52Å; F97-F105 HydrophobicContact CD2-CE2 3.52Å; F97-F105 AromaticContact CD2-CZ 3.95Å; F97-F105 HydrophobicContact CD2-CZ 3.95Å; F97-F105 HydrophobicContact CE2-CD2 4.17Å; F97-F105 HydrophobicContact CE2-CE2 4.09Å; F97-F105 HydrophobicContact CG-CE2 4.41Å; F97-F115 AromaticContact CD2-CE1 3.56Å; F97-F115 HydrophobicContact CD2-CE1 3.56Å; F97-F115 AromaticContact CD2-CZ 3.69Å; F97-F115 HydrophobicContact CD2-CZ 3.69Å; F97-F115 HydrophobicContact CE2-CD1 4.36Å; F97-F115 AromaticContact CE2-CE1 3.41Å; F97-F115 HydrophobicContact CE2-CE1 3.41Å; F97-F115 VanDerWaalsContact CE2-CE1 3.41Å; F97-F115 AromaticContact CE2-CZ 3.81Å; F97-F115 HydrophobicContact CE2-CZ 3.81Å; F97-F115 HydrophobicContact CG-CE1 4.41Å; F97-F115 HydrophobicContact CZ-CE1 4.17Å | ||
| 98 | T | 91.5 | Very high | 89.6 | Confident | 36 Ų | 36 | 55.5 Ų | 55.5 | 22% | 0.221 | 31% | 0.305 | C | S | . | . | trans | -135.6 | 150.8 | 166.6 | 70.7 | 0 | 0 | 0 | 0 | 109.3 | E81 T100 N101 K102 | E81-T98 HydrophobicContact CG-CG2 4.44Å; E81-T98 WeakPolarHBondContact OE1-CB 3.41Å; T98-T100 PolarHBondContact O-N 2.96Å; T98-T100 VanDerWaalsContact O-N 3.16Å; T98-T100 PolarHBondContact OG1-OG1 2.95Å; T98-T100 VanDerWaalsContact OG1-OG1 3.04Å; T98-N101 WeakPolarHBondContact CA-OD1 3.22Å; T98-N101 WeakPolarHBondContact CB-OD1 3.38Å; T98-N101 PolarHBondContact N-OD1 3.02Å; T98-N101 PolarHBondContact O-N 3.48Å; T98-N101 PolarHBondContact O-OD1 3.41Å; T98-N101 PolarHBondContact OG1-N 2.82Å; T98-N101 PolarHBondContact OG1-ND2 2.77Å; T98-N101 PolarHBondContact OG1-OD1 3.08Å; T98-K102 PolarHBondContact O-N 3.48Å | ||
| 99 | C | 88.9 | Confident | 89.1 | Confident | 46 Ų | 46 | 60.1 Ų | 60.1 | 31% | 0.311 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -61.9 | -26.5 | 177.9 | -67 | 0 | 0 | 0 | 0 | 112.2 | E81 K102 | E81-C99 WeakPolarHBondContact OE2-CB 3.33Å; E81-C99 PolarHBondContact OE2-N 2.88Å; E81-C99 PolarHBondContact OE2-SG 2.86Å; C99-K102 WeakPolarHBondContact O-CD 3.46Å; C99-K102 WeakPolarHBondContact O-CG 3.36Å |
| 100 | T | 89.6 | Confident | 88.6 | Confident | 128 Ų | 128 | 61.8 Ų | 61.8 | 79% | 0.785 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -72.7 | -35.3 | -178.9 | 65.7 | 0 | 0 | 0 | 0 | 113.3 | T98 | T98-T100 PolarHBondContact O-N 2.96Å; T98-T100 VanDerWaalsContact O-N 3.16Å; T98-T100 PolarHBondContact OG1-OG1 2.95Å; T98-T100 VanDerWaalsContact OG1-OG1 3.04Å |
| 101 | N | 88.1 | Confident | 87.6 | Confident | 26 Ų | 26 | 64.2 Ų | 64.2 | 14% | 0.139 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -102.9 | 13.4 | -176.7 | 68.3 | -8.3 | 0 | 0 | 0 | 113.9 | Y89 T98 H103 N104 F105 | Y89-N101 VanDerWaalsContact OH-CB 3.31Å; Y89-N101 WeakPolarHBondContact OH-CB 3.29Å; Y89-N101 PolarHBondContact OH-ND2 3.45Å; T98-N101 WeakPolarHBondContact CA-OD1 3.22Å; T98-N101 WeakPolarHBondContact CB-OD1 3.38Å; T98-N101 PolarHBondContact N-OD1 3.02Å; T98-N101 PolarHBondContact O-N 3.48Å; T98-N101 PolarHBondContact O-OD1 3.41Å; T98-N101 PolarHBondContact OG1-N 2.82Å; T98-N101 PolarHBondContact OG1-ND2 2.77Å; T98-N101 PolarHBondContact OG1-OD1 3.08Å; N101-H103 VanDerWaalsContact C-N 3.26Å; N101-H103 PolarHBondContact O-N 3.14Å; N101-H103 VanDerWaalsContact O-N 3.1Å; N101-N104 WeakPolarHBondContact O-CB 3.35Å; N101-N104 PolarHBondContact O-N 3.11Å; N101-F105 VanDerWaalsContact OD1-CE2 3.3Å; N101-F105 WeakPolarHBondContact OD1-CE2 3.45Å |
| 102 | K | 88.3 | Confident | 86.8 | Confident | 68 Ų | 68 | 59.5 Ų | 59.5 | 30% | 0.296 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -50.2 | -38.2 | -174.6 | 65.8 | -174.6 | -178.6 | 175.2 | 0 | 114.9 | F97 T98 C99 N104 F105 F108 | F97-K102 HydrophobicContact CE2-CB 4.05Å; F97-K102 HydrophobicContact CZ-CB 4.19Å; T98-K102 PolarHBondContact O-N 3.48Å; C99-K102 WeakPolarHBondContact O-CD 3.46Å; C99-K102 WeakPolarHBondContact O-CG 3.36Å; K102-N104 PolarHBondContact O-N 3.01Å; K102-F105 WeakPolarHBondContact O-CD2 3.45Å; K102-F105 PolarHBondContact O-N 3.17Å; K102-F108 HydrophobicContact CB-CD1 4.48Å; K102-F108 HydrophobicContact CB-CD2 4.24Å; K102-F108 HydrophobicContact CB-CE1 4.28Å; K102-F108 HydrophobicContact CB-CE2 4.02Å; K102-F108 HydrophobicContact CB-CG 4.49Å; K102-F108 HydrophobicContact CB-CZ 4.05Å; K102-F108 HydrophobicContact CD-CE1 4.14Å; K102-F108 HydrophobicContact CD-CE2 4.35Å; K102-F108 HydrophobicContact CD-CZ 3.73Å; K102-F108 HydrophobicContact CG-CE1 4Å; K102-F108 HydrophobicContact CG-CE2 4.45Å; K102-F108 HydrophobicContact CG-CZ 3.98Å; K102-F108 WeakPolarHBondContact O-CB 3.43Å; K102-F108 WeakPolarHBondContact O-CD1 3.48Å; K102-F108 WeakPolarHBondContact O-CG 3.29Å |
| 103 | H | 89.7 | Confident | 86 | Confident | 126 Ų | 126 | 64.7 Ų | 64.7 | 58% | 0.583 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -73.4 | -10.1 | -178.6 | -59.5 | -65.1 | 0 | 0 | 0 | 114.6 | N101 F108 | N101-H103 VanDerWaalsContact C-N 3.26Å; N101-H103 PolarHBondContact O-N 3.14Å; N101-H103 VanDerWaalsContact O-N 3.1Å; H103-F108 AromaticContact CE1-CE1 3.82Å; H103-F108 AromaticContact ND1-CD1 3.84Å; H103-F108 AromaticContact ND1-CE1 3.65Å |
| 104 | N | 90.4 | Very high | 85.4 | Confident | 83 Ų | 83 | 66.7 Ų | 66.7 | 44% | 0.444 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -90.6 | -4.2 | 179.4 | -60.8 | -30.2 | 0 | 0 | 0 | 112.9 | Y89 S90 N101 K102 | Y89-N104 HydrophobicContact CD1-CB 4.04Å; Y89-N104 HydrophobicContact CE1-CB 3.47Å; Y89-N104 VanDerWaalsContact CE1-CB 3.47Å; Y89-N104 HydrophobicContact CE2-CB 4.33Å; S90-N104 PolarHBondContact N-O 3.31Å; S90-N104 PolarHBondContact OG-O 3.25Å; S90-N104 VanDerWaalsContact OG-O 3.08Å; N101-N104 WeakPolarHBondContact O-CB 3.35Å; N101-N104 PolarHBondContact O-N 3.11Å; K102-N104 PolarHBondContact O-N 3.01Å |
| 105 | F | 91.9 | Very high | 85.3 | Confident | 3 Ų | 3 | 66.5 Ų | 66.5 | 1% | 0.013 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -85.4 | 140 | 176 | -67.7 | -83.8 | 0 | 0 | 0 | 111 | K87 Y89 F97 N101 K102 D107 F108 F115 | K87-F105 HydrophobicContact CB-CD1 3.55Å; K87-F105 HydrophobicContact CB-CE1 3.73Å; K87-F105 HydrophobicContact CB-CG 4.48Å; Y89-F105 AromaticContact CD2-CD1 3.59Å; Y89-F105 HydrophobicContact CD2-CD1 3.59Å; Y89-F105 AromaticContact CD2-CE1 3.37Å; Y89-F105 HydrophobicContact CD2-CE1 3.37Å; Y89-F105 HydrophobicContact CD2-CE2 4.39Å; Y89-F105 HydrophobicContact CD2-CG 4.2Å; Y89-F105 AromaticContact CD2-CZ 3.8Å; Y89-F105 HydrophobicContact CD2-CZ 3.8Å; Y89-F105 AromaticContact CE2-CD1 3.99Å; Y89-F105 HydrophobicContact CE2-CD1 3.99Å; Y89-F105 HydrophobicContact CE2-CD2 4.25Å; Y89-F105 AromaticContact CE2-CE1 3.49Å; Y89-F105 HydrophobicContact CE2-CE1 3.49Å; Y89-F105 VanDerWaalsContact CE2-CE1 3.49Å; Y89-F105 AromaticContact CE2-CE2 3.79Å; Y89-F105 HydrophobicContact CE2-CE2 3.79Å; Y89-F105 HydrophobicContact CE2-CG 4.35Å; Y89-F105 AromaticContact CE2-CZ 3.37Å; Y89-F105 HydrophobicContact CE2-CZ 3.37Å; F97-F105 HydrophobicContact CB-CZ 4.21Å; F97-F105 AromaticContact CD2-CD2 3.89Å; F97-F105 HydrophobicContact CD2-CD2 3.89Å; F97-F105 AromaticContact CD2-CE2 3.52Å; F97-F105 HydrophobicContact CD2-CE2 3.52Å; F97-F105 AromaticContact CD2-CZ 3.95Å; F97-F105 HydrophobicContact CD2-CZ 3.95Å; F97-F105 HydrophobicContact CE2-CD2 4.17Å; F97-F105 HydrophobicContact CE2-CE2 4.09Å; F97-F105 HydrophobicContact CG-CE2 4.41Å; N101-F105 VanDerWaalsContact OD1-CE2 3.3Å; N101-F105 WeakPolarHBondContact OD1-CE2 3.45Å; K102-F105 WeakPolarHBondContact O-CD2 3.45Å; K102-F105 PolarHBondContact O-N 3.17Å; F105-D107 VanDerWaalsContact C-N 3.34Å; F105-D107 PolarHBondContact O-N 3.35Å; F105-F108 HydrophobicContact CB-CB 4.16Å; F105-F108 PolarHBondContact O-N 2.99Å; F105-F115 HydrophobicContact CB-CE2 3.76Å; F105-F115 HydrophobicContact CB-CZ 4.07Å; F105-F115 HydrophobicContact CD2-CZ 4.45Å; F105-F115 HydrophobicContact CG-CE2 4.28Å; F105-F115 HydrophobicContact CG-CZ 4.11Å |
| 106 | K | 87.8 | Confident | 85.4 | Confident | 103 Ų | 103 | 64 Ų | 64 | 45% | 0.448 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -42 | -170.8 | 179.9 | 179.9 | 173.3 | -174.4 | 0 | 113.7 | E88 | E88-K106 HydrophobicContact CG-CD 4.31Å; E88-K106 PolarHBondContact O-N 3.34Å; E88-K106 IonicContact OE1-NZ 3.06Å; E88-K106 PolarHBondContact OE1-NZ 3.44Å; E88-K106 WeakPolarHBondContact OE2-CD 3.5Å; E88-K106 IonicContact OE2-NZ 2.8Å; E88-K106 PolarHBondContact OE2-NZ 3.13Å |
| 107 | D | 85.5 | Confident | 85.4 | Confident | 102 Ų | 102 | 63.2 Ų | 63.2 | 55% | 0.545 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 5.3 | -175 | -56 | -40.2 | 0 | 0 | 0 | 112.9 | F105 Q109 F115 | F105-D107 VanDerWaalsContact C-N 3.34Å; F105-D107 PolarHBondContact O-N 3.35Å; D107-Q109 PolarHBondContact O-N 2.92Å; D107-F115 HydrophobicContact CB-CD2 4.22Å |
| 108 | F | 87.8 | Confident | 85.4 | Confident | 16 Ų | 16 | 64.1 Ų | 64.1 | 7% | 0.07 | 37% | 0.365 | C | S | . | . | trans | -87.1 | 107.1 | -179.7 | -166 | -85.4 | 0 | 0 | 0 | 110.5 | L77 K102 H103 F105 F115 | L77-F108 HydrophobicContact CD1-CE2 4.2Å; L77-F108 HydrophobicContact CD2-CE2 4.36Å; K102-F108 HydrophobicContact CB-CD1 4.48Å; K102-F108 HydrophobicContact CB-CD2 4.24Å; K102-F108 HydrophobicContact CB-CE1 4.28Å; K102-F108 HydrophobicContact CB-CE2 4.02Å; K102-F108 HydrophobicContact CB-CG 4.49Å; K102-F108 HydrophobicContact CB-CZ 4.05Å; K102-F108 HydrophobicContact CD-CE1 4.14Å; K102-F108 HydrophobicContact CD-CE2 4.35Å; K102-F108 HydrophobicContact CD-CZ 3.73Å; K102-F108 HydrophobicContact CG-CE1 4Å; K102-F108 HydrophobicContact CG-CE2 4.45Å; K102-F108 HydrophobicContact CG-CZ 3.98Å; K102-F108 WeakPolarHBondContact O-CB 3.43Å; K102-F108 WeakPolarHBondContact O-CD1 3.48Å; K102-F108 WeakPolarHBondContact O-CG 3.29Å; H103-F108 AromaticContact CE1-CE1 3.82Å; H103-F108 AromaticContact ND1-CD1 3.84Å; H103-F108 AromaticContact ND1-CE1 3.65Å; F105-F108 HydrophobicContact CB-CB 4.16Å; F105-F108 PolarHBondContact O-N 2.99Å; F108-F115 HydrophobicContact CB-CD2 4.04Å; F108-F115 HydrophobicContact CB-CE2 4.26Å; F108-F115 HydrophobicContact CD2-CB 4.17Å; F108-F115 HydrophobicContact CD2-CD1 4Å; F108-F115 HydrophobicContact CD2-CD2 4.09Å; F108-F115 HydrophobicContact CD2-CE1 4.43Å; F108-F115 HydrophobicContact CD2-CE2 4.5Å; F108-F115 AromaticContact CD2-CG 3.82Å; F108-F115 HydrophobicContact CD2-CG 3.82Å | ||
| 109 | Q | 81.6 | Confident | 85.5 | Confident | 153 Ų | 153 | 62.5 Ų | 62.5 | 72% | 0.715 | 36% | 0.356 | S | S | * | . | trans | -126.7 | 143.9 | 178.2 | -61.6 | -174.7 | 7.6 | 0 | 0 | 111.6 | D107 D111 G112 | D107-Q109 PolarHBondContact O-N 2.92Å; Q109-D111 PolarHBondContact O-N 2.99Å; Q109-G112 WeakPolarHBondContact O-CA 3.31Å; Q109-G112 PolarHBondContact O-N 3.46Å | ||
| 110 | G | 80.2 | Confident | 85.7 | Confident | 68 Ų | 68 | 61.1 Ų | 61.1 | 70% | 0.701 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | -125.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G112 | G110-G112 PolarHBondContact O-N 3.04Š|
| 111 | D | 69.6 | Low | 86 | Confident | 137 Ų | 137 | 55.3 Ų | 55.3 | 73% | 0.733 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -7.1 | 177.5 | -62.5 | -27.4 | 0 | 0 | 0 | 112.8 | W73 Q109 | W73-D111 PolarHBondContact NE1-O 2.57Å; Q109-D111 PolarHBondContact O-N 2.99Å |
| 112 | G | 70.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | 98.3 | 5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | W73 Q109 G110 G114 F115 | W73-G112 WeakPolarHBondContact CZ2-O 3.36Å; Q109-G112 WeakPolarHBondContact O-CA 3.31Å; Q109-G112 PolarHBondContact O-N 3.46Å; G110-G112 PolarHBondContact O-N 3.04Å; G112-G114 PolarHBondContact O-N 3.36Å; G112-F115 WeakPolarHBondContact O-CB 3.49Å; G112-F115 PolarHBondContact O-N 3.37Å | ||
| 113 | D | 70 | Confident | 86.6 | Confident | 135 Ų | 135 | 52.4 Ų | 52.4 | 72% | 0.722 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 122.5 | 177.5 | -86.4 | -14.6 | 0 | 0 | 0 | 111.5 | ||
| 114 | G | 77.1 | Confident | 86.9 | Confident | 66 Ų | 66 | 46.5 Ų | 46.5 | 68% | 0.68 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | -0.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | G112 | G112-G114 PolarHBondContact O-N 3.36Š|
| 115 | F | 90 | Very high | 87.1 | Confident | 9 Ų | 9 | 42.5 Ų | 42.5 | 4% | 0.039 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -68.1 | -39.4 | 175.6 | 173.6 | -108.8 | 0 | 0 | 0 | 113.1 | W73 L77 K87 F97 F105 D107 F108 G112 | W73-F115 HydrophobicContact CZ2-CB 4.18Å; L77-F115 HydrophobicContact CD2-CD1 4.14Å; K87-F115 HydrophobicContact CB-CE2 4.45Å; K87-F115 HydrophobicContact CB-CZ 4.08Å; K87-F115 HydrophobicContact CD-CE2 4.5Å; K87-F115 HydrophobicContact CD-CZ 4.24Å; K87-F115 HydrophobicContact CG-CE1 4.41Å; K87-F115 HydrophobicContact CG-CE2 4.33Å; K87-F115 HydrophobicContact CG-CZ 3.73Å; K87-F115 PolarHBondContact NZ-O 2.79Å; F97-F115 AromaticContact CD2-CE1 3.56Å; F97-F115 HydrophobicContact CD2-CE1 3.56Å; F97-F115 AromaticContact CD2-CZ 3.69Å; F97-F115 HydrophobicContact CD2-CZ 3.69Å; F97-F115 HydrophobicContact CE2-CD1 4.36Å; F97-F115 AromaticContact CE2-CE1 3.41Å; F97-F115 HydrophobicContact CE2-CE1 3.41Å; F97-F115 VanDerWaalsContact CE2-CE1 3.41Å; F97-F115 AromaticContact CE2-CZ 3.81Å; F97-F115 HydrophobicContact CE2-CZ 3.81Å; F97-F115 HydrophobicContact CG-CE1 4.41Å; F97-F115 HydrophobicContact CZ-CE1 4.17Å; F105-F115 HydrophobicContact CB-CE2 3.76Å; F105-F115 HydrophobicContact CB-CZ 4.07Å; F105-F115 HydrophobicContact CD2-CZ 4.45Å; F105-F115 HydrophobicContact CG-CE2 4.28Å; F105-F115 HydrophobicContact CG-CZ 4.11Å; D107-F115 HydrophobicContact CB-CD2 4.22Å; F108-F115 HydrophobicContact CB-CD2 4.04Å; F108-F115 HydrophobicContact CB-CE2 4.26Å; F108-F115 HydrophobicContact CD2-CB 4.17Å; F108-F115 HydrophobicContact CD2-CD1 4Å; F108-F115 HydrophobicContact CD2-CD2 4.09Å; F108-F115 HydrophobicContact CD2-CE1 4.43Å; F108-F115 HydrophobicContact CD2-CE2 4.5Å; F108-F115 AromaticContact CD2-CG 3.82Å; F108-F115 HydrophobicContact CD2-CG 3.82Å; G112-F115 WeakPolarHBondContact O-CB 3.49Å; G112-F115 PolarHBondContact O-N 3.37Å |
| 116 | L | 92.1 | Very high | 87.2 | Confident | 9 Ų | 9 | 43.8 Ų | 43.8 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -94.4 | 133 | 172.8 | -57.5 | 175.6 | 0 | 0 | 0 | 109.2 | W73 L76 L77 A80 L85 E120 C121 I124 | W73-L116 HydrophobicContact CH2-CB 3.67Å; W73-L116 HydrophobicContact CH2-CD1 3.99Å; W73-L116 HydrophobicContact CH2-CG 3.8Å; W73-L116 HydrophobicContact CZ2-CD1 4.4Å; W73-L116 HydrophobicContact CZ2-CG 4.21Å; W73-L116 HydrophobicContact CZ3-CB 4.31Å; W73-L116 HydrophobicContact CZ3-CD1 4.4Å; L76-L116 HydrophobicContact CB-CD1 3.98Å; L77-L116 HydrophobicContact CD2-CD1 4.18Å; L77-L116 HydrophobicContact CD2-CG 4.44Å; A80-L116 HydrophobicContact CB-CD1 4.28Å; A80-L116 HydrophobicContact CB-CD2 4.14Å; L85-L116 HydrophobicContact CD1-CD2 4.13Å; L116-E120 WeakPolarHBondContact CA-OE2 3.46Å; L116-E120 HydrophobicContact CB-CB 4.49Å; L116-C121 VanDerWaalsContact CB-SG 3.58Å; L116-I124 HydrophobicContact CD1-CD1 4.01Å |
| 117 | S | 91.9 | Very high | 87.4 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 6% | 0.056 | 24% | 0.236 | C | C | . | . | trans | -68.3 | 157.6 | 171.6 | 77.5 | 0 | 0 | 0 | 0 | 110.3 | A119 E120 C121 H199 | S117-A119 PolarHBondContact O-N 3.48Å; S117-A119 PolarHBondContact OG-N 2.77Å; S117-E120 PolarHBondContact N-OE2 3.24Å; S117-E120 WeakPolarHBondContact O-CB 3.48Å; S117-E120 PolarHBondContact O-N 2.98Å; S117-E120 VanDerWaalsContact O-N 3.11Å; S117-E120 VanDerWaalsContact OG-CG 3.29Å; S117-E120 WeakPolarHBondContact OG-CG 3.42Å; S117-E120 PolarHBondContact OG-N 3.45Å; S117-E120 VanDerWaalsContact OG-N 3.07Å; S117-C121 PolarHBondContact O-N 3Å; S117-C121 PolarHBondContact O-SG 2.93Å; S117-H199 WeakPolarHBondContact CB-CE1 3.28Å; S117-H199 WeakPolarHBondContact CB-ND1 3.07Å | ||
| 118 | M | 90.4 | Very high | 87.7 | Confident | 24 Ų | 24 | 35.7 Ų | 35.7 | 12% | 0.118 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.4 | -34.2 | 175.4 | -168.3 | -178.2 | -168.9 | 0 | 0 | 111.9 | L15 C121 Q122 H172 R542 | L15-M118 HydrophobicContact CD2-CE 3.82Å; L15-M118 HydrophobicContact CD2-CG 3.99Å; M118-C121 PolarHBondContact O-N 3.03Å; M118-Q122 WeakPolarHBondContact O-CB 3.38Å; M118-Q122 VanDerWaalsContact O-CG 3.24Å; M118-Q122 WeakPolarHBondContact O-CG 3.45Å; M118-Q122 PolarHBondContact O-N 2.77Å; M118-H172 HydrophobicContact CE-CB 4.32Å; M118-H172 HydrophobicContact SD-CB 3.66Å; M118-R542 PolarHBondContact SD-NH1 2.87Å |
| 119 | A | 93.6 | Very high | 88 | Confident | 3 Ų | 3 | 35 Ų | 35 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.1 | -42.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S117 Q122 Y123 H199 A545 | S117-A119 PolarHBondContact O-N 3.48Å; S117-A119 PolarHBondContact OG-N 2.77Å; A119-Q122 PolarHBondContact O-N 3.38Å; A119-Y123 WeakPolarHBondContact O-CB 3.27Å; A119-Y123 PolarHBondContact O-N 3.09Å; A119-H199 WeakPolarHBondContact CB-O 3.36Å; A119-A545 HydrophobicContact CB-CB 4.07Å |
| 120 | E | 94.2 | Very high | 88.3 | Confident | 16 Ų | 16 | 30.1 Ų | 30.1 | 8% | 0.075 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.6 | -45.1 | 175 | -71.2 | 166.8 | 159 | 0 | 0 | 111.4 | L85 K87 L116 S117 Q122 Y123 I124 | L85-E120 HydrophobicContact CD1-CB 4.31Å; L85-E120 HydrophobicContact CD1-CG 4.3Å; K87-E120 VanDerWaalsContact CE-OE1 3.25Å; K87-E120 WeakPolarHBondContact CE-OE1 3.42Å; K87-E120 IonicContact NZ-OE1 2.63Å; K87-E120 PolarHBondContact NZ-OE1 2.98Å; K87-E120 IonicContact NZ-OE2 3.66Å; K87-E120 PolarHBondContact NZ-OE2 3.18Å; L116-E120 WeakPolarHBondContact CA-OE2 3.46Å; L116-E120 HydrophobicContact CB-CB 4.49Å; S117-E120 PolarHBondContact N-OE2 3.24Å; S117-E120 WeakPolarHBondContact O-CB 3.48Å; S117-E120 PolarHBondContact O-N 2.98Å; S117-E120 VanDerWaalsContact O-N 3.11Å; S117-E120 VanDerWaalsContact OG-CG 3.29Å; S117-E120 WeakPolarHBondContact OG-CG 3.42Å; S117-E120 PolarHBondContact OG-N 3.45Å; S117-E120 VanDerWaalsContact OG-N 3.07Å; E120-Q122 VanDerWaalsContact C-N 3.33Å; E120-Q122 PolarHBondContact O-N 3.15Å; E120-Y123 PolarHBondContact O-N 2.93Å; E120-I124 WeakPolarHBondContact O-CD1 3.37Å; E120-I124 VanDerWaalsContact O-CG1 3.24Å; E120-I124 WeakPolarHBondContact O-CG1 3.46Å; E120-I124 PolarHBondContact O-N 3.46Å |
| 121 | C | 94.8 | Very high | 88.6 | Confident | 7 Ų | 7 | 28 Ų | 28 | 5% | 0.047 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.2 | -43.6 | 177 | -65.5 | 0 | 0 | 0 | 0 | 112.1 | L15 L76 L116 S117 M118 I124 I125 | L15-C121 HydrophobicContact CD1-CB 3.81Å; L76-C121 HydrophobicContact CD1-CB 4.33Å; L76-C121 HydrophobicContact CD2-CB 4.17Å; L116-C121 VanDerWaalsContact CB-SG 3.58Å; S117-C121 PolarHBondContact O-N 3Å; S117-C121 PolarHBondContact O-SG 2.93Å; M118-C121 PolarHBondContact O-N 3.03Å; C121-I124 PolarHBondContact O-N 2.97Å; C121-I125 WeakPolarHBondContact O-CG1 3.47Å; C121-I125 PolarHBondContact O-N 3.47Å |
| 122 | Q | 95.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.8 | -37.6 | 176.8 | -73.5 | 171 | -20.4 | 0 | 0 | 112.3 | L15 V16 M118 A119 E120 I125 K126 P169 L170 R542 | L15-Q122 HydrophobicContact CB-CG 4.03Å; L15-Q122 HydrophobicContact CD2-CG 4.42Å; L15-Q122 PolarHBondContact O-NE2 2.72Å; V16-Q122 HydrophobicContact CG2-CB 4.45Å; V16-Q122 HydrophobicContact CG2-CG 4.39Å; M118-Q122 WeakPolarHBondContact O-CB 3.38Å; M118-Q122 VanDerWaalsContact O-CG 3.24Å; M118-Q122 WeakPolarHBondContact O-CG 3.45Å; M118-Q122 PolarHBondContact O-N 2.77Å; A119-Q122 PolarHBondContact O-N 3.38Å; E120-Q122 VanDerWaalsContact C-N 3.33Å; E120-Q122 PolarHBondContact O-N 3.15Å; Q122-I125 PolarHBondContact O-N 3.19Å; Q122-K126 WeakPolarHBondContact O-CB 3.43Å; Q122-K126 PolarHBondContact O-N 2.77Å; Q122-P169 HydrophobicContact CB-CB 4.07Å; Q122-P169 HydrophobicContact CG-CB 3.94Å; Q122-L170 PolarHBondContact NE2-O 2.98Å; Q122-R542 VanDerWaalsContact OE1-NE 3.1Å; Q122-R542 VanDerWaalsContact OE1-NH1 3.08Å |
| 123 | Y | 94.6 | Very high | 90.4 | Very high | 31 Ų | 31 | 24.3 Ų | 24.3 | 12% | 0.122 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.7 | -42.3 | 174.4 | 178.3 | -112.9 | 0 | 0 | 0 | 112.1 | V83 A119 E120 K126 H127 R274 A545 P547 | V83-Y123 HydrophobicContact CG1-CD1 4.13Å; V83-Y123 HydrophobicContact CG1-CE1 3.55Å; A119-Y123 WeakPolarHBondContact O-CB 3.27Å; A119-Y123 PolarHBondContact O-N 3.09Å; E120-Y123 PolarHBondContact O-N 2.93Å; Y123-K126 WeakPolarHBondContact O-CB 3.47Å; Y123-K126 PolarHBondContact O-N 2.81Å; Y123-H127 WeakPolarHBondContact O-CB 3.43Å; Y123-H127 PolarHBondContact O-N 3.22Å; Y123-R274 PolarHBondContact OH-NH1 3Å; Y123-A545 WeakPolarHBondContact CD2-O 3.35Å; Y123-A545 WeakPolarHBondContact CE2-O 3.48Å; Y123-P547 HydrophobicContact CD1-CG 4.25Å; Y123-P547 HydrophobicContact CE1-CG 3.64Å; Y123-P547 HydrophobicContact CE2-CG 4.2Å; Y123-P547 VanDerWaalsContact CZ-CD 3.44Å |
| 124 | I | 94.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.3 | -48 | 175 | -68.5 | 159.3 | 0 | 0 | 0 | 110 | L76 A80 V83 L85 L116 E120 C121 K126 H127 E128 | L76-I124 HydrophobicContact CD2-CG2 4.33Å; A80-I124 HydrophobicContact CB-CD1 3.83Å; V83-I124 HydrophobicContact CG2-CG1 4.34Å; L85-I124 HydrophobicContact CD1-CD1 4.23Å; L116-I124 HydrophobicContact CD1-CD1 4.01Å; E120-I124 WeakPolarHBondContact O-CD1 3.37Å; E120-I124 VanDerWaalsContact O-CG1 3.24Å; E120-I124 WeakPolarHBondContact O-CG1 3.46Å; E120-I124 PolarHBondContact O-N 3.46Å; C121-I124 PolarHBondContact O-N 2.97Å; I124-K126 PolarHBondContact O-N 3.02Å; I124-H127 WeakPolarHBondContact O-CB 3.4Å; I124-H127 PolarHBondContact O-N 3.21Å; I124-H127 VanDerWaalsContact O-N 3.16Å; I124-E128 HydrophobicContact CG2-CG 4.44Å; I124-E128 VanDerWaalsContact O-CG 3.27Å; I124-E128 WeakPolarHBondContact O-CG 3.29Å; I124-E128 PolarHBondContact O-N 3Å |
| 125 | I | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.6 | -43.8 | 177.5 | -70 | 172.3 | 0 | 0 | 0 | 111.5 | L15 V16 L47 V69 L76 C121 Q122 H127 E128 L129 | L15-I125 HydrophobicContact CB-CD1 3.7Å; L15-I125 HydrophobicContact CD1-CD1 3.46Å; L15-I125 VanDerWaalsContact CD1-CD1 3.46Å; L15-I125 HydrophobicContact CG-CD1 4.18Å; V16-I125 HydrophobicContact CB-CG2 3.98Å; V16-I125 HydrophobicContact CG2-CB 4.05Å; V16-I125 HydrophobicContact CG2-CG2 3.65Å; L47-I125 HydrophobicContact CD1-CG2 4.19Å; L47-I125 HydrophobicContact CD2-CG1 4.24Å; V69-I125 HydrophobicContact CB-CG2 4.48Å; V69-I125 HydrophobicContact CG1-CG2 3.79Å; L76-I125 HydrophobicContact CD2-CD1 4.42Å; L76-I125 HydrophobicContact CD2-CG1 4.25Å; C121-I125 WeakPolarHBondContact O-CG1 3.47Å; C121-I125 PolarHBondContact O-N 3.47Å; Q122-I125 PolarHBondContact O-N 3.19Å; I125-H127 VanDerWaalsContact C-N 3.31Å; I125-H127 PolarHBondContact O-N 3.04Å; I125-E128 PolarHBondContact O-N 2.72Å; I125-L129 HydrophobicContact CG2-CD1 3.83Å; I125-L129 HydrophobicContact CG2-CG 4.34Å; I125-L129 WeakPolarHBondContact O-CB 3.25Å; I125-L129 VanDerWaalsContact O-CG 3.28Å; I125-L129 WeakPolarHBondContact O-CG 2.9Å; I125-L129 PolarHBondContact O-N 2.97Å |
| 126 | K | 94.3 | Very high | 91.5 | Very high | 29 Ų | 29 | 26.3 Ų | 26.3 | 13% | 0.126 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -55.5 | -49 | 173.4 | 167.8 | -179.9 | 170.3 | -169.1 | 0 | 110.5 | Q122 Y123 I124 E128 L129 E130 M167 F544 D546 | Q122-K126 WeakPolarHBondContact O-CB 3.43Å; Q122-K126 PolarHBondContact O-N 2.77Å; Y123-K126 WeakPolarHBondContact O-CB 3.47Å; Y123-K126 PolarHBondContact O-N 2.81Å; I124-K126 PolarHBondContact O-N 3.02Å; K126-E128 PolarHBondContact O-N 3Å; K126-L129 PolarHBondContact O-N 2.8Å; K126-E130 WeakPolarHBondContact CE-OE1 3.34Å; K126-E130 HydrophobicContact CG-CG 4.25Å; K126-E130 VanDerWaalsContact O-CB 3.28Å; K126-E130 WeakPolarHBondContact O-CB 3.43Å; K126-E130 WeakPolarHBondContact O-CG 3.43Å; K126-E130 PolarHBondContact O-N 3.34Å; K126-M167 HydrophobicContact CB-CE 4.47Å; K126-M167 HydrophobicContact CG-CE 3.95Å; K126-F544 HydrophobicContact CB-CD1 3.8Å; K126-F544 HydrophobicContact CB-CE1 3.71Å; K126-F544 HydrophobicContact CB-CG 4.42Å; K126-F544 HydrophobicContact CB-CZ 4.23Å; K126-F544 HydrophobicContact CD-CB 3.62Å; K126-F544 HydrophobicContact CD-CD1 3.68Å; K126-F544 HydrophobicContact CD-CD2 3.77Å; K126-F544 HydrophobicContact CD-CE1 4.23Å; K126-F544 HydrophobicContact CD-CE2 4.28Å; K126-F544 HydrophobicContact CD-CG 3.42Å; K126-F544 VanDerWaalsContact CD-CG 3.42Å; K126-F544 HydrophobicContact CG-CD1 4.27Å; K126-F544 HydrophobicContact CG-CE1 4.38Å; K126-F544 HydrophobicContact CG-CG 4.4Å; K126-D546 IonicContact NZ-OD1 2.82Å; K126-D546 PolarHBondContact NZ-OD1 2.99Å; K126-D546 VanDerWaalsContact NZ-OD1 3.14Å |
| 127 | H | 91.5 | Very high | 91.3 | Very high | 28 Ų | 28 | 27.9 Ų | 27.9 | 13% | 0.13 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55.7 | -54.7 | -179.8 | -176.5 | 63 | 0 | 0 | 0 | 110.3 | V83 Y123 I124 I125 L129 E130 T131 | V83-H127 HydrophobicContact CG2-CB 4.09Å; V83-H127 VanDerWaalsContact CG2-CD2 3.44Å; V83-H127 WeakPolarHBondContact CG2-CD2 3.23Å; Y123-H127 WeakPolarHBondContact O-CB 3.43Å; Y123-H127 PolarHBondContact O-N 3.22Å; I124-H127 WeakPolarHBondContact O-CB 3.4Å; I124-H127 PolarHBondContact O-N 3.21Å; I124-H127 VanDerWaalsContact O-N 3.16Å; I125-H127 VanDerWaalsContact C-N 3.31Å; I125-H127 PolarHBondContact O-N 3.04Å; H127-L129 VanDerWaalsContact C-N 3.33Å; H127-L129 PolarHBondContact O-N 3.19Å; H127-E130 CarbonylContact O-C 3.57Å; H127-E130 WeakPolarHBondContact O-CA 2.86Å; H127-E130 PolarHBondContact O-N 3.42Å; H127-T131 VanDerWaalsContact CE1-CG2 3.5Å; H127-T131 WeakPolarHBondContact CE1-CG2 3.28Å; H127-T131 WeakPolarHBondContact O-CG2 3.48Å; H127-T131 PolarHBondContact O-N 2.94Å; H127-T131 PolarHBondContact O-OG1 3.37Å |
| 128 | E | 92 | Very high | 91.1 | Very high | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.037 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.6 | -35.8 | -178.2 | -63.4 | -69.1 | -174.8 | 0 | 0 | 114 | Q40 A45 L47 R75 I124 I125 K126 T131 L132 | Q40-E128 PolarHBondContact NE2-OE1 2.73Å; Q40-E128 PolarHBondContact NE2-OE2 3.42Å; A45-E128 HydrophobicContact CB-CB 4.5Å; L47-E128 HydrophobicContact CD1-CB 4.23Å; R75-E128 IonicContact CZ-OE1 3.12Å; R75-E128 IonicContact CZ-OE2 2.9Å; R75-E128 IonicContact NH1-OE1 2.75Å; R75-E128 PolarHBondContact NH1-OE1 2.98Å; R75-E128 IonicContact NH2-OE1 2.83Å; R75-E128 PolarHBondContact NH2-OE1 3.42Å; R75-E128 IonicContact NH2-OE2 3.68Å; R75-E128 PolarHBondContact NH2-OE2 3.49Å; I124-E128 HydrophobicContact CG2-CG 4.44Å; I124-E128 VanDerWaalsContact O-CG 3.27Å; I124-E128 WeakPolarHBondContact O-CG 3.29Å; I124-E128 PolarHBondContact O-N 3Å; I125-E128 PolarHBondContact O-N 2.72Å; K126-E128 PolarHBondContact O-N 3Å; E128-T131 WeakPolarHBondContact CA-OG1 3.14Å; E128-T131 PolarHBondContact O-OG1 3.26Å; E128-L132 PolarHBondContact O-N 2.97Å |
| 129 | L | 93 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.4 | -43.3 | 173.1 | -70.8 | 172.9 | 0 | 0 | 0 | 111 | V16 L18 I36 L47 V69 I125 K126 H127 L132 I155 M167 | V16-L129 HydrophobicContact CG1-CD1 4.47Å; L18-L129 HydrophobicContact CD2-CD1 4.37Å; I36-L129 HydrophobicContact CD1-CD2 4.07Å; I36-L129 HydrophobicContact CG1-CD2 3.94Å; I36-L129 HydrophobicContact CG2-CD2 4.11Å; L47-L129 HydrophobicContact CD1-CD2 3.91Å; L47-L129 HydrophobicContact CD1-CG 3.96Å; V69-L129 HydrophobicContact CG1-CD1 4.45Å; I125-L129 HydrophobicContact CG2-CD1 3.83Å; I125-L129 HydrophobicContact CG2-CG 4.34Å; I125-L129 WeakPolarHBondContact O-CB 3.25Å; I125-L129 VanDerWaalsContact O-CG 3.28Å; I125-L129 WeakPolarHBondContact O-CG 2.9Å; I125-L129 PolarHBondContact O-N 2.97Å; K126-L129 PolarHBondContact O-N 2.8Å; H127-L129 VanDerWaalsContact C-N 3.33Å; H127-L129 PolarHBondContact O-N 3.19Å; L129-L132 VanDerWaalsContact O-CB 3.28Å; L129-L132 WeakPolarHBondContact O-CB 3.36Å; L129-L132 PolarHBondContact O-N 3.48Å; L129-I155 HydrophobicContact CB-CG1 4.19Å; L129-I155 WeakPolarHBondContact O-CG1 3.28Å; L129-M167 HydrophobicContact CB-SD 4.36Å; L129-M167 HydrophobicContact CD1-SD 3.86Å |
| 130 | E | 88.9 | Confident | 91.1 | Very high | 51 Ų | 51 | 34.6 Ų | 34.6 | 24% | 0.238 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.5 | -34.5 | 179.3 | -79.7 | -177.2 | 177.8 | 0 | 0 | 112.5 | K126 H127 L132 R133 S153 M167 P283 | K126-E130 WeakPolarHBondContact CE-OE1 3.34Å; K126-E130 HydrophobicContact CG-CG 4.25Å; K126-E130 VanDerWaalsContact O-CB 3.28Å; K126-E130 WeakPolarHBondContact O-CB 3.43Å; K126-E130 WeakPolarHBondContact O-CG 3.43Å; K126-E130 PolarHBondContact O-N 3.34Å; H127-E130 CarbonylContact O-C 3.57Å; H127-E130 WeakPolarHBondContact O-CA 2.86Å; H127-E130 PolarHBondContact O-N 3.42Å; E130-L132 VanDerWaalsContact C-N 3.31Å; E130-R133 PolarHBondContact O-NH1 3Å; E130-S153 PolarHBondContact O-OG 2.91Å; E130-M167 HydrophobicContact CG-CE 4.44Å; E130-P283 HydrophobicContact CB-CG 3.94Å; E130-P283 HydrophobicContact CG-CG 3.77Å |
| 131 | T | 87 | Confident | 91.1 | Very high | 24 Ų | 24 | 35.4 Ų | 35.4 | 15% | 0.147 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -72.6 | -20.9 | 177.7 | 69.2 | 0 | 0 | 0 | 0 | 112.4 | H127 E128 R133 E280 | H127-T131 VanDerWaalsContact CE1-CG2 3.5Å; H127-T131 WeakPolarHBondContact CE1-CG2 3.28Å; H127-T131 WeakPolarHBondContact O-CG2 3.48Å; H127-T131 PolarHBondContact O-N 2.94Å; H127-T131 PolarHBondContact O-OG1 3.37Å; E128-T131 WeakPolarHBondContact CA-OG1 3.14Å; E128-T131 PolarHBondContact O-OG1 3.26Å; T131-R133 WeakPolarHBondContact O-CD 3.3Å; T131-R133 VanDerWaalsContact O-CG 3.24Å; T131-R133 WeakPolarHBondContact O-CG 2.81Å; T131-R133 VanDerWaalsContact O-CZ 3.31Å; T131-R133 PolarHBondContact O-N 3.3Å; T131-R133 PolarHBondContact O-NE 3.2Å; T131-R133 PolarHBondContact O-NH1 2.95Å; T131-E280 WeakPolarHBondContact CB-OE2 3.47Å; T131-E280 VanDerWaalsContact CG2-CD 3.42Å; T131-E280 WeakPolarHBondContact CG2-OE2 3.37Å |
| 132 | L | 89.8 | Confident | 90.8 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | trans | -56.6 | 112.3 | -178.5 | -163.4 | 72 | 0 | 0 | 0 | 112.4 | R35 I36 A45 E128 L129 E130 S153 I154 | R35-L132 HydrophobicContact CB-CD2 4.1Å; I36-L132 HydrophobicContact CG1-CD2 4.5Å; A45-L132 HydrophobicContact CB-CD1 4.34Å; E128-L132 PolarHBondContact O-N 2.97Å; L129-L132 VanDerWaalsContact O-CB 3.28Å; L129-L132 WeakPolarHBondContact O-CB 3.36Å; L129-L132 PolarHBondContact O-N 3.48Å; E130-L132 VanDerWaalsContact C-N 3.31Å; L132-S153 WeakPolarHBondContact O-CA 3.41Å; L132-I154 HydrophobicContact CD2-CB 4.4Å; L132-I154 HydrophobicContact CD2-CD1 4.05Å; L132-I154 HydrophobicContact CG-CD1 4Å; L132-I154 PolarHBondContact O-N 3.39Å | ||
| 133 | R | 87.3 | Confident | 90.6 | Very high | 52 Ų | 52 | 38.5 Ų | 38.5 | 20% | 0.196 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -107 | 145.7 | -177.4 | -56.4 | -51.1 | -179.5 | -120.7 | -3.1 | 113 | R35 E130 T131 G151 K152 E280 | R35-R133 PolarHBondContact NH2-O 3.03Å; E130-R133 PolarHBondContact O-NH1 3Å; T131-R133 WeakPolarHBondContact O-CD 3.3Å; T131-R133 VanDerWaalsContact O-CG 3.24Å; T131-R133 WeakPolarHBondContact O-CG 2.81Å; T131-R133 VanDerWaalsContact O-CZ 3.31Å; T131-R133 PolarHBondContact O-N 3.3Å; T131-R133 PolarHBondContact O-NE 3.2Å; T131-R133 PolarHBondContact O-NH1 2.95Å; R133-G151 VanDerWaalsContact CD-O 3.32Å; R133-G151 WeakPolarHBondContact CD-O 3.21Å; R133-K152 WeakPolarHBondContact CA-O 3.01Å; R133-E280 IonicContact NH2-OE2 2.86Å |
| 134 | A | 88.9 | Confident | 90.2 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | trans | -66.4 | 139.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L148 G151 K152 I154 | A134-L148 HydrophobicContact CB-CB 3.9Å; A134-L148 HydrophobicContact CB-CD1 4.15Å; A134-L148 HydrophobicContact CB-CD2 4.19Å; A134-L148 HydrophobicContact CB-CG 4.3Å; A134-G151 PolarHBondContact O-N 3.26Å; A134-K152 PolarHBondContact N-O 3.31Å; A134-I154 HydrophobicContact CB-CG1 4.4Å | ||
| 135 | K | 84.1 | Confident | 89.9 | Confident | 99 Ų | 99 | 47.5 Ų | 47.5 | 43% | 0.43 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -110.3 | -78 | 178.7 | -69.9 | -174 | 174.8 | -175.1 | 0 | 109.1 | A42 G43 E137 P150 | A42-K135 PolarHBondContact O-NZ 2.88Å; G43-K135 VanDerWaalsContact CA-NZ 3.27Å; K135-E137 PolarHBondContact N-OE2 2.93Å; K135-P150 WeakPolarHBondContact O-CG 3.33Å |
| 136 | D | 86 | Confident | 89.6 | Confident | 153 Ų | 153 | 47.6 Ų | 47.6 | 82% | 0.818 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -98 | -12 | -176 | -52.9 | -47.6 | 0 | 0 | 0 | 112.1 | T138 | D136-T138 PolarHBondContact O-N 3.44Š|
| 137 | E | 88.3 | Confident | 89.4 | Confident | 41 Ų | 41 | 53.2 Ų | 53.2 | 19% | 0.192 | 28% | 0.277 | C | S | . | . | trans | -72.5 | 128.4 | -176 | -58.5 | 99.1 | 153.1 | 0 | 0 | 112.6 | W31 R35 K135 L148 | W31-E137 HydrophobicContact CZ2-CG 4.12Å; W31-E137 PolarHBondContact NE1-OE1 3.21Å; W31-E137 VanDerWaalsContact NE1-OE1 3.12Å; R35-E137 IonicContact CZ-OE1 2.79Å; R35-E137 IonicContact NH1-OE1 3.38Å; R35-E137 PolarHBondContact NH1-OE1 2.89Å; R35-E137 IonicContact NH1-OE2 3.88Å; R35-E137 PolarHBondContact NH1-OE2 3.25Å; K135-E137 PolarHBondContact N-OE2 2.93Å; E137-L148 HydrophobicContact CB-CB 4.48Å; E137-L148 HydrophobicContact CB-CD1 3.97Å; E137-L148 CarbonylContact O-C 3.5Å; E137-L148 VanDerWaalsContact O-CB 3.26Å; E137-L148 WeakPolarHBondContact O-CB 3.45Å | ||
| 138 | T | 88.7 | Confident | 89.2 | Confident | 96 Ų | 96 | 52.3 Ų | 52.3 | 59% | 0.589 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -89.9 | -20.9 | 175.9 | 58.5 | 0 | 0 | 0 | 0 | 113.1 | D136 K147 L148 | D136-T138 PolarHBondContact O-N 3.44Å; T138-K147 CarbonylContact O-C 3.6Å; T138-K147 WeakPolarHBondContact O-CA 3.37Å; T138-L148 CarbonylContact C-O 3.44Å; T138-L148 PolarHBondContact O-N 2.79Å |
| 139 | H | 91.7 | Very high | 88.9 | Confident | 80 Ų | 80 | 56 Ų | 56 | 37% | 0.37 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 161 | 178.5 | 60.5 | -72.9 | 0 | 0 | 0 | 110.3 | A146 | H139-A146 CarbonylContact C-O 3.53Å; H139-A146 VanDerWaalsContact CA-O 3.28Å; H139-A146 WeakPolarHBondContact CA-O 3.49Å |
| 140 | V | 92.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 128.5 | 170.2 | 179 | 0 | 0 | 0 | 0 | 108.2 | A28 W31 G142 Y143 A146 L148 R157 L158 I163 | A28-V140 HydrophobicContact CB-CG1 4.32Å; W31-V140 HydrophobicContact CE3-CG1 4.32Å; W31-V140 HydrophobicContact CZ3-CG1 4.02Å; W31-V140 HydrophobicContact CZ3-CG2 4.41Å; V140-G142 PolarHBondContact O-N 3.26Å; V140-Y143 HydrophobicContact CG1-CD2 4.15Å; V140-Y143 CarbonylContact O-C 3.53Å; V140-Y143 WeakPolarHBondContact O-CA 3.48Å; V140-Y143 PolarHBondContact O-N 3.22Å; V140-A146 HydrophobicContact CB-CB 3.94Å; V140-A146 HydrophobicContact CG2-CB 3.81Å; V140-A146 PolarHBondContact N-O 2.99Å; V140-L148 HydrophobicContact CG2-CD1 3.96Å; V140-L148 HydrophobicContact CG2-CG 4.2Å; V140-R157 HydrophobicContact CG2-CG 4.45Å; V140-L158 HydrophobicContact CG1-CD2 3.99Å; V140-L158 HydrophobicContact CG2-CD2 4.03Å; V140-I163 HydrophobicContact CG1-CD1 4.34Å |
| 141 | P | 92.6 | Very high | 88.2 | Confident | 33 Ų | 33 | 57.8 Ų | 57.8 | 21% | 0.214 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 135.1 | 179.2 | -30.4 | 38.6 | 0 | 0 | 0 | 112 | E27 A28 W31 Y143 | E27-P141 HydrophobicContact CB-CB 4.49Å; A28-P141 VanDerWaalsContact CB-O 3.31Å; A28-P141 WeakPolarHBondContact CB-O 3.38Å; W31-P141 HydrophobicContact CB-CB 4.45Å; W31-P141 HydrophobicContact CB-CG 3.84Å; W31-P141 HydrophobicContact CD2-CG 3.86Å; W31-P141 HydrophobicContact CE3-CG 4.41Å; W31-P141 HydrophobicContact CG-CG 3.58Å; P141-Y143 WeakPolarHBondContact O-CD2 3.27Å; P141-Y143 PolarHBondContact O-N 3.43Å |
| 142 | G | 89.4 | Confident | 88.1 | Confident | 21 Ų | 21 | 57.5 Ų | 57.5 | 22% | 0.216 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | -10.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | K25 V140 | K25-G142 VanDerWaalsContact CD-O 3.31Å; K25-G142 WeakPolarHBondContact CD-O 3.5Å; K25-G142 VanDerWaalsContact CE-O 3.31Å; K25-G142 WeakPolarHBondContact CE-O 3Å; K25-G142 PolarHBondContact NZ-O 2.82Å; V140-G142 PolarHBondContact O-N 3.26Å |
| 143 | Y | 90.8 | Very high | 88 | Confident | 51 Ų | 51 | 57.3 Ų | 57.3 | 20% | 0.2 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 87.8 | -178.9 | -65.1 | -89.8 | 0 | 0 | 0 | 112.1 | T24 K25 A28 V140 P141 N145 A146 I163 | T24-Y143 WeakPolarHBondContact CA-OH 3.44Å; T24-Y143 HydrophobicContact CG2-CE2 4.41Å; K25-Y143 HydrophobicContact CB-CE2 4.39Å; K25-Y143 HydrophobicContact CD-CE2 4.49Å; K25-Y143 HydrophobicContact CG-CE2 4.41Å; K25-Y143 PolarHBondContact N-OH 3.28Å; A28-Y143 HydrophobicContact CB-CD2 4.19Å; A28-Y143 HydrophobicContact CB-CE2 3.9Å; V140-Y143 HydrophobicContact CG1-CD2 4.15Å; V140-Y143 CarbonylContact O-C 3.53Å; V140-Y143 WeakPolarHBondContact O-CA 3.48Å; V140-Y143 PolarHBondContact O-N 3.22Å; P141-Y143 WeakPolarHBondContact O-CD2 3.27Å; P141-Y143 PolarHBondContact O-N 3.43Å; Y143-N145 PolarHBondContact O-N 3.35Å; Y143-A146 PolarHBondContact O-N 2.94Å; Y143-I163 HydrophobicContact CD1-CD1 3.98Å; Y143-I163 HydrophobicContact CD1-CG1 4.37Å; Y143-I163 HydrophobicContact CD2-CD1 3.77Å; Y143-I163 HydrophobicContact CE1-CD1 4.29Å; Y143-I163 HydrophobicContact CE1-CG1 4.25Å; Y143-I163 HydrophobicContact CE2-CD1 4.1Å; Y143-I163 HydrophobicContact CE2-CG1 4.45Å; Y143-I163 HydrophobicContact CE2-CG2 4.35Å; Y143-I163 HydrophobicContact CG-CD1 3.71Å |
| 144 | S | 87 | Confident | 88.2 | Confident | 88 Ų | 88 | 54.9 Ų | 54.9 | 62% | 0.615 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.2 | -28.8 | 176.7 | 53.7 | 0 | 0 | 0 | 0 | 113.8 | A146 | S144-A146 VanDerWaalsContact C-N 3.27Å; S144-A146 PolarHBondContact O-N 3.07Å |
| 145 | N | 88.7 | Confident | 88.4 | Confident | 135 Ų | 135 | 55 Ų | 55 | 72% | 0.722 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | -14.3 | 178.2 | -64.1 | -18.2 | 0 | 0 | 0 | 113.3 | Y143 K147 K161 | Y143-N145 PolarHBondContact O-N 3.35Å; N145-K147 PolarHBondContact O-N 3.14Å; N145-K161 WeakPolarHBondContact O-CE 3.46Å |
| 146 | A | 89.6 | Confident | 88.5 | Confident | 2 Ų | 2 | 54 Ų | 54 | 2% | 0.017 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 67.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | H139 V140 Y143 S144 L148 K161 I163 | H139-A146 CarbonylContact C-O 3.53Å; H139-A146 VanDerWaalsContact CA-O 3.28Å; H139-A146 WeakPolarHBondContact CA-O 3.49Å; V140-A146 HydrophobicContact CB-CB 3.94Å; V140-A146 HydrophobicContact CG2-CB 3.81Å; V140-A146 PolarHBondContact N-O 2.99Å; Y143-A146 PolarHBondContact O-N 2.94Å; S144-A146 VanDerWaalsContact C-N 3.27Å; S144-A146 PolarHBondContact O-N 3.07Å; A146-L148 PolarHBondContact O-N 2.8Å; A146-K161 HydrophobicContact CB-CG 4.08Å; A146-I163 HydrophobicContact CB-CD1 4.17Å |
| 147 | K | 88.6 | Confident | 88.7 | Confident | 147 Ų | 147 | 48.8 Ų | 48.8 | 64% | 0.639 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 133.4 | -179.3 | -63.2 | -175.6 | 179.1 | -177.5 | 0 | 112.5 | T138 N145 R157 | T138-K147 CarbonylContact O-C 3.6Å; T138-K147 WeakPolarHBondContact O-CA 3.37Å; N145-K147 PolarHBondContact O-N 3.14Å; K147-R157 PolarHBondContact O-NE 2.56Å; K147-R157 PolarHBondContact O-NH1 2.9Å; K147-R157 PolarHBondContact O-NH2 3.33Å |
| 148 | L | 88.9 | Confident | 88.9 | Confident | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.047 | 25% | 0.247 | C | C | . | . | trans | -112 | 151.6 | 171.7 | -68.4 | 173.9 | 0 | 0 | 0 | 109 | W31 A134 E137 T138 V140 A146 K152 R157 | W31-L148 HydrophobicContact CH2-CD1 3.78Å; W31-L148 HydrophobicContact CZ2-CD1 4.02Å; A134-L148 HydrophobicContact CB-CB 3.9Å; A134-L148 HydrophobicContact CB-CD1 4.15Å; A134-L148 HydrophobicContact CB-CD2 4.19Å; A134-L148 HydrophobicContact CB-CG 4.3Å; E137-L148 HydrophobicContact CB-CB 4.48Å; E137-L148 HydrophobicContact CB-CD1 3.97Å; E137-L148 CarbonylContact O-C 3.5Å; E137-L148 VanDerWaalsContact O-CB 3.26Å; E137-L148 WeakPolarHBondContact O-CB 3.45Å; T138-L148 CarbonylContact C-O 3.44Å; T138-L148 PolarHBondContact O-N 2.79Å; V140-L148 HydrophobicContact CG2-CD1 3.96Å; V140-L148 HydrophobicContact CG2-CG 4.2Å; A146-L148 PolarHBondContact O-N 2.8Å; L148-K152 HydrophobicContact CD2-CG 4.49Å; L148-R157 HydrophobicContact CD2-CB 3.86Å; L148-R157 HydrophobicContact CD2-CG 3.78Å | ||
| 149 | Y | 85.3 | Confident | 89 | Confident | 84 Ų | 84 | 45.5 Ų | 45.5 | 33% | 0.329 | 24% | 0.235 | S | C | . | . | trans | -140.5 | 156.3 | 173.3 | 53.8 | -99.6 | 0 | 0 | 0 | 108.1 | G151 K152 | Y149-G151 PolarHBondContact O-N 3.04Å; Y149-K152 HydrophobicContact CD1-CB 4.29Å; Y149-K152 HydrophobicContact CD2-CB 3.87Å; Y149-K152 HydrophobicContact CE1-CB 4.22Å; Y149-K152 HydrophobicContact CE1-CD 4.15Å; Y149-K152 HydrophobicContact CE1-CG 4.12Å; Y149-K152 HydrophobicContact CE2-CB 3.77Å; Y149-K152 HydrophobicContact CE2-CD 4.17Å; Y149-K152 HydrophobicContact CE2-CG 4.34Å; Y149-K152 HydrophobicContact CG-CB 4.13Å; Y149-K152 VanDerWaalsContact O-CB 3.26Å; Y149-K152 WeakPolarHBondContact O-CB 3.46Å; Y149-K152 PolarHBondContact O-N 3.06Å | ||
| 150 | P | 85.3 | Confident | 88.8 | Confident | 79 Ų | 79 | 45.2 Ų | 45.2 | 51% | 0.513 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 127.6 | -178.7 | -26.6 | 33.4 | 0 | 0 | 0 | 111.7 | K135 L289 | K135-P150 WeakPolarHBondContact O-CG 3.33Å; P150-L289 HydrophobicContact CB-CD2 4.12Å |
| 151 | G | 81.3 | Confident | 88.7 | Confident | 11 Ų | 11 | 50.3 Ų | 50.3 | 11% | 0.113 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 3.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R133 A134 Y149 | R133-G151 VanDerWaalsContact CD-O 3.32Å; R133-G151 WeakPolarHBondContact CD-O 3.21Å; A134-G151 PolarHBondContact O-N 3.26Å; Y149-G151 PolarHBondContact O-N 3.04Å |
| 152 | K | 85.1 | Confident | 88.5 | Confident | 17 Ų | 17 | 50.5 Ų | 50.5 | 7% | 0.074 | 27% | 0.273 | C | S | . | . | trans | -78.7 | 130.9 | 173 | -172.1 | 51.5 | 169 | 176.8 | 0 | 111.2 | R133 A134 L148 Y149 I154 | R133-K152 WeakPolarHBondContact CA-O 3.01Å; A134-K152 PolarHBondContact N-O 3.31Å; L148-K152 HydrophobicContact CD2-CG 4.49Å; Y149-K152 HydrophobicContact CD1-CB 4.29Å; Y149-K152 HydrophobicContact CD2-CB 3.87Å; Y149-K152 HydrophobicContact CE1-CB 4.22Å; Y149-K152 HydrophobicContact CE1-CD 4.15Å; Y149-K152 HydrophobicContact CE1-CG 4.12Å; Y149-K152 HydrophobicContact CE2-CB 3.77Å; Y149-K152 HydrophobicContact CE2-CD 4.17Å; Y149-K152 HydrophobicContact CE2-CG 4.34Å; Y149-K152 HydrophobicContact CG-CB 4.13Å; Y149-K152 VanDerWaalsContact O-CB 3.26Å; Y149-K152 WeakPolarHBondContact O-CB 3.46Å; Y149-K152 PolarHBondContact O-N 3.06Å; K152-I154 PolarHBondContact O-N 2.79Å | ||
| 153 | S | 88.2 | Confident | 88.7 | Confident | 4 Ų | 4 | 49.9 Ų | 49.9 | 3% | 0.028 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -57.6 | 124.7 | 170.9 | 175 | 0 | 0 | 0 | 0 | 111.5 | E130 L132 R156 R157 | E130-S153 PolarHBondContact O-OG 2.91Å; L132-S153 WeakPolarHBondContact O-CA 3.41Å; S153-R156 PolarHBondContact OG-N 2.97Å; S153-R157 PolarHBondContact O-N 2.95Å |
| 154 | I | 91.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.9 | -51.6 | 179.7 | -64.9 | -179.3 | 0 | 0 | 0 | 109.9 | W31 L32 R35 L132 A134 K152 R156 R157 L158 | W31-I154 HydrophobicContact CH2-CB 4.49Å; W31-I154 HydrophobicContact CH2-CD1 3.87Å; W31-I154 HydrophobicContact CH2-CG1 4.17Å; W31-I154 HydrophobicContact CH2-CG2 3.56Å; W31-I154 HydrophobicContact CZ2-CD1 3.91Å; W31-I154 HydrophobicContact CZ3-CG2 3.86Å; L32-I154 HydrophobicContact CD1-CG2 4.23Å; R35-I154 HydrophobicContact CG-CD1 4.5Å; L132-I154 HydrophobicContact CD2-CB 4.4Å; L132-I154 HydrophobicContact CD2-CD1 4.05Å; L132-I154 HydrophobicContact CG-CD1 4Å; L132-I154 PolarHBondContact O-N 3.39Å; A134-I154 HydrophobicContact CB-CG1 4.4Å; K152-I154 PolarHBondContact O-N 2.79Å; I154-R156 PolarHBondContact O-N 3.49Å; I154-R157 WeakPolarHBondContact O-CB 3.34Å; I154-R157 PolarHBondContact O-N 3.28Å; I154-L158 HydrophobicContact CG2-CD1 3.96Å; I154-L158 HydrophobicContact CG2-CG 4.38Å; I154-L158 WeakPolarHBondContact O-CG 3.08Å; I154-L158 PolarHBondContact O-N 2.92Å |
| 155 | I | 92 | Very high | 89.1 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.6 | -44.8 | -178.9 | -64.2 | -60.8 | 0 | 0 | 0 | 111.5 | L32 L129 R157 L158 L159 L164 | L32-I155 HydrophobicContact CD1-CD1 4.47Å; L129-I155 HydrophobicContact CB-CG1 4.19Å; L129-I155 WeakPolarHBondContact O-CG1 3.28Å; I155-R157 VanDerWaalsContact C-N 3.3Å; I155-R157 PolarHBondContact O-N 3.14Å; I155-L158 PolarHBondContact O-N 3.41Å; I155-L159 HydrophobicContact CG2-CD1 4.08Å; I155-L159 WeakPolarHBondContact O-CG 3.28Å; I155-L159 PolarHBondContact O-N 2.93Å; I155-L164 HydrophobicContact CD1-CD2 4.32Å; I155-L164 HydrophobicContact CG2-CD2 3.97Å |
| 156 | R | 87.6 | Confident | 89.3 | Confident | 80 Ų | 80 | 42.5 Ų | 42.5 | 30% | 0.302 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.9 | -41.1 | 176.1 | -176.6 | 64.9 | 169.7 | 172.6 | -3.6 | 112 | S153 I154 L158 L159 S160 P283 E383 | S153-R156 PolarHBondContact OG-N 2.97Å; I154-R156 PolarHBondContact O-N 3.49Å; R156-L158 VanDerWaalsContact C-N 3.34Å; R156-L159 PolarHBondContact O-N 2.72Å; R156-S160 WeakPolarHBondContact O-CB 3.28Å; R156-S160 PolarHBondContact O-N 2.91Å; R156-S160 PolarHBondContact O-OG 2.85Å; R156-P283 HydrophobicContact CB-CB 3.76Å; R156-P283 WeakPolarHBondContact CB-O 3.46Å; R156-P283 HydrophobicContact CG-CB 4.24Å; R156-P283 VanDerWaalsContact CG-O 3.31Å; R156-P283 WeakPolarHBondContact CG-O 3.39Å; R156-E383 IonicContact CZ-OE1 3.14Å; R156-E383 IonicContact NH2-OE1 3.34Å; R156-E383 PolarHBondContact NH2-OE1 3.34Å; R156-E383 IonicContact NH2-OE2 3.04Å |
| 157 | R | 89.6 | Confident | 89.5 | Confident | 42 Ų | 42 | 43.9 Ų | 43.9 | 16% | 0.158 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.5 | -44.4 | 179.7 | -176.2 | 59.4 | 59.7 | 149.7 | 10.1 | 110.6 | V140 K147 L148 S153 I154 I155 S160 K161 | V140-R157 HydrophobicContact CG2-CG 4.45Å; K147-R157 PolarHBondContact O-NE 2.56Å; K147-R157 PolarHBondContact O-NH1 2.9Å; K147-R157 PolarHBondContact O-NH2 3.33Å; L148-R157 HydrophobicContact CD2-CB 3.86Å; L148-R157 HydrophobicContact CD2-CG 3.78Å; S153-R157 PolarHBondContact O-N 2.95Å; I154-R157 WeakPolarHBondContact O-CB 3.34Å; I154-R157 PolarHBondContact O-N 3.28Å; I155-R157 VanDerWaalsContact C-N 3.3Å; I155-R157 PolarHBondContact O-N 3.14Å; R157-S160 PolarHBondContact O-N 3.41Å; R157-S160 PolarHBondContact O-OG 3.16Å; R157-K161 PolarHBondContact O-N 3.43Å; R157-K161 VanDerWaalsContact O-N 3.11Å |
| 158 | L | 92.7 | Very high | 89.8 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.2 | -43.6 | 178.4 | -65.2 | 173.7 | 0 | 0 | 0 | 111.9 | L32 V140 I154 I155 R156 K161 G162 I163 L164 | L32-L158 HydrophobicContact CD1-CD1 3.82Å; L32-L158 HydrophobicContact CD2-CD1 3.84Å; L32-L158 HydrophobicContact CG-CD1 4.41Å; V140-L158 HydrophobicContact CG1-CD2 3.99Å; V140-L158 HydrophobicContact CG2-CD2 4.03Å; I154-L158 HydrophobicContact CG2-CD1 3.96Å; I154-L158 HydrophobicContact CG2-CG 4.38Å; I154-L158 WeakPolarHBondContact O-CG 3.08Å; I154-L158 PolarHBondContact O-N 2.92Å; I155-L158 PolarHBondContact O-N 3.41Å; R156-L158 VanDerWaalsContact C-N 3.34Å; L158-K161 PolarHBondContact O-N 2.84Å; L158-G162 PolarHBondContact O-N 3Å; L158-I163 HydrophobicContact CB-CB 4.5Å; L158-I163 HydrophobicContact CD2-CB 3.94Å; L158-I163 HydrophobicContact CD2-CD1 3.96Å; L158-I163 HydrophobicContact CD2-CG2 3.89Å; L158-I163 PolarHBondContact O-N 3.08Å; L158-L164 HydrophobicContact CB-CB 3.67Å; L158-L164 PolarHBondContact O-N 2.9Å |
| 159 | L | 90.9 | Very high | 90.2 | Very high | 65 Ų | 65 | 36.8 Ų | 36.8 | 34% | 0.34 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.5 | -49.9 | 174.1 | -70.1 | 168.7 | 0 | 0 | 0 | 111.7 | I155 R156 K161 G162 L164 | I155-L159 HydrophobicContact CG2-CD1 4.08Å; I155-L159 WeakPolarHBondContact O-CG 3.28Å; I155-L159 PolarHBondContact O-N 2.93Å; R156-L159 PolarHBondContact O-N 2.72Å; L159-K161 PolarHBondContact O-N 3.44Å; L159-K161 VanDerWaalsContact O-N 3.16Å; L159-G162 PolarHBondContact O-N 3.44Å; L159-L164 HydrophobicContact CD2-CB 4.17Å; L159-L164 HydrophobicContact CD2-CD2 3.81Å; L159-L164 HydrophobicContact CD2-CG 3.84Å; L159-L164 HydrophobicContact CG-CB 4.47Å; L159-L164 HydrophobicContact CG-CD2 3.95Å; L159-L164 HydrophobicContact CG-CG 4.38Å |
| 160 | S | 87.1 | Confident | 90.6 | Very high | 74 Ų | 74 | 33 Ų | 33 | 52% | 0.517 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.8 | -24.2 | -177 | 70.7 | 0 | 0 | 0 | 0 | 114.2 | R156 R157 | R156-S160 WeakPolarHBondContact O-CB 3.28Å; R156-S160 PolarHBondContact O-N 2.91Å; R156-S160 PolarHBondContact O-OG 2.85Å; R157-S160 PolarHBondContact O-N 3.41Å; R157-S160 PolarHBondContact O-OG 3.16Å |
| 161 | K | 89.9 | Confident | 90.9 | Very high | 107 Ų | 107 | 29.9 Ų | 29.9 | 47% | 0.465 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 2.3 | 178.3 | -68.4 | -61.1 | -174.4 | -177.8 | 0 | 112.9 | N145 A146 R157 L158 L159 I163 | N145-K161 WeakPolarHBondContact O-CE 3.46Å; A146-K161 HydrophobicContact CB-CG 4.08Å; R157-K161 PolarHBondContact O-N 3.43Å; R157-K161 VanDerWaalsContact O-N 3.11Å; L158-K161 PolarHBondContact O-N 2.84Å; L159-K161 PolarHBondContact O-N 3.44Å; L159-K161 VanDerWaalsContact O-N 3.16Å; K161-I163 HydrophobicContact CB-CD1 4.26Å; K161-I163 HydrophobicContact CB-CG1 4.24Å; K161-I163 PolarHBondContact O-N 3.35Å |
| 162 | G | 89.6 | Confident | 91.3 | Very high | 38 Ų | 38 | 32.4 Ų | 32.4 | 39% | 0.392 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 18.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L158 L159 | L158-G162 PolarHBondContact O-N 3Å; L159-G162 PolarHBondContact O-N 3.44Å |
| 163 | I | 93.6 | Very high | 91.3 | Very high | 7 Ų | 7 | 35.6 Ų | 35.6 | 4% | 0.036 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -78.2 | -45 | 174.9 | -58.2 | 170.8 | 0 | 0 | 0 | 109 | L20 I21 T24 V140 Y143 A146 L158 K161 | L20-I163 WeakPolarHBondContact CA-O 3.49Å; I21-I163 PolarHBondContact N-O 2.85Å; T24-I163 HydrophobicContact CG2-CG2 4Å; V140-I163 HydrophobicContact CG1-CD1 4.34Å; Y143-I163 HydrophobicContact CD1-CD1 3.98Å; Y143-I163 HydrophobicContact CD1-CG1 4.37Å; Y143-I163 HydrophobicContact CD2-CD1 3.77Å; Y143-I163 HydrophobicContact CE1-CD1 4.29Å; Y143-I163 HydrophobicContact CE1-CG1 4.25Å; Y143-I163 HydrophobicContact CE2-CD1 4.1Å; Y143-I163 HydrophobicContact CE2-CG1 4.45Å; Y143-I163 HydrophobicContact CE2-CG2 4.35Å; Y143-I163 HydrophobicContact CG-CD1 3.71Å; A146-I163 HydrophobicContact CB-CD1 4.17Å; L158-I163 HydrophobicContact CB-CB 4.5Å; L158-I163 HydrophobicContact CD2-CB 3.94Å; L158-I163 HydrophobicContact CD2-CD1 3.96Å; L158-I163 HydrophobicContact CD2-CG2 3.89Å; L158-I163 PolarHBondContact O-N 3.08Å; K161-I163 HydrophobicContact CB-CD1 4.26Å; K161-I163 HydrophobicContact CB-CG1 4.24Å; K161-I163 PolarHBondContact O-N 3.35Å |
| 164 | L | 93.5 | Very high | 91.2 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 118.8 | 166.3 | -177.6 | 68.8 | 0 | 0 | 0 | 107.3 | L18 E19 L20 I155 L158 L159 | L18-L164 HydrophobicContact CB-CD1 4.1Å; L18-L164 HydrophobicContact CD2-CD1 4.18Å; L18-L164 HydrophobicContact CD2-CD2 4.42Å; E19-L164 WeakPolarHBondContact O-CD1 3.34Å; L20-L164 HydrophobicContact CD2-CB 4.02Å; L20-L164 HydrophobicContact CD2-CD1 3.66Å; L20-L164 HydrophobicContact CD2-CG 4.46Å; L20-L164 HydrophobicContact CG-CD1 4.5Å; I155-L164 HydrophobicContact CD1-CD2 4.32Å; I155-L164 HydrophobicContact CG2-CD2 3.97Å; L158-L164 HydrophobicContact CB-CB 3.67Å; L158-L164 PolarHBondContact O-N 2.9Å; L159-L164 HydrophobicContact CD2-CB 4.17Å; L159-L164 HydrophobicContact CD2-CD2 3.81Å; L159-L164 HydrophobicContact CD2-CG 3.84Å; L159-L164 HydrophobicContact CG-CB 4.47Å; L159-L164 HydrophobicContact CG-CD2 3.95Å; L159-L164 HydrophobicContact CG-CG 4.38Å |
| 165 | I | 91.8 | Very high | 91.1 | Very high | 84 Ų | 84 | 43.3 Ų | 43.3 | 43% | 0.431 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -53.2 | 178.1 | -61 | 177.7 | 0 | 0 | 0 | 108.6 | E19 I21 | E19-I165 HydrophobicContact CG-CB 4.39Å; E19-I165 HydrophobicContact CG-CD1 4.26Å; E19-I165 WeakPolarHBondContact O-CB 3.42Å; E19-I165 PolarHBondContact O-N 3.47Å; I21-I165 HydrophobicContact CB-CD1 4.31Å; I21-I165 HydrophobicContact CB-CG1 4.34Å |
| 166 | Q | 92.5 | Very high | 91 | Very high | 34 Ų | 34 | 44 Ų | 44 | 16% | 0.159 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 157 | -176.1 | 56.3 | -177.5 | 4.5 | 0 | 0 | 112.8 | E19 F168 A485 | E19-Q166 HydrophobicContact CB-CG 3.85Å; E19-Q166 PolarHBondContact N-O 2.85Å; E19-Q166 PolarHBondContact O-N 2.99Å; E19-Q166 WeakPolarHBondContact OE2-CG 3.35Å; E19-Q166 PolarHBondContact OE2-NE2 3.26Å; Q166-F168 HydrophobicContact CG-CD1 4.08Å; Q166-F168 HydrophobicContact CG-CE1 4.28Å; Q166-A485 PolarHBondContact NE2-O 2.83Å |
| 167 | M | 94.6 | Very high | 91.1 | Very high | 30 Ų | 30 | 47.6 Ų | 47.6 | 15% | 0.148 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 124.4 | 170.9 | 174.3 | -178.3 | 76.6 | 0 | 0 | 106.9 | V16 V17 L18 K126 L129 E130 F544 | V16-M167 HydrophobicContact CG1-CG 3.8Å; V17-M167 WeakPolarHBondContact O-CA 3.37Å; L18-M167 HydrophobicContact CD2-CB 3.85Å; L18-M167 HydrophobicContact CD2-CG 3.65Å; L18-M167 HydrophobicContact CD2-SD 4.05Å; K126-M167 HydrophobicContact CB-CE 4.47Å; K126-M167 HydrophobicContact CG-CE 3.95Å; L129-M167 HydrophobicContact CB-SD 4.36Å; L129-M167 HydrophobicContact CD1-SD 3.86Å; E130-M167 HydrophobicContact CG-CE 4.44Å; M167-F544 HydrophobicContact CE-CE2 3.84Å; M167-F544 HydrophobicContact CE-CZ 3.98Å; M167-F544 HydrophobicContact CG-CE2 4.14Å; M167-F544 HydrophobicContact CG-CZ 3.88Å; M167-F544 WeakPolarHBondContact O-CE2 3.4Å; M167-F544 HydrophobicContact SD-CZ 4.4Å |
| 168 | F | 95.1 | Very high | 91.1 | Very high | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 147.8 | -178.8 | 64.1 | -88.4 | 0 | 0 | 0 | 112.2 | V17 Q166 L170 E484 A485 K541 | V17-F168 HydrophobicContact CB-CD1 4.34Å; V17-F168 HydrophobicContact CB-CD2 4.41Å; V17-F168 HydrophobicContact CB-CE1 3.89Å; V17-F168 HydrophobicContact CB-CE2 3.97Å; V17-F168 HydrophobicContact CB-CZ 3.69Å; V17-F168 HydrophobicContact CG1-CE1 3.91Å; V17-F168 HydrophobicContact CG1-CZ 3.79Å; V17-F168 HydrophobicContact CG2-CE2 3.94Å; V17-F168 HydrophobicContact CG2-CZ 4.01Å; V17-F168 PolarHBondContact N-O 3.12Å; V17-F168 PolarHBondContact O-N 3.03Å; V17-F168 VanDerWaalsContact O-N 3.12Å; Q166-F168 HydrophobicContact CG-CD1 4.08Å; Q166-F168 HydrophobicContact CG-CE1 4.28Å; F168-L170 HydrophobicContact CE2-CD2 4.27Å; F168-E484 HydrophobicContact CE2-CB 3.89Å; F168-A485 HydrophobicContact CE1-CB 4.04Å; F168-A485 HydrophobicContact CZ-CB 3.83Å; F168-K541 HydrophobicContact CB-CD 4.28Å; F168-K541 HydrophobicContact CG-CD 4.22Å |
| 169 | P | 96.1 | Very high | 91 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 148.3 | 174.4 | 28.9 | -26.3 | 0 | 0 | 0 | 111.5 | Q122 R542 F544 | Q122-P169 HydrophobicContact CB-CB 4.07Å; Q122-P169 HydrophobicContact CG-CB 3.94Å; P169-R542 WeakPolarHBondContact CD-O 3.48Å; P169-R542 HydrophobicContact CG-CB 4.02Å; P169-R542 HydrophobicContact CG-CG 4.07Å; P169-R542 WeakPolarHBondContact CG-O 3.38Å; P169-F544 HydrophobicContact CB-CD1 4.11Å; P169-F544 HydrophobicContact CB-CE1 3.89Å; P169-F544 HydrophobicContact CB-CZ 4.43Å; P169-F544 HydrophobicContact CG-CD1 3.8Å; P169-F544 HydrophobicContact CG-CD2 4.37Å; P169-F544 HydrophobicContact CG-CE1 3.9Å; P169-F544 HydrophobicContact CG-CE2 4.49Å; P169-F544 HydrophobicContact CG-CG 4.04Å; P169-F544 HydrophobicContact CG-CZ 4.25Å |
| 170 | L | 93.6 | Very high | 90.9 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -80 | 145.3 | 176.8 | -74.4 | 171.6 | 0 | 0 | 0 | 112.8 | P14 L15 V17 L68 Q122 F168 V481 R542 | P14-L170 HydrophobicContact CB-CD1 4.05Å; P14-L170 HydrophobicContact CG-CD1 4.24Å; L15-L170 PolarHBondContact O-N 3.04Å; V17-L170 HydrophobicContact CG2-CD1 3.95Å; V17-L170 HydrophobicContact CG2-CD2 3.64Å; V17-L170 HydrophobicContact CG2-CG 3.66Å; L68-L170 HydrophobicContact CD2-CD1 4.49Å; Q122-L170 PolarHBondContact NE2-O 2.98Å; F168-L170 HydrophobicContact CE2-CD2 4.27Å; L170-V481 HydrophobicContact CD1-CG2 4.24Å; L170-V481 HydrophobicContact CD2-CG2 3.94Å; L170-R542 WeakPolarHBondContact O-CD 3.5Å; L170-R542 PolarHBondContact O-NH1 3.36Å |
| 171 | H | 91.4 | Very high | 90.9 | Very high | 13 Ų | 13 | 53.1 Ų | 53.1 | 6% | 0.06 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -76.2 | 135.1 | 167.5 | -82.8 | -73.3 | 0 | 0 | 0 | 112.3 | Y200 Q480 E484 R542 | H171-Y200 AromaticContact ND1-CE1 3.59Å; H171-Y200 AromaticContact ND1-CZ 3.66Å; H171-Y200 PolarHBondContact ND1-OH 3.29Å; H171-Q480 PolarHBondContact O-NE2 2.99Å; H171-E484 IonicContact CD2-OE2 3.6Å; H171-E484 PolarHBondContact N-OE2 2.78Å; H171-R542 WeakPolarHBondContact NE2-CA 3.24Å; H171-R542 PolarHBondContact NE2-N 3.36Å |
| 172 | H | 89.6 | Confident | 90.7 | Very high | 65 Ų | 65 | 49.7 Ų | 49.7 | 30% | 0.301 | 24% | 0.237 | S | C | . | . | trans | -86.9 | 111.6 | 162.2 | -163.6 | -54.3 | 0 | 0 | 0 | 110 | M118 E174 E175 L176 Y200 | M118-H172 HydrophobicContact CE-CB 4.32Å; M118-H172 HydrophobicContact SD-CB 3.66Å; H172-E174 PolarHBondContact ND1-N 2.79Å; H172-E174 PolarHBondContact O-N 3.19Å; H172-E175 HydrophobicContact CB-CB 4.23Å; H172-E175 HydrophobicContact CB-CG 4.37Å; H172-L176 VanDerWaalsContact O-CB 3.25Å; H172-L176 WeakPolarHBondContact O-CB 3.37Å; H172-L176 PolarHBondContact O-N 2.86Å; H172-Y200 HydrophobicContact CB-CE2 4.3Å; H172-Y200 PolarHBondContact N-OH 3.25Å; H172-Y200 VanDerWaalsContact N-OH 3.12Å; H172-Y200 PolarHBondContact O-OH 2.78Å | ||
| 173 | K | 85.6 | Confident | 90.5 | Very high | 84 Ų | 84 | 48.5 Ų | 48.5 | 37% | 0.365 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.8 | -41.6 | -173.5 | -72.8 | 175.3 | 177.5 | 145.2 | 0 | 113.5 | K177 Q480 | K173-K177 VanDerWaalsContact O-CB 3.3Å; K173-K177 WeakPolarHBondContact O-CB 3.19Å; K173-K177 PolarHBondContact O-N 2.82Å; K173-Q480 VanDerWaalsContact CE-CD 3.46Å; K173-Q480 VanDerWaalsContact CE-OE1 3.24Å |
| 174 | E | 87.1 | Confident | 90 | Very high | 104 Ų | 104 | 50 Ų | 50 | 49% | 0.486 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.9 | -50.6 | -177.8 | -56.1 | -164.5 | 151 | 0 | 0 | 112.8 | H172 L176 K177 R178 | H172-E174 PolarHBondContact ND1-N 2.79Å; H172-E174 PolarHBondContact O-N 3.19Å; E174-L176 VanDerWaalsContact C-N 3.35Å; E174-L176 PolarHBondContact O-N 3.25Å; E174-K177 WeakPolarHBondContact O-CB 3.37Å; E174-K177 PolarHBondContact O-N 3.4Å; E174-R178 WeakPolarHBondContact O-CG 3.38Å; E174-R178 PolarHBondContact O-N 2.48Å |
| 175 | E | 88.6 | Confident | 89 | Confident | 61 Ų | 61 | 54.8 Ų | 54.8 | 29% | 0.285 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.2 | -45.8 | 175.1 | -68.1 | -178.7 | -179.5 | 0 | 0 | 111.6 | H172 K177 R178 L179 Y200 | H172-E175 HydrophobicContact CB-CB 4.23Å; H172-E175 HydrophobicContact CB-CG 4.37Å; E175-K177 VanDerWaalsContact C-N 3.26Å; E175-K177 PolarHBondContact O-N 2.96Å; E175-R178 WeakPolarHBondContact O-CB 3.49Å; E175-R178 PolarHBondContact O-N 2.66Å; E175-R178 VanDerWaalsContact O-N 3.1Å; E175-L179 WeakPolarHBondContact O-CB 3.41Å; E175-L179 PolarHBondContact O-N 2.87Å; E175-Y200 HydrophobicContact CB-CD2 3.97Å; E175-Y200 HydrophobicContact CB-CE2 3.79Å |
| 176 | L | 90.6 | Very high | 87.8 | Confident | 19 Ų | 19 | 55.4 Ų | 55.4 | 10% | 0.099 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.9 | -37.6 | 177 | -171.3 | 59.1 | 0 | 0 | 0 | 112.1 | H172 E174 S180 Y200 Y201 C537 | H172-L176 VanDerWaalsContact O-CB 3.25Å; H172-L176 WeakPolarHBondContact O-CB 3.37Å; H172-L176 PolarHBondContact O-N 2.86Å; E174-L176 VanDerWaalsContact C-N 3.35Å; E174-L176 PolarHBondContact O-N 3.25Å; L176-S180 VanDerWaalsContact O-CB 3.26Å; L176-S180 WeakPolarHBondContact O-CB 3.44Å; L176-S180 PolarHBondContact O-N 2.96Å; L176-S180 PolarHBondContact O-OG 3.02Å; L176-Y200 HydrophobicContact CB-CE2 4.23Å; L176-Y200 WeakPolarHBondContact CB-OH 3.25Å; L176-Y200 HydrophobicContact CD1-CD1 4.4Å; L176-Y200 HydrophobicContact CD1-CE1 3.75Å; L176-Y201 WeakPolarHBondContact CD1-OH 3.4Å; L176-C537 HydrophobicContact CD1-CB 4.18Å; L176-C537 WeakPolarHBondContact CD2-O 3.37Å |
| 177 | K | 88.9 | Confident | 86.4 | Confident | 154 Ų | 154 | 62.2 Ų | 62.2 | 67% | 0.67 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -66.4 | -40.5 | 176.5 | -172.8 | 179.9 | 179 | -175.3 | 0 | 111.1 | K173 E174 E175 S180 F181 | K173-K177 VanDerWaalsContact O-CB 3.3Å; K173-K177 WeakPolarHBondContact O-CB 3.19Å; K173-K177 PolarHBondContact O-N 2.82Å; E174-K177 WeakPolarHBondContact O-CB 3.37Å; E174-K177 PolarHBondContact O-N 3.4Å; E175-K177 VanDerWaalsContact C-N 3.26Å; E175-K177 PolarHBondContact O-N 2.96Å; K177-S180 PolarHBondContact O-OG 2.98Å; K177-F181 PolarHBondContact O-N 3.28Å |
| 178 | R | 90 | Very high | 84.9 | Confident | 177 Ų | 177 | 67.3 Ų | 67.3 | 67% | 0.668 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.3 | -50.9 | 174.7 | -67.7 | 177.5 | -170.9 | 173.7 | 6.5 | 110.6 | E174 E175 S180 F181 S182 | E174-R178 WeakPolarHBondContact O-CG 3.38Å; E174-R178 PolarHBondContact O-N 2.48Å; E175-R178 WeakPolarHBondContact O-CB 3.49Å; E175-R178 PolarHBondContact O-N 2.66Å; E175-R178 VanDerWaalsContact O-N 3.1Å; R178-S180 PolarHBondContact O-N 2.75Å; R178-F181 WeakPolarHBondContact O-CB 3.48Å; R178-F181 PolarHBondContact O-N 3.31Å; R178-S182 PolarHBondContact O-N 3.17Å; R178-S182 VanDerWaalsContact O-N 3.16Å |
| 179 | L | 91.1 | Very high | 83.4 | Confident | 6 Ų | 6 | 74.2 Ų | 74.2 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.5 | -45.7 | 177.3 | 179.7 | 62.6 | 0 | 0 | 0 | 111.7 | E175 F181 S182 W183 P193 E196 I197 Y200 Y201 | E175-L179 WeakPolarHBondContact O-CB 3.41Å; E175-L179 PolarHBondContact O-N 2.87Å; L179-F181 PolarHBondContact O-N 3.03Å; L179-F181 VanDerWaalsContact O-N 3.1Å; L179-S182 PolarHBondContact O-N 3.39Å; L179-S182 PolarHBondContact O-OG 3.48Å; L179-W183 HydrophobicContact CD1-CB 4.46Å; L179-W183 HydrophobicContact CD1-CE3 4.24Å; L179-W183 HydrophobicContact CD2-CE3 4.1Å; L179-W183 HydrophobicContact CD2-CZ3 4.19Å; L179-W183 HydrophobicContact CG-CE3 3.92Å; L179-W183 WeakPolarHBondContact O-CB 3.48Å; L179-W183 PolarHBondContact O-N 3.47Å; L179-P193 HydrophobicContact CD1-CG 4.38Å; L179-E196 HydrophobicContact CD1-CB 3.68Å; L179-I197 HydrophobicContact CD1-CG1 4.1Å; L179-Y200 HydrophobicContact CD2-CD1 4.24Å; L179-Y200 HydrophobicContact CD2-CG 4.04Å; L179-Y201 HydrophobicContact CD2-CD2 4.19Å; L179-Y201 HydrophobicContact CD2-CE2 3.8Å |
| 180 | S | 88.6 | Confident | 82 | Confident | 2 Ų | 2 | 77.5 Ų | 77.5 | 1% | 0.014 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.1 | -28.7 | 177.6 | 74.1 | 0 | 0 | 0 | 0 | 113.1 | L176 K177 R178 Y184 K185 | L176-S180 VanDerWaalsContact O-CB 3.26Å; L176-S180 WeakPolarHBondContact O-CB 3.44Å; L176-S180 PolarHBondContact O-N 2.96Å; L176-S180 PolarHBondContact O-OG 3.02Å; K177-S180 PolarHBondContact O-OG 2.98Å; R178-S180 PolarHBondContact O-N 2.75Å; S180-Y184 PolarHBondContact O-N 3.48Å; S180-K185 VanDerWaalsContact O-CG 3.32Å; S180-K185 WeakPolarHBondContact O-CG 3.41Å; S180-K185 PolarHBondContact O-N 2.95Å; S180-K185 PolarHBondContact OG-NZ 3.24Å |
| 181 | F | 86.4 | Confident | 81.4 | Confident | 116 Ų | 116 | 83.4 Ų | 83.4 | 51% | 0.509 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -81.2 | -36.6 | -179.4 | -173.1 | -101.9 | 0 | 0 | 0 | 112.8 | K177 R178 L179 K185 | K177-F181 PolarHBondContact O-N 3.28Å; R178-F181 WeakPolarHBondContact O-CB 3.48Å; R178-F181 PolarHBondContact O-N 3.31Å; L179-F181 PolarHBondContact O-N 3.03Å; L179-F181 VanDerWaalsContact O-N 3.1Å; F181-K185 HydrophobicContact CD2-CB 4.33Å; F181-K185 HydrophobicContact CD2-CD 4.35Å |
| 182 | S | 86.1 | Confident | 81.3 | Confident | 36 Ų | 36 | 83.6 Ų | 83.6 | 25% | 0.252 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -73.9 | -36.4 | 172.9 | 52.7 | 0 | 0 | 0 | 0 | 111.9 | R178 L179 E196 | R178-S182 PolarHBondContact O-N 3.17Å; R178-S182 VanDerWaalsContact O-N 3.16Å; L179-S182 PolarHBondContact O-N 3.39Å; L179-S182 PolarHBondContact O-OG 3.48Å; S182-E196 WeakPolarHBondContact CB-OE2 3.41Å; S182-E196 PolarHBondContact OG-OE2 3.42Å |
| 183 | W | 86.2 | Confident | 81.5 | Confident | 12 Ų | 12 | 81.8 Ų | 81.8 | 5% | 0.045 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -82.8 | -58.2 | -167.2 | -164.4 | 5.3 | 0 | 0 | 0 | 114.8 | L179 P193 I197 Y201 F209 A533 M536 | L179-W183 HydrophobicContact CD1-CB 4.46Å; L179-W183 HydrophobicContact CD1-CE3 4.24Å; L179-W183 HydrophobicContact CD2-CE3 4.1Å; L179-W183 HydrophobicContact CD2-CZ3 4.19Å; L179-W183 HydrophobicContact CG-CE3 3.92Å; L179-W183 WeakPolarHBondContact O-CB 3.48Å; L179-W183 PolarHBondContact O-N 3.47Å; W183-P193 HydrophobicContact CB-CG 4.16Å; W183-P193 HydrophobicContact CG-CG 4.34Å; W183-I197 HydrophobicContact CD2-CD1 4Å; W183-I197 HydrophobicContact CD2-CG1 3.97Å; W183-I197 HydrophobicContact CE3-CG1 4.22Å; W183-I197 HydrophobicContact CG-CD1 4.42Å; W183-I197 HydrophobicContact CH2-CD1 4.21Å; W183-I197 HydrophobicContact CH2-CG1 3.99Å; W183-I197 HydrophobicContact CH2-CG2 3.98Å; W183-I197 HydrophobicContact CZ2-CD1 3.43Å; W183-I197 VanDerWaalsContact CZ2-CD1 3.43Å; W183-I197 HydrophobicContact CZ2-CG1 3.72Å; W183-I197 HydrophobicContact CZ2-CG2 4.14Å; W183-I197 HydrophobicContact CZ3-CG1 4.25Å; W183-Y201 HydrophobicContact CH2-CD2 4.47Å; W183-Y201 HydrophobicContact CH2-CE2 4.35Å; W183-Y201 HydrophobicContact CZ3-CD2 4.27Å; W183-Y201 AromaticContact CZ3-CE2 3.79Å; W183-Y201 HydrophobicContact CZ3-CE2 3.79Å; W183-F209 AromaticContact CH2-CD2 3.95Å; W183-F209 HydrophobicContact CH2-CD2 3.95Å; W183-F209 HydrophobicContact CH2-CE1 4.19Å; W183-F209 AromaticContact CH2-CE2 3.48Å; W183-F209 HydrophobicContact CH2-CE2 3.48Å; W183-F209 VanDerWaalsContact CH2-CE2 3.48Å; W183-F209 HydrophobicContact CH2-CG 4.5Å; W183-F209 AromaticContact CH2-CZ 3.6Å; W183-F209 HydrophobicContact CH2-CZ 3.6Å; W183-F209 AromaticContact CZ2-CD1 3.61Å; W183-F209 HydrophobicContact CZ2-CD1 3.61Å; W183-F209 AromaticContact CZ2-CD2 3.55Å; W183-F209 HydrophobicContact CZ2-CD2 3.55Å; W183-F209 AromaticContact CZ2-CE1 3.44Å; W183-F209 HydrophobicContact CZ2-CE1 3.44Å; W183-F209 VanDerWaalsContact CZ2-CE1 3.44Å; W183-F209 AromaticContact CZ2-CE2 3.4Å; W183-F209 HydrophobicContact CZ2-CE2 3.4Å; W183-F209 AromaticContact CZ2-CG 3.65Å; W183-F209 HydrophobicContact CZ2-CG 3.65Å; W183-F209 AromaticContact CZ2-CZ 3.33Å; W183-F209 HydrophobicContact CZ2-CZ 3.33Å; W183-A533 HydrophobicContact CD2-CB 3.62Å; W183-A533 HydrophobicContact CE3-CB 4.04Å; W183-A533 HydrophobicContact CG-CB 4.02Å; W183-A533 HydrophobicContact CH2-CB 4.33Å; W183-A533 HydrophobicContact CZ2-CB 3.93Å; W183-A533 HydrophobicContact CZ3-CB 4.36Å; W183-M536 HydrophobicContact CH2-CB 4.49Å |
| 184 | Y | 82.1 | Confident | 81.9 | Confident | 39 Ų | 39 | 79 Ų | 79 | 15% | 0.153 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | -17.5 | -170.9 | 76.9 | -97 | 0 | 0 | 0 | 114.9 | S180 A533 F534 C537 H538 | S180-Y184 PolarHBondContact O-N 3.48Å; Y184-A533 HydrophobicContact CD1-CB 4.18Å; Y184-A533 HydrophobicContact CG-CB 4.41Å; Y184-F534 HydrophobicContact CE2-CD2 4.12Å; Y184-C537 HydrophobicContact CE1-CB 4.22Å; Y184-H538 PolarHBondContact OH-CD2 3.12Å; Y184-H538 VanDerWaalsContact OH-CD2 3.27Å; Y184-H538 PolarHBondContact OH-NE2 2.81Å |
| 185 | K | 72.6 | Confident | 82.1 | Confident | 103 Ų | 103 | 77.9 Ų | 77.9 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -77.8 | -20.3 | -178.2 | -72.3 | 173.8 | 178.7 | 158 | 0 | 114.1 | S180 F181 | S180-K185 VanDerWaalsContact O-CG 3.32Å; S180-K185 WeakPolarHBondContact O-CG 3.41Å; S180-K185 PolarHBondContact O-N 2.95Å; S180-K185 PolarHBondContact OG-NZ 3.24Å; F181-K185 HydrophobicContact CD2-CB 4.33Å; F181-K185 HydrophobicContact CD2-CD 4.35Å |
| 186 | K | 67.6 | Low | 82.4 | Confident | 97 Ų | 97 | 79.5 Ų | 79.5 | 42% | 0.422 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -93.5 | 106.8 | 170.8 | -71.9 | 178.5 | -177.3 | 172.2 | 0 | 107.5 | K188 | K186-K188 PolarHBondContact O-N 2.93Š|
| 187 | F | 63 | Low | 82.5 | Confident | 176 Ų | 176 | 78.6 Ų | 78.6 | 77% | 0.772 | 37% | 0.371 | S | S | * | . | trans | -71.3 | 81.7 | 169.3 | -162.3 | -94.2 | 0 | 0 | 0 | 108.5 | Y530 | F187-Y530 HydrophobicContact CD2-CE2 4.47Å; F187-Y530 HydrophobicContact CE2-CE2 4.23Å | ||
| 188 | K | 62 | Low | 82.8 | Confident | 138 Ų | 138 | 73.5 Ų | 73.5 | 60% | 0.6 | 35% | 0.348 | S | S | * | . | trans | -129.6 | 136.5 | 173 | -73.7 | -169.1 | 175.8 | -169.6 | 0 | 106.7 | K186 S190 Y530 | K186-K188 PolarHBondContact O-N 2.93Å; K188-S190 PolarHBondContact O-N 3.03Å; K188-Y530 PolarHBondContact O-OH 3.34Å | ||
| 189 | L | 64.4 | Low | 82.9 | Confident | 151 Ų | 151 | 69.3 Ų | 69.3 | 79% | 0.791 | 34% | 0.336 | S | S | * | . | trans | -72.4 | 56.4 | 168.1 | -147 | 91.1 | 0 | 0 | 0 | 109.2 | ||||
| 190 | S | 65.5 | Low | 83.1 | Confident | 70 Ų | 70 | 69.3 Ų | 69.3 | 49% | 0.49 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -103.3 | 150.8 | 176.7 | 51.9 | 0 | 0 | 0 | 0 | 109.3 | K188 | K188-S190 PolarHBondContact O-N 3.03Š|
| 191 | L | 82.7 | Confident | 83.4 | Confident | 128 Ų | 128 | 69.2 Ų | 69.2 | 67% | 0.67 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 139.5 | 171.4 | -59.6 | 170.5 | 0 | 0 | 0 | 110.2 | E213 F217 | L191-E213 WeakPolarHBondContact CA-OE2 3.48Å; L191-E213 WeakPolarHBondContact CD2-OE1 3.34Å; L191-F217 HydrophobicContact CD2-CE2 4.14Å |
| 192 | Q | 89.6 | Confident | 83.7 | Confident | 18 Ų | 18 | 63.8 Ų | 63.8 | 8% | 0.084 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 144.8 | 177.8 | -70.7 | -172.3 | 68.9 | 0 | 0 | 110.1 | L194 I197 F209 E213 V529 | Q192-L194 HydrophobicContact CB-CD2 4.1Å; Q192-L194 PolarHBondContact O-N 3.49Å; Q192-I197 HydrophobicContact CB-CD1 4.47Å; Q192-F209 PolarHBondContact NE2-O 2.91Å; Q192-E213 VanDerWaalsContact CB-OE2 3.31Å; Q192-E213 WeakPolarHBondContact CB-OE2 3.49Å; Q192-E213 WeakPolarHBondContact CG-OE2 3.36Å; Q192-E213 PolarHBondContact N-OE2 3.3Å; Q192-V529 HydrophobicContact CG-CG1 4.09Å |
| 193 | P | 92.8 | Very high | 84.1 | Confident | 27 Ų | 27 | 62.8 Ų | 62.8 | 18% | 0.175 | 30% | 0.303 | C | S | . | . | trans | -77.9 | 67.9 | 179.2 | 33.9 | -36.1 | 0 | 0 | 0 | 110.9 | L179 W183 D195 E196 I197 | L179-P193 HydrophobicContact CD1-CG 4.38Å; W183-P193 HydrophobicContact CB-CG 4.16Å; W183-P193 HydrophobicContact CG-CG 4.34Å; P193-D195 VanDerWaalsContact C-N 3.28Å; P193-D195 PolarHBondContact O-N 2.6Å; P193-E196 HydrophobicContact CB-CB 4.09Å; P193-E196 HydrophobicContact CB-CG 4.04Å; P193-E196 PolarHBondContact O-N 3.04Å; P193-I197 HydrophobicContact CG-CD1 4.45Å; P193-I197 HydrophobicContact CG-CG1 4.49Å; P193-I197 WeakPolarHBondContact O-CG1 3.45Å; P193-I197 PolarHBondContact O-N 3.21Å | ||
| 194 | L | 93.3 | Very high | 84.3 | Confident | 24 Ų | 24 | 62.8 Ų | 62.8 | 13% | 0.126 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -55.8 | -39.3 | -173 | -62.4 | -178.6 | 0 | 0 | 0 | 113.1 | Q192 I197 R198 F209 L265 W269 | Q192-L194 HydrophobicContact CB-CD2 4.1Å; Q192-L194 PolarHBondContact O-N 3.49Å; L194-I197 HydrophobicContact CD2-CD1 4.38Å; L194-I197 PolarHBondContact O-N 3.27Å; L194-R198 VanDerWaalsContact O-CB 3.24Å; L194-R198 WeakPolarHBondContact O-CB 3.45Å; L194-R198 PolarHBondContact O-N 3.07Å; L194-F209 HydrophobicContact CD2-CB 4.26Å; L194-L265 HydrophobicContact CD1-CD1 4.37Å; L194-L265 HydrophobicContact CD1-CD2 4.46Å; L194-W269 HydrophobicContact CB-CZ2 4.34Å |
| 195 | D | 92.6 | Very high | 84.9 | Confident | 81 Ų | 81 | 61.4 Ų | 61.4 | 43% | 0.433 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.8 | -33.4 | 178.7 | -68.4 | -40.6 | 0 | 0 | 0 | 112.5 | P193 H199 W269 | P193-D195 VanDerWaalsContact C-N 3.28Å; P193-D195 PolarHBondContact O-N 2.6Å; D195-H199 WeakPolarHBondContact O-CB 3.47Å; D195-H199 PolarHBondContact O-N 3.2Å; D195-W269 PolarHBondContact OD1-NE1 3.07Å |
| 196 | E | 93.3 | Very high | 85.9 | Confident | 96 Ų | 96 | 56.5 Ų | 56.5 | 45% | 0.449 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71.4 | -40.9 | 174 | -58.8 | -179.8 | -169.1 | 0 | 0 | 111 | L179 S182 P193 R198 H199 Y200 | L179-E196 HydrophobicContact CD1-CB 3.68Å; S182-E196 WeakPolarHBondContact CB-OE2 3.41Å; S182-E196 PolarHBondContact OG-OE2 3.42Å; P193-E196 HydrophobicContact CB-CB 4.09Å; P193-E196 HydrophobicContact CB-CG 4.04Å; P193-E196 PolarHBondContact O-N 3.04Å; E196-R198 VanDerWaalsContact C-N 3.32Å; E196-R198 PolarHBondContact O-N 2.98Å; E196-H199 PolarHBondContact O-N 2.79Å; E196-Y200 PolarHBondContact O-N 3.16Å; E196-Y200 VanDerWaalsContact O-N 3.1Å |
| 197 | I | 94.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 174.4 | -62.3 | 162.2 | 0 | 0 | 0 | 109.4 | L179 W183 Q192 P193 L194 Y200 Y201 A206 F209 | L179-I197 HydrophobicContact CD1-CG1 4.1Å; W183-I197 HydrophobicContact CD2-CD1 4Å; W183-I197 HydrophobicContact CD2-CG1 3.97Å; W183-I197 HydrophobicContact CE3-CG1 4.22Å; W183-I197 HydrophobicContact CG-CD1 4.42Å; W183-I197 HydrophobicContact CH2-CD1 4.21Å; W183-I197 HydrophobicContact CH2-CG1 3.99Å; W183-I197 HydrophobicContact CH2-CG2 3.98Å; W183-I197 HydrophobicContact CZ2-CD1 3.43Å; W183-I197 VanDerWaalsContact CZ2-CD1 3.43Å; W183-I197 HydrophobicContact CZ2-CG1 3.72Å; W183-I197 HydrophobicContact CZ2-CG2 4.14Å; W183-I197 HydrophobicContact CZ3-CG1 4.25Å; Q192-I197 HydrophobicContact CB-CD1 4.47Å; P193-I197 HydrophobicContact CG-CD1 4.45Å; P193-I197 HydrophobicContact CG-CG1 4.49Å; P193-I197 WeakPolarHBondContact O-CG1 3.45Å; P193-I197 PolarHBondContact O-N 3.21Å; L194-I197 HydrophobicContact CD2-CD1 4.38Å; L194-I197 PolarHBondContact O-N 3.27Å; I197-Y200 PolarHBondContact O-N 3.1Å; I197-Y201 HydrophobicContact CG2-CD2 4.34Å; I197-Y201 WeakPolarHBondContact O-CB 3.38Å; I197-Y201 PolarHBondContact O-N 3.28Å; I197-A206 HydrophobicContact CG2-CB 4.24Å; I197-F209 HydrophobicContact CD1-CB 4.31Å; I197-F209 HydrophobicContact CG2-CD2 4.18Å |
| 198 | R | 94.4 | Very high | 88.8 | Confident | 46 Ų | 46 | 43.6 Ų | 43.6 | 17% | 0.174 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.2 | -47 | 176.7 | -178 | -129.6 | 170 | 174 | -4.2 | 111.8 | L194 E196 Y200 G202 E203 A206 W269 | L194-R198 VanDerWaalsContact O-CB 3.24Å; L194-R198 WeakPolarHBondContact O-CB 3.45Å; L194-R198 PolarHBondContact O-N 3.07Å; E196-R198 VanDerWaalsContact C-N 3.32Å; E196-R198 PolarHBondContact O-N 2.98Å; R198-Y200 PolarHBondContact O-N 2.79Å; R198-G202 WeakPolarHBondContact O-CA 3.33Å; R198-G202 PolarHBondContact O-N 3.47Å; R198-E203 HydrophobicContact CG-CG 3.92Å; R198-E203 IonicContact CZ-OE1 2.84Å; R198-E203 VanDerWaalsContact CZ-OE1 3.3Å; R198-E203 IonicContact NE-OE1 2.67Å; R198-E203 PolarHBondContact NE-OE1 3.04Å; R198-E203 IonicContact NH2-OE1 3.94Å; R198-E203 PolarHBondContact NH2-OE1 3.42Å; R198-A206 HydrophobicContact CB-CB 3.61Å; R198-A206 HydrophobicContact CG-CB 4.29Å; R198-W269 HydrophobicContact CB-CZ2 4.41Å; R198-W269 HydrophobicContact CG-CD2 4.04Å; R198-W269 HydrophobicContact CG-CE3 4.45Å; R198-W269 HydrophobicContact CG-CG 4.25Å; R198-W269 VanDerWaalsContact CZ-CB 3.48Å; R198-W269 VanDerWaalsContact NH1-CD1 3.34Å; R198-W269 PolarHBondContact NH2-O 2.95Å |
| 199 | H | 92.8 | Very high | 90.4 | Very high | 90 Ų | 90 | 37.1 Ų | 37.1 | 42% | 0.417 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.3 | -34.4 | 179.3 | -169.5 | 87.5 | 0 | 0 | 0 | 112.2 | S117 A119 D195 E196 | S117-H199 WeakPolarHBondContact CB-CE1 3.28Å; S117-H199 WeakPolarHBondContact CB-ND1 3.07Å; A119-H199 WeakPolarHBondContact CB-O 3.36Å; D195-H199 WeakPolarHBondContact O-CB 3.47Å; D195-H199 PolarHBondContact O-N 3.2Å; E196-H199 PolarHBondContact O-N 2.79Å |
| 200 | Y | 94.6 | Very high | 91.9 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 2% | 0.02 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -90.4 | -45.7 | -177.7 | -163.8 | -89.7 | 0 | 0 | 0 | 114.3 | H171 H172 E175 L176 L179 E196 I197 R198 R542 | H171-Y200 AromaticContact ND1-CE1 3.59Å; H171-Y200 AromaticContact ND1-CZ 3.66Å; H171-Y200 PolarHBondContact ND1-OH 3.29Å; H172-Y200 HydrophobicContact CB-CE2 4.3Å; H172-Y200 PolarHBondContact N-OH 3.25Å; H172-Y200 VanDerWaalsContact N-OH 3.12Å; H172-Y200 PolarHBondContact O-OH 2.78Å; E175-Y200 HydrophobicContact CB-CD2 3.97Å; E175-Y200 HydrophobicContact CB-CE2 3.79Å; L176-Y200 HydrophobicContact CB-CE2 4.23Å; L176-Y200 WeakPolarHBondContact CB-OH 3.25Å; L176-Y200 HydrophobicContact CD1-CD1 4.4Å; L176-Y200 HydrophobicContact CD1-CE1 3.75Å; L179-Y200 HydrophobicContact CD2-CD1 4.24Å; L179-Y200 HydrophobicContact CD2-CG 4.04Å; E196-Y200 PolarHBondContact O-N 3.16Å; E196-Y200 VanDerWaalsContact O-N 3.1Å; I197-Y200 PolarHBondContact O-N 3.1Å; R198-Y200 PolarHBondContact O-N 2.79Å; Y200-R542 VanDerWaalsContact O-CZ 3.3Å; Y200-R542 PolarHBondContact O-NE 3.14Å; Y200-R542 PolarHBondContact O-NH2 3.44Å |
| 201 | Y | 94.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -104.8 | -16.6 | -173.6 | -71.4 | -73.7 | 0 | 0 | 0 | 114.2 | L176 L179 W183 I197 Q205 M536 R542 P543 A545 | L176-Y201 WeakPolarHBondContact CD1-OH 3.4Å; L179-Y201 HydrophobicContact CD2-CD2 4.19Å; L179-Y201 HydrophobicContact CD2-CE2 3.8Å; W183-Y201 HydrophobicContact CH2-CD2 4.47Å; W183-Y201 HydrophobicContact CH2-CE2 4.35Å; W183-Y201 HydrophobicContact CZ3-CD2 4.27Å; W183-Y201 AromaticContact CZ3-CE2 3.79Å; W183-Y201 HydrophobicContact CZ3-CE2 3.79Å; I197-Y201 HydrophobicContact CG2-CD2 4.34Å; I197-Y201 WeakPolarHBondContact O-CB 3.38Å; I197-Y201 PolarHBondContact O-N 3.28Å; Y201-Q205 PolarHBondContact O-OE1 3.49Å; Y201-M536 HydrophobicContact CD1-CE 3.82Å; Y201-M536 HydrophobicContact CE1-CB 4.47Å; Y201-M536 HydrophobicContact CE1-CE 3.95Å; Y201-M536 HydrophobicContact CG-CE 4.29Å; Y201-M536 PolarHBondContact OH-O 3.42Å; Y201-R542 HydrophobicContact CE1-CG 4.49Å; Y201-P543 HydrophobicContact CD1-CG 3.98Å; Y201-A545 WeakPolarHBondContact O-CA 3.44Å |
| 202 | G | 93.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | trans | 100 | 171.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R198 A206 | R198-G202 WeakPolarHBondContact O-CA 3.33Å; R198-G202 PolarHBondContact O-N 3.47Å; G202-A206 WeakPolarHBondContact O-CB 3.46Å; G202-A206 PolarHBondContact O-N 2.99Å | ||
| 203 | E | 93.1 | Very high | 94.1 | Very high | 16 Ų | 16 | 21.1 Ų | 21.1 | 8% | 0.075 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -68.9 | -36.8 | -173.8 | -68.1 | 79.2 | -171 | 0 | 0 | 113.7 | R198 Q205 A206 L207 W269 T271 | R198-E203 HydrophobicContact CG-CG 3.92Å; R198-E203 IonicContact CZ-OE1 2.84Å; R198-E203 VanDerWaalsContact CZ-OE1 3.3Å; R198-E203 IonicContact NE-OE1 2.67Å; R198-E203 PolarHBondContact NE-OE1 3.04Å; R198-E203 IonicContact NH2-OE1 3.94Å; R198-E203 PolarHBondContact NH2-OE1 3.42Å; E203-Q205 PolarHBondContact O-N 3.14Å; E203-A206 PolarHBondContact O-N 2.95Å; E203-L207 WeakPolarHBondContact O-CB 3.33Å; E203-L207 WeakPolarHBondContact O-CG 3.35Å; E203-L207 PolarHBondContact O-N 3.21Å; E203-W269 HydrophobicContact CB-CE3 3.97Å; E203-W269 HydrophobicContact CB-CZ3 4.43Å; E203-W269 HydrophobicContact CG-CB 3.91Å; E203-W269 HydrophobicContact CG-CD2 4.23Å; E203-W269 HydrophobicContact CG-CE3 3.8Å; E203-W269 HydrophobicContact CG-CG 4.32Å; E203-T271 HydrophobicContact CB-CG2 4.12Å; E203-T271 HydrophobicContact CG-CG2 3.64Å |
| 204 | G | 91.6 | Very high | 94.3 | Very high | 12 Ų | 12 | 22 Ų | 22 | 12% | 0.124 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.9 | -45.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y208 D546 | G204-Y208 PolarHBondContact O-N 2.83Å; G204-D546 PolarHBondContact N-O 3.27Å |
| 205 | Q | 93.6 | Very high | 94.3 | Very high | 9 Ų | 9 | 21 Ų | 21 | 4% | 0.042 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -70.9 | -42 | 177.7 | -66.9 | 75.5 | 5.6 | 0 | 0 | 110.7 | Y201 E203 L207 Y208 F209 M536 P543 | Y201-Q205 PolarHBondContact O-OE1 3.49Å; E203-Q205 PolarHBondContact O-N 3.14Å; Q205-L207 VanDerWaalsContact C-N 3.32Å; Q205-L207 PolarHBondContact O-N 3.14Å; Q205-Y208 WeakPolarHBondContact O-CB 3.39Å; Q205-Y208 PolarHBondContact O-N 3.44Å; Q205-Y208 VanDerWaalsContact O-N 3.17Å; Q205-F209 WeakPolarHBondContact O-CD2 3.37Å; Q205-F209 PolarHBondContact O-N 3.35Å; Q205-F209 VanDerWaalsContact O-N 3.13Å; Q205-M536 HydrophobicContact CG-CE 4.07Å; Q205-P543 HydrophobicContact CG-CG 4.36Å |
| 206 | A | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.6 | -35.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I197 R198 G202 E203 Y208 G210 W269 | I197-A206 HydrophobicContact CG2-CB 4.24Å; R198-A206 HydrophobicContact CB-CB 3.61Å; R198-A206 HydrophobicContact CG-CB 4.29Å; G202-A206 WeakPolarHBondContact O-CB 3.46Å; G202-A206 PolarHBondContact O-N 2.99Å; E203-A206 PolarHBondContact O-N 2.95Å; A206-Y208 VanDerWaalsContact C-N 3.34Å; A206-G210 PolarHBondContact O-N 3.45Å; A206-W269 HydrophobicContact CB-CH2 3.58Å; A206-W269 HydrophobicContact CB-CZ2 4.16Å; A206-W269 HydrophobicContact CB-CZ3 3.99Å |
| 207 | L | 95.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.8 | -39.8 | 172.6 | -82.3 | -175.5 | 0 | 0 | 0 | 112 | E203 Q205 G210 F211 W269 A548 | E203-L207 WeakPolarHBondContact O-CB 3.33Å; E203-L207 WeakPolarHBondContact O-CG 3.35Å; E203-L207 PolarHBondContact O-N 3.21Å; Q205-L207 VanDerWaalsContact C-N 3.32Å; Q205-L207 PolarHBondContact O-N 3.14Å; L207-G210 PolarHBondContact O-N 3.44Å; L207-F211 WeakPolarHBondContact O-CB 3.44Å; L207-F211 PolarHBondContact O-N 3.2Å; L207-W269 HydrophobicContact CD2-CE3 4.47Å; L207-W269 HydrophobicContact CD2-CH2 4.29Å; L207-W269 HydrophobicContact CD2-CZ3 3.65Å; L207-W269 HydrophobicContact CG-CZ3 3.75Å; L207-A548 HydrophobicContact CD1-CB 3.71Å |
| 208 | Y | 95.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.008 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.9 | -53.8 | 176.2 | 166.1 | -102.9 | 0 | 0 | 0 | 111.4 | G204 Q205 A206 G210 F211 L212 T493 D496 Y497 L500 D532 | G204-Y208 PolarHBondContact O-N 2.83Å; Q205-Y208 WeakPolarHBondContact O-CB 3.39Å; Q205-Y208 PolarHBondContact O-N 3.44Å; Q205-Y208 VanDerWaalsContact O-N 3.17Å; A206-Y208 VanDerWaalsContact C-N 3.34Å; Y208-G210 VanDerWaalsContact C-N 3.27Å; Y208-G210 PolarHBondContact O-N 3.29Å; Y208-F211 WeakPolarHBondContact O-CB 3.43Å; Y208-F211 PolarHBondContact O-N 2.98Å; Y208-L212 HydrophobicContact CE1-CD2 4.36Å; Y208-L212 PolarHBondContact O-N 3.2Å; Y208-T493 HydrophobicContact CG-CG2 4.19Å; Y208-D496 HydrophobicContact CD2-CB 4.11Å; Y208-D496 HydrophobicContact CE1-CB 4.12Å; Y208-D496 HydrophobicContact CE2-CB 3.41Å; Y208-D496 VanDerWaalsContact CE2-CB 3.41Å; Y208-D496 VanDerWaalsContact CZ-CB 3.43Å; Y208-Y497 WeakPolarHBondContact CA-OH 3.23Å; Y208-Y497 HydrophobicContact CD2-CD1 4.12Å; Y208-Y497 HydrophobicContact CD2-CD2 4.24Å; Y208-Y497 AromaticContact CD2-CE1 3.96Å; Y208-Y497 HydrophobicContact CD2-CE1 3.96Å; Y208-Y497 HydrophobicContact CD2-CE2 4.07Å; Y208-Y497 HydrophobicContact CD2-CG 4.24Å; Y208-Y497 AromaticContact CD2-CZ 3.93Å; Y208-Y497 PolarHBondContact N-OH 3.28Å; Y208-L500 HydrophobicContact CE2-CD1 3.94Å; Y208-D532 VanDerWaalsContact CE1-OD2 3.3Å; Y208-D532 WeakPolarHBondContact CE1-OD2 3.4Å; Y208-D532 VanDerWaalsContact CZ-OD2 3.29Å; Y208-D532 PolarHBondContact OH-OD2 2.85Å |
| 209 | F | 95.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.009 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.6 | -34.6 | 178.4 | -77.5 | -76.2 | 0 | 0 | 0 | 112.7 | W183 Q192 L194 I197 Q205 L212 E213 D532 M536 | W183-F209 AromaticContact CH2-CD2 3.95Å; W183-F209 HydrophobicContact CH2-CD2 3.95Å; W183-F209 HydrophobicContact CH2-CE1 4.19Å; W183-F209 AromaticContact CH2-CE2 3.48Å; W183-F209 HydrophobicContact CH2-CE2 3.48Å; W183-F209 VanDerWaalsContact CH2-CE2 3.48Å; W183-F209 HydrophobicContact CH2-CG 4.5Å; W183-F209 AromaticContact CH2-CZ 3.6Å; W183-F209 HydrophobicContact CH2-CZ 3.6Å; W183-F209 AromaticContact CZ2-CD1 3.61Å; W183-F209 HydrophobicContact CZ2-CD1 3.61Å; W183-F209 AromaticContact CZ2-CD2 3.55Å; W183-F209 HydrophobicContact CZ2-CD2 3.55Å; W183-F209 AromaticContact CZ2-CE1 3.44Å; W183-F209 HydrophobicContact CZ2-CE1 3.44Å; W183-F209 VanDerWaalsContact CZ2-CE1 3.44Å; W183-F209 AromaticContact CZ2-CE2 3.4Å; W183-F209 HydrophobicContact CZ2-CE2 3.4Å; W183-F209 AromaticContact CZ2-CG 3.65Å; W183-F209 HydrophobicContact CZ2-CG 3.65Å; W183-F209 AromaticContact CZ2-CZ 3.33Å; W183-F209 HydrophobicContact CZ2-CZ 3.33Å; Q192-F209 PolarHBondContact NE2-O 2.91Å; L194-F209 HydrophobicContact CD2-CB 4.26Å; I197-F209 HydrophobicContact CD1-CB 4.31Å; I197-F209 HydrophobicContact CG2-CD2 4.18Å; Q205-F209 WeakPolarHBondContact O-CD2 3.37Å; Q205-F209 PolarHBondContact O-N 3.35Å; Q205-F209 VanDerWaalsContact O-N 3.13Å; F209-L212 HydrophobicContact CD1-CD2 4.37Å; F209-L212 PolarHBondContact O-N 2.98Å; F209-E213 WeakPolarHBondContact O-CB 3.45Å; F209-E213 PolarHBondContact O-N 2.99Å; F209-D532 HydrophobicContact CE1-CB 3.52Å; F209-D532 HydrophobicContact CZ-CB 3.67Å; F209-M536 HydrophobicContact CE2-CG 4.29Å; F209-M536 HydrophobicContact CZ-CG 4.17Å |
| 210 | G | 95.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 13.9 Ų | 13.9 | 4% | 0.041 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.9 | -39.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | A206 L207 Y208 Y214 | A206-G210 PolarHBondContact O-N 3.45Å; L207-G210 PolarHBondContact O-N 3.44Å; Y208-G210 VanDerWaalsContact C-N 3.27Å; Y208-G210 PolarHBondContact O-N 3.29Å; G210-Y214 VanDerWaalsContact O-CB 3.23Å; G210-Y214 WeakPolarHBondContact O-CB 3.24Å; G210-Y214 PolarHBondContact O-N 3.46Å |
| 211 | F | 96.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 0% | 0.004 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -69.3 | -45.6 | 175.2 | -177.3 | -113 | 0 | 0 | 0 | 111.3 | L207 Y208 E213 Y214 F215 W258 Y497 L500 I551 F558 | L207-F211 WeakPolarHBondContact O-CB 3.44Å; L207-F211 PolarHBondContact O-N 3.2Å; Y208-F211 WeakPolarHBondContact O-CB 3.43Å; Y208-F211 PolarHBondContact O-N 2.98Å; F211-E213 VanDerWaalsContact C-N 3.34Å; F211-E213 PolarHBondContact O-N 3.22Å; F211-Y214 PolarHBondContact O-N 3.36Å; F211-F215 HydrophobicContact CE1-CB 4.47Å; F211-F215 HydrophobicContact CZ-CB 4.43Å; F211-F215 HydrophobicContact CZ-CD2 4.27Å; F211-F215 HydrophobicContact CZ-CG 4.4Å; F211-F215 WeakPolarHBondContact O-CB 3.5Å; F211-F215 PolarHBondContact O-N 3.38Å; F211-W258 HydrophobicContact CB-CH2 3.64Å; F211-W258 HydrophobicContact CB-CZ2 3.54Å; F211-W258 HydrophobicContact CB-CZ3 4.26Å; F211-W258 AromaticContact CD2-CD1 3.85Å; F211-W258 AromaticContact CD2-CD2 3.55Å; F211-W258 HydrophobicContact CD2-CD2 3.55Å; F211-W258 AromaticContact CD2-CE2 3.37Å; F211-W258 HydrophobicContact CD2-CE3 4.05Å; F211-W258 AromaticContact CD2-CG 3.89Å; F211-W258 HydrophobicContact CD2-CG 3.89Å; F211-W258 HydrophobicContact CD2-CH2 4.25Å; F211-W258 AromaticContact CD2-CZ2 3.77Å; F211-W258 HydrophobicContact CD2-CZ2 3.77Å; F211-W258 HydrophobicContact CD2-CZ3 4.36Å; F211-W258 AromaticContact CD2-NE1 3.54Å; F211-W258 AromaticContact CE2-CD1 3.88Å; F211-W258 HydrophobicContact CE2-CD2 4.18Å; F211-W258 HydrophobicContact CE2-CG 4.02Å; F211-W258 AromaticContact CE2-NE1 3.96Å; F211-W258 HydrophobicContact CG-CH2 4.46Å; F211-W258 HydrophobicContact CG-CZ2 4.08Å; F211-W258 VanDerWaalsContact N-CH2 3.26Å; F211-Y497 HydrophobicContact CB-CE1 4.11Å; F211-Y497 AromaticContact CD1-CD1 3.9Å; F211-Y497 HydrophobicContact CD1-CD1 3.9Å; F211-Y497 AromaticContact CD1-CE1 3.61Å; F211-Y497 HydrophobicContact CD1-CE1 3.61Å; F211-Y497 HydrophobicContact CE1-CD1 4.29Å; F211-Y497 HydrophobicContact CE1-CE1 4.36Å; F211-Y497 HydrophobicContact CG-CE1 4.07Å; F211-L500 HydrophobicContact CD1-CD1 3.79Å; F211-L500 HydrophobicContact CE1-CB 4.42Å; F211-L500 HydrophobicContact CE1-CD1 4.02Å; F211-I551 HydrophobicContact CB-CG2 4.44Å; F211-I551 HydrophobicContact CD2-CD1 4.46Å; F211-I551 HydrophobicContact CE2-CD1 4.27Å; F211-I551 HydrophobicContact CZ-CD1 4.5Å; F211-F558 HydrophobicContact CE1-CD2 4.43Å; F211-F558 HydrophobicContact CE1-CE1 4.36Å; F211-F558 AromaticContact CE1-CE2 3.57Å; F211-F558 HydrophobicContact CE1-CE2 3.57Å; F211-F558 AromaticContact CE1-CZ 3.55Å; F211-F558 HydrophobicContact CE1-CZ 3.55Å; F211-F558 AromaticContact CZ-CD2 3.96Å; F211-F558 HydrophobicContact CZ-CD2 3.96Å; F211-F558 HydrophobicContact CZ-CE1 4.12Å; F211-F558 AromaticContact CZ-CE2 3.54Å; F211-F558 HydrophobicContact CZ-CE2 3.54Å; F211-F558 HydrophobicContact CZ-CG 4.48Å; F211-F558 AromaticContact CZ-CZ 3.65Å; F211-F558 HydrophobicContact CZ-CZ 3.65Å |
| 212 | L | 95.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -56.9 | -47.1 | 176.6 | 176 | 63.5 | 0 | 0 | 0 | 111.3 | Y208 F209 T216 L500 N525 E528 V529 | Y208-L212 HydrophobicContact CE1-CD2 4.36Å; Y208-L212 PolarHBondContact O-N 3.2Å; F209-L212 HydrophobicContact CD1-CD2 4.37Å; F209-L212 PolarHBondContact O-N 2.98Å; L212-T216 WeakPolarHBondContact O-CB 3.34Å; L212-T216 PolarHBondContact O-N 3.15Å; L212-T216 PolarHBondContact O-OG1 3.41Å; L212-L500 HydrophobicContact CB-CD1 4.26Å; L212-L500 HydrophobicContact CD1-CD1 3.98Å; L212-L500 HydrophobicContact CD1-CD2 3.59Å; L212-L500 HydrophobicContact CD1-CG 4.37Å; L212-N525 HydrophobicContact CD1-CB 4.25Å; L212-E528 HydrophobicContact CD1-CB 4.5Å; L212-V529 HydrophobicContact CD2-CB 4.32Å; L212-V529 HydrophobicContact CD2-CG2 3.63Å; L212-V529 HydrophobicContact CG-CG2 3.71Å |
| 213 | E | 93.7 | Very high | 94.4 | Very high | 25 Ų | 25 | 15.7 Ų | 15.7 | 12% | 0.117 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.2 | -55 | 174.2 | 179.2 | 170.4 | 99.7 | 0 | 0 | 111.7 | L191 Q192 F209 F211 F215 T216 F217 | L191-E213 WeakPolarHBondContact CA-OE2 3.48Å; L191-E213 WeakPolarHBondContact CD2-OE1 3.34Å; Q192-E213 VanDerWaalsContact CB-OE2 3.31Å; Q192-E213 WeakPolarHBondContact CB-OE2 3.49Å; Q192-E213 WeakPolarHBondContact CG-OE2 3.36Å; Q192-E213 PolarHBondContact N-OE2 3.3Å; F209-E213 WeakPolarHBondContact O-CB 3.45Å; F209-E213 PolarHBondContact O-N 2.99Å; F211-E213 VanDerWaalsContact C-N 3.34Å; F211-E213 PolarHBondContact O-N 3.22Å; E213-F215 VanDerWaalsContact C-N 3.29Å; E213-F215 PolarHBondContact O-N 2.89Å; E213-T216 WeakPolarHBondContact O-CB 3.29Å; E213-T216 PolarHBondContact O-N 3.06Å; E213-F217 HydrophobicContact CG-CD2 3.78Å; E213-F217 HydrophobicContact CG-CE2 3.55Å; E213-F217 VanDerWaalsContact O-CD2 3.23Å; E213-F217 WeakPolarHBondContact O-CD2 3.47Å; E213-F217 PolarHBondContact O-N 3.27Å; E213-F217 VanDerWaalsContact O-N 3.13Å |
| 214 | Y | 95.3 | Very high | 94.3 | Very high | 46 Ų | 46 | 20.5 Ų | 20.5 | 18% | 0.18 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.7 | -47.7 | -178.6 | 171.6 | -95.9 | 0 | 0 | 0 | 111.1 | G210 F211 F217 A218 I254 L257 W258 | G210-Y214 VanDerWaalsContact O-CB 3.23Å; G210-Y214 WeakPolarHBondContact O-CB 3.24Å; G210-Y214 PolarHBondContact O-N 3.46Å; F211-Y214 PolarHBondContact O-N 3.36Å; Y214-F217 PolarHBondContact O-N 3.22Å; Y214-A218 HydrophobicContact CE1-CB 4.12Å; Y214-A218 WeakPolarHBondContact O-CB 3.42Å; Y214-A218 PolarHBondContact O-N 3.18Å; Y214-I254 HydrophobicContact CE1-CB 4.38Å; Y214-I254 WeakPolarHBondContact CE1-O 2.91Å; Y214-I254 WeakPolarHBondContact OH-CA 3.16Å; Y214-I254 WeakPolarHBondContact OH-CB 3.2Å; Y214-I254 PolarHBondContact OH-O 3Å; Y214-L257 WeakPolarHBondContact OH-CB 3.42Å; Y214-W258 HydrophobicContact CD1-CB 3.98Å; Y214-W258 HydrophobicContact CD1-CD2 4.19Å; Y214-W258 AromaticContact CD1-CE3 3.66Å; Y214-W258 HydrophobicContact CD1-CE3 3.66Å; Y214-W258 HydrophobicContact CD1-CG 4.32Å; Y214-W258 HydrophobicContact CD2-CE3 4.27Å; Y214-W258 HydrophobicContact CE1-CB 3.64Å; Y214-W258 HydrophobicContact CE1-CE3 4.44Å; Y214-W258 HydrophobicContact CE1-CG 4.44Å; Y214-W258 AromaticContact CG-CE3 3.59Å; Y214-W258 HydrophobicContact CG-CE3 3.59Å; Y214-W258 HydrophobicContact CG-CZ3 4.16Å |
| 215 | F | 95.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.009 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.1 | -39.7 | -177 | -171.3 | -115.7 | 0 | 0 | 0 | 111.4 | F211 E213 F217 A218 L219 L500 F504 | F211-F215 HydrophobicContact CE1-CB 4.47Å; F211-F215 HydrophobicContact CZ-CB 4.43Å; F211-F215 HydrophobicContact CZ-CD2 4.27Å; F211-F215 HydrophobicContact CZ-CG 4.4Å; F211-F215 WeakPolarHBondContact O-CB 3.5Å; F211-F215 PolarHBondContact O-N 3.38Å; E213-F215 VanDerWaalsContact C-N 3.29Å; E213-F215 PolarHBondContact O-N 2.89Å; F215-F217 PolarHBondContact O-N 3.41Å; F215-A218 PolarHBondContact O-N 3.14Å; F215-L219 HydrophobicContact CD1-CD1 4.14Å; F215-L219 HydrophobicContact CE1-CD1 3.58Å; F215-L219 HydrophobicContact CE1-CG 4.26Å; F215-L219 HydrophobicContact CE2-CD1 4.37Å; F215-L219 HydrophobicContact CE2-CD2 4.2Å; F215-L219 HydrophobicContact CE2-CG 4.22Å; F215-L219 HydrophobicContact CZ-CD1 3.68Å; F215-L219 HydrophobicContact CZ-CD2 4.08Å; F215-L219 HydrophobicContact CZ-CG 4.01Å; F215-L219 WeakPolarHBondContact O-CG 3.41Å; F215-L219 PolarHBondContact O-N 3.42Å; F215-L500 HydrophobicContact CD1-CD2 4.3Å; F215-F504 HydrophobicContact CE1-CB 4.47Å; F215-F504 HydrophobicContact CE2-CB 4.23Å; F215-F504 AromaticContact CE2-CD2 3.65Å; F215-F504 HydrophobicContact CE2-CD2 3.65Å; F215-F504 HydrophobicContact CE2-CE2 4.38Å; F215-F504 HydrophobicContact CE2-CG 4.19Å; F215-F504 HydrophobicContact CZ-CB 3.6Å; F215-F504 AromaticContact CZ-CD2 3.68Å; F215-F504 HydrophobicContact CZ-CD2 3.68Å; F215-F504 HydrophobicContact CZ-CG 4.01Å |
| 216 | T | 93.8 | Very high | 94 | Very high | 10 Ų | 10 | 24.6 Ų | 24.6 | 6% | 0.061 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.2 | -50.9 | 173.3 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | L212 E213 A218 L219 V220 N525 V526 | L212-T216 WeakPolarHBondContact O-CB 3.34Å; L212-T216 PolarHBondContact O-N 3.15Å; L212-T216 PolarHBondContact O-OG1 3.41Å; E213-T216 WeakPolarHBondContact O-CB 3.29Å; E213-T216 PolarHBondContact O-N 3.06Å; T216-A218 PolarHBondContact O-N 3.06Å; T216-L219 PolarHBondContact O-N 3.15Å; T216-V220 PolarHBondContact O-N 3.45Å; T216-N525 HydrophobicContact CG2-CB 4.01Å; T216-N525 WeakPolarHBondContact OG1-CB 3.49Å; T216-V526 HydrophobicContact CG2-CG2 3.95Å |
| 217 | F | 93.8 | Very high | 93.7 | Very high | 96 Ų | 96 | 27 Ų | 27 | 42% | 0.421 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -67.9 | -34.8 | 178.1 | -70.4 | -59.5 | 0 | 0 | 0 | 112.8 | L191 E213 Y214 F215 L219 V220 P221 | L191-F217 HydrophobicContact CD2-CE2 4.14Å; E213-F217 HydrophobicContact CG-CD2 3.78Å; E213-F217 HydrophobicContact CG-CE2 3.55Å; E213-F217 VanDerWaalsContact O-CD2 3.23Å; E213-F217 WeakPolarHBondContact O-CD2 3.47Å; E213-F217 PolarHBondContact O-N 3.27Å; E213-F217 VanDerWaalsContact O-N 3.13Å; Y214-F217 PolarHBondContact O-N 3.22Å; F215-F217 PolarHBondContact O-N 3.41Å; F217-L219 VanDerWaalsContact C-N 3.28Å; F217-L219 PolarHBondContact O-N 3Å; F217-V220 PolarHBondContact O-N 2.98Å; F217-P221 WeakPolarHBondContact O-CD 3.45Å |
| 218 | A | 95 | Very high | 93.4 | Very high | 7 Ų | 7 | 28.7 Ų | 28.7 | 6% | 0.058 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.8 | -28.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y214 F215 T216 W250 I254 | Y214-A218 HydrophobicContact CE1-CB 4.12Å; Y214-A218 WeakPolarHBondContact O-CB 3.42Å; Y214-A218 PolarHBondContact O-N 3.18Å; F215-A218 PolarHBondContact O-N 3.14Å; T216-A218 PolarHBondContact O-N 3.06Å; A218-W250 PolarHBondContact O-NE1 2.92Å; A218-I254 HydrophobicContact CB-CB 4.04Å; A218-I254 HydrophobicContact CB-CD1 4.31Å; A218-I254 HydrophobicContact CB-CG2 3.78Å |
| 219 | L | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -82.3 | -18 | 176.1 | -69.3 | -177.5 | 0 | 0 | 0 | 113.8 | F215 T216 F217 M222 A223 V507 V521 V522 | F215-L219 HydrophobicContact CD1-CD1 4.14Å; F215-L219 HydrophobicContact CE1-CD1 3.58Å; F215-L219 HydrophobicContact CE1-CG 4.26Å; F215-L219 HydrophobicContact CE2-CD1 4.37Å; F215-L219 HydrophobicContact CE2-CD2 4.2Å; F215-L219 HydrophobicContact CE2-CG 4.22Å; F215-L219 HydrophobicContact CZ-CD1 3.68Å; F215-L219 HydrophobicContact CZ-CD2 4.08Å; F215-L219 HydrophobicContact CZ-CG 4.01Å; F215-L219 WeakPolarHBondContact O-CG 3.41Å; F215-L219 PolarHBondContact O-N 3.42Å; T216-L219 PolarHBondContact O-N 3.15Å; F217-L219 VanDerWaalsContact C-N 3.28Å; F217-L219 PolarHBondContact O-N 3Å; L219-M222 HydrophobicContact CD2-CE 3.54Å; L219-M222 HydrophobicContact CD2-SD 3.84Å; L219-M222 WeakPolarHBondContact O-CB 3.23Å; L219-M222 PolarHBondContact O-N 3.26Å; L219-A223 PolarHBondContact O-N 3.28Å; L219-V507 HydrophobicContact CD2-CG1 4.29Å; L219-V521 HydrophobicContact CD1-CB 4.15Å; L219-V521 HydrophobicContact CD1-CG1 3.36Å; L219-V522 HydrophobicContact CB-CG2 3.57Å |
| 220 | V | 94.2 | Very high | 92.3 | Very high | 51 Ų | 51 | 36.3 Ų | 36.3 | 31% | 0.309 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -56.4 | -46 | -179.9 | 171.4 | 0 | 0 | 0 | 0 | 112.2 | T216 F217 M222 A223 L224 V522 | T216-V220 PolarHBondContact O-N 3.45Å; F217-V220 PolarHBondContact O-N 2.98Å; V220-M222 VanDerWaalsContact C-N 3.34Å; V220-M222 PolarHBondContact O-N 2.99Å; V220-A223 WeakPolarHBondContact O-CB 3.36Å; V220-A223 PolarHBondContact O-N 3.37Å; V220-L224 HydrophobicContact CG1-CD1 3.9Å; V220-L224 HydrophobicContact CG1-CG 4.15Å; V220-L224 WeakPolarHBondContact O-CG 3.46Å; V220-L224 PolarHBondContact O-N 3.42Å; V220-V522 HydrophobicContact CG2-CG1 4.14Å; V220-V522 HydrophobicContact CG2-CG2 4.38Å |
| 221 | P | 94.3 | Very high | 91.9 | Very high | 34 Ų | 34 | 42.6 Ų | 42.6 | 22% | 0.221 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.5 | -41.8 | 174.2 | -30.6 | 40.9 | 0 | 0 | 0 | 113.2 | F217 A223 L224 F225 F246 W250 | F217-P221 WeakPolarHBondContact O-CD 3.45Å; P221-A223 VanDerWaalsContact C-N 3.32Å; P221-A223 PolarHBondContact O-N 2.95Å; P221-L224 PolarHBondContact O-N 3.37Å; P221-F225 VanDerWaalsContact O-CD2 3.3Å; P221-F225 WeakPolarHBondContact O-CD2 3.31Å; P221-F225 PolarHBondContact O-N 2.69Å; P221-F246 HydrophobicContact CB-CZ 4.36Å; P221-W250 HydrophobicContact CB-CH2 4.48Å; P221-W250 HydrophobicContact CB-CZ2 3.87Å; P221-W250 HydrophobicContact CG-CH2 4.12Å; P221-W250 HydrophobicContact CG-CZ2 3.53Å |
| 222 | M | 92.4 | Very high | 91.4 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.3 | -42 | 175.7 | -60.2 | -170.7 | -143.7 | 0 | 0 | 111.8 | L219 V220 F225 G226 F246 W250 I254 V507 A518 | L219-M222 HydrophobicContact CD2-CE 3.54Å; L219-M222 HydrophobicContact CD2-SD 3.84Å; L219-M222 WeakPolarHBondContact O-CB 3.23Å; L219-M222 PolarHBondContact O-N 3.26Å; V220-M222 VanDerWaalsContact C-N 3.34Å; V220-M222 PolarHBondContact O-N 2.99Å; M222-F225 PolarHBondContact O-N 2.77Å; M222-G226 PolarHBondContact O-N 3.14Å; M222-F246 HydrophobicContact CG-CE1 4.38Å; M222-W250 VanDerWaalsContact CE-CD1 3.46Å; M222-W250 VanDerWaalsContact CG-CD1 3.45Å; M222-I254 HydrophobicContact CE-CD1 3.7Å; M222-V507 HydrophobicContact SD-CG1 3.7Å; M222-A518 HydrophobicContact CB-CB 3.86Å |
| 223 | A | 92.6 | Very high | 90.6 | Very high | 10 Ų | 10 | 54 Ų | 54 | 8% | 0.083 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | L219 V220 P221 G226 V227 A518 V519 V522 | L219-A223 PolarHBondContact O-N 3.28Å; V220-A223 WeakPolarHBondContact O-CB 3.36Å; V220-A223 PolarHBondContact O-N 3.37Å; P221-A223 VanDerWaalsContact C-N 3.32Å; P221-A223 PolarHBondContact O-N 2.95Å; A223-G226 PolarHBondContact O-N 3.44Å; A223-V227 WeakPolarHBondContact O-CG2 3.43Å; A223-V227 PolarHBondContact O-N 2.95Å; A223-V227 VanDerWaalsContact O-N 3.1Å; A223-A518 HydrophobicContact CB-CB 4.07Å; A223-V519 HydrophobicContact CB-CG2 3.9Å; A223-V522 HydrophobicContact CB-CG2 4.26Å |
| 224 | L | 92.3 | Very high | 89.9 | Confident | 117 Ų | 117 | 57.5 Ų | 57.5 | 61% | 0.613 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -65.6 | -38.4 | 178.8 | -70.4 | 175.9 | 0 | 0 | 0 | 112.6 | V220 P221 P228 | V220-L224 HydrophobicContact CG1-CD1 3.9Å; V220-L224 HydrophobicContact CG1-CG 4.15Å; V220-L224 WeakPolarHBondContact O-CG 3.46Å; V220-L224 PolarHBondContact O-N 3.42Å; P221-L224 PolarHBondContact O-N 3.37Å; L224-P228 WeakPolarHBondContact O-CD 3.36Å |
| 225 | F | 89.5 | Confident | 88.7 | Confident | 107 Ų | 107 | 59.7 Ų | 59.7 | 47% | 0.469 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -72.8 | -34.6 | 173.5 | -85.2 | -89.1 | 0 | 0 | 0 | 111.9 | P221 M222 P228 Y229 F243 F246 | P221-F225 VanDerWaalsContact O-CD2 3.3Å; P221-F225 WeakPolarHBondContact O-CD2 3.31Å; P221-F225 PolarHBondContact O-N 2.69Å; M222-F225 PolarHBondContact O-N 2.77Å; F225-P228 WeakPolarHBondContact O-CD 3.11Å; F225-Y229 WeakPolarHBondContact O-CD2 3.13Å; F225-F243 HydrophobicContact CB-CE2 4.21Å; F225-F246 HydrophobicContact CB-CD1 4.41Å; F225-F246 HydrophobicContact CB-CE1 4Å; F225-F246 HydrophobicContact CB-CZ 4.47Å; F225-F246 AromaticContact CD2-CE1 3.93Å; F225-F246 HydrophobicContact CD2-CE1 3.93Å; F225-F246 AromaticContact CD2-CE2 3.95Å; F225-F246 HydrophobicContact CD2-CE2 3.95Å; F225-F246 AromaticContact CD2-CZ 3.53Å; F225-F246 HydrophobicContact CD2-CZ 3.53Å; F225-F246 AromaticContact CE2-CE2 3.88Å; F225-F246 HydrophobicContact CE2-CE2 3.88Å; F225-F246 AromaticContact CE2-CZ 3.92Å; F225-F246 HydrophobicContact CE2-CZ 3.92Å; F225-F246 HydrophobicContact CG-CD1 4.4Å; F225-F246 HydrophobicContact CG-CE1 4.01Å; F225-F246 HydrophobicContact CG-CZ 4.06Å; F225-F246 HydrophobicContact CZ-CE2 4.38Å |
| 226 | G | 88 | Confident | 87.8 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.8 | -31 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | M222 A223 Y229 Y230 | M222-G226 PolarHBondContact O-N 3.14Å; A223-G226 PolarHBondContact O-N 3.44Å; G226-Y229 WeakPolarHBondContact O-CB 2.79Å; G226-Y229 PolarHBondContact O-N 3.32Å; G226-Y230 PolarHBondContact O-N 2.91Å; G226-Y230 VanDerWaalsContact O-N 3.16Å |
| 227 | V | 90.4 | Very high | 86.7 | Confident | 49 Ų | 49 | 66.3 Ų | 66.3 | 30% | 0.297 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.3 | -52 | -177.8 | 166.6 | 0 | 0 | 0 | 0 | 113.1 | A223 Y229 Y230 M231 L516 V519 | A223-V227 WeakPolarHBondContact O-CG2 3.43Å; A223-V227 PolarHBondContact O-N 2.95Å; A223-V227 VanDerWaalsContact O-N 3.1Å; V227-Y229 PolarHBondContact O-N 3.44Å; V227-Y230 PolarHBondContact O-N 3.22Å; V227-M231 HydrophobicContact CG1-CG 4.11Å; V227-M231 HydrophobicContact CG1-SD 3.6Å; V227-M231 VanDerWaalsContact CG1-SD 3.6Å; V227-M231 WeakPolarHBondContact O-CB 3.02Å; V227-M231 WeakPolarHBondContact O-CG 3.34Å; V227-M231 PolarHBondContact O-N 3.45Å; V227-L516 HydrophobicContact CG2-CD2 4.26Å; V227-V519 HydrophobicContact CG2-CG2 3.56Å |
| 228 | P | 88.6 | Confident | 85.9 | Confident | 38 Ų | 38 | 67.2 Ų | 67.2 | 25% | 0.247 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59 | -36.6 | 175.6 | -25.5 | 34.4 | 0 | 0 | 0 | 112.8 | L224 F225 Y230 M231 F232 W234 | L224-P228 WeakPolarHBondContact O-CD 3.36Å; F225-P228 WeakPolarHBondContact O-CD 3.11Å; P228-Y230 VanDerWaalsContact C-N 3.3Å; P228-Y230 PolarHBondContact O-N 3.18Å; P228-M231 PolarHBondContact O-N 3.06Å; P228-F232 HydrophobicContact CB-CD2 3.97Å; P228-F232 HydrophobicContact CB-CE2 4.18Å; P228-F232 WeakPolarHBondContact O-CB 3.3Å; P228-F232 VanDerWaalsContact O-CD2 3.31Å; P228-F232 WeakPolarHBondContact O-CD2 3.39Å; P228-F232 PolarHBondContact O-N 2.85Å; P228-W234 HydrophobicContact CB-CE3 4.33Å; P228-W234 HydrophobicContact CB-CH2 4.13Å; P228-W234 HydrophobicContact CB-CZ3 3.86Å |
| 229 | Y | 85.1 | Confident | 85.3 | Confident | 30 Ų | 30 | 69.8 Ų | 69.8 | 12% | 0.118 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 179.9 | -89.3 | -104.3 | 0 | 0 | 0 | 112.1 | F225 G226 V227 D233 W234 K239 F243 | F225-Y229 WeakPolarHBondContact O-CD2 3.13Å; G226-Y229 WeakPolarHBondContact O-CB 2.79Å; G226-Y229 PolarHBondContact O-N 3.32Å; V227-Y229 PolarHBondContact O-N 3.44Å; Y229-D233 PolarHBondContact O-N 2.79Å; Y229-W234 HydrophobicContact CD1-CB 4.09Å; Y229-W234 AromaticContact CD2-CE3 3.82Å; Y229-W234 HydrophobicContact CD2-CE3 3.82Å; Y229-W234 HydrophobicContact CD2-CZ3 4.33Å; Y229-W234 AromaticContact CE2-CE3 3.88Å; Y229-W234 HydrophobicContact CE2-CE3 3.88Å; Y229-W234 HydrophobicContact CE2-CZ3 4.24Å; Y229-W234 HydrophobicContact CG-CB 4.38Å; Y229-W234 HydrophobicContact CG-CE3 4.27Å; Y229-W234 PolarHBondContact O-N 3.13Å; Y229-W234 VanDerWaalsContact O-N 3.09Å; Y229-K239 HydrophobicContact CE1-CB 3.65Å; Y229-K239 VanDerWaalsContact CE1-O 3.24Å; Y229-K239 WeakPolarHBondContact CE1-O 3.48Å; Y229-K239 PolarHBondContact OH-O 3.08Å; Y229-F243 HydrophobicContact CD1-CB 4.27Å; Y229-F243 HydrophobicContact CD1-CG 4.45Å; Y229-F243 HydrophobicContact CD2-CD2 4.44Å; Y229-F243 HydrophobicContact CE1-CB 3.67Å; Y229-F243 HydrophobicContact CE1-CG 4.28Å; Y229-F243 HydrophobicContact CE2-CB 4.46Å; Y229-F243 HydrophobicContact CE2-CD2 4.3Å |
| 230 | Y | 83.5 | Confident | 84.4 | Confident | 134 Ų | 134 | 72 Ų | 72 | 53% | 0.525 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -76.8 | -42.7 | 176.2 | -175 | -90.3 | 0 | 0 | 0 | 113 | G226 V227 P228 L516 | G226-Y230 PolarHBondContact O-N 2.91Å; G226-Y230 VanDerWaalsContact O-N 3.16Å; V227-Y230 PolarHBondContact O-N 3.22Å; P228-Y230 VanDerWaalsContact C-N 3.3Å; P228-Y230 PolarHBondContact O-N 3.18Å; Y230-L516 HydrophobicContact CD1-CD1 3.39Å; Y230-L516 HydrophobicContact CD1-CD2 4.23Å; Y230-L516 HydrophobicContact CD1-CG 3.88Å; Y230-L516 HydrophobicContact CD2-CD1 3.63Å; Y230-L516 HydrophobicContact CD2-CG 3.72Å; Y230-L516 HydrophobicContact CE1-CD1 3.47Å; Y230-L516 VanDerWaalsContact CE1-CD1 3.47Å; Y230-L516 HydrophobicContact CE1-CG 4.42Å; Y230-L516 HydrophobicContact CE2-CD1 3.7Å; Y230-L516 HydrophobicContact CE2-CG 4.27Å; Y230-L516 HydrophobicContact CG-CD1 3.45Å; Y230-L516 VanDerWaalsContact CG-CD1 3.45Å; Y230-L516 HydrophobicContact CG-CD2 4.04Å; Y230-L516 HydrophobicContact CG-CG 3.48Å; Y230-L516 VanDerWaalsContact CG-CG 3.48Å |
| 231 | M | 86.3 | Confident | 83.8 | Confident | 135 Ų | 135 | 71.8 Ų | 71.8 | 67% | 0.665 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -69.9 | -34.3 | -174.7 | -74.6 | -172.9 | 68.7 | 0 | 0 | 113.8 | V227 P228 | V227-M231 HydrophobicContact CG1-CG 4.11Å; V227-M231 HydrophobicContact CG1-SD 3.6Å; V227-M231 VanDerWaalsContact CG1-SD 3.6Å; V227-M231 WeakPolarHBondContact O-CB 3.02Å; V227-M231 WeakPolarHBondContact O-CG 3.34Å; V227-M231 PolarHBondContact O-N 3.45Å; P228-M231 PolarHBondContact O-N 3.06Å |
| 232 | F | 86.1 | Confident | 83.4 | Confident | 132 Ų | 132 | 72.6 Ų | 72.6 | 58% | 0.579 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | 8.1 | -177.4 | -60.9 | -62.6 | 0 | 0 | 0 | 113.4 | P228 W234 | P228-F232 HydrophobicContact CB-CD2 3.97Å; P228-F232 HydrophobicContact CB-CE2 4.18Å; P228-F232 WeakPolarHBondContact O-CB 3.3Å; P228-F232 VanDerWaalsContact O-CD2 3.31Å; P228-F232 WeakPolarHBondContact O-CD2 3.39Å; P228-F232 PolarHBondContact O-N 2.85Å; F232-W234 VanDerWaalsContact C-N 3.27Å; F232-W234 VanDerWaalsContact CB-CD1 3.49Å; F232-W234 HydrophobicContact CB-CD2 4.32Å; F232-W234 HydrophobicContact CB-CG 4.12Å; F232-W234 VanDerWaalsContact CB-NE1 3.32Å; F232-W234 HydrophobicContact CD2-CZ2 4.02Å; F232-W234 PolarHBondContact O-N 3.4Å |
| 233 | D | 77.4 | Confident | 83 | Confident | 110 Ų | 110 | 72.8 Ų | 72.8 | 59% | 0.588 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 49.9 | -179.9 | -153.6 | 30.1 | 0 | 0 | 0 | 111.6 | Y229 E235 | Y229-D233 PolarHBondContact O-N 2.79Å; D233-E235 PolarHBondContact O-N 2.95Å; D233-E235 WeakPolarHBondContact OD1-CG 3.46Å |
| 234 | W | 80 | Confident | 82.6 | Confident | 97 Ų | 97 | 72.5 Ų | 72.5 | 37% | 0.367 | 36% | 0.355 | S | S | . | . | trans | -77.5 | 59.2 | -176.6 | -82.7 | 3 | 0 | 0 | 0 | 110.9 | P228 Y229 F232 D236 K239 | P228-W234 HydrophobicContact CB-CE3 4.33Å; P228-W234 HydrophobicContact CB-CH2 4.13Å; P228-W234 HydrophobicContact CB-CZ3 3.86Å; Y229-W234 HydrophobicContact CD1-CB 4.09Å; Y229-W234 AromaticContact CD2-CE3 3.82Å; Y229-W234 HydrophobicContact CD2-CE3 3.82Å; Y229-W234 HydrophobicContact CD2-CZ3 4.33Å; Y229-W234 AromaticContact CE2-CE3 3.88Å; Y229-W234 HydrophobicContact CE2-CE3 3.88Å; Y229-W234 HydrophobicContact CE2-CZ3 4.24Å; Y229-W234 HydrophobicContact CG-CB 4.38Å; Y229-W234 HydrophobicContact CG-CE3 4.27Å; Y229-W234 PolarHBondContact O-N 3.13Å; Y229-W234 VanDerWaalsContact O-N 3.09Å; F232-W234 VanDerWaalsContact C-N 3.27Å; F232-W234 VanDerWaalsContact CB-CD1 3.49Å; F232-W234 HydrophobicContact CB-CD2 4.32Å; F232-W234 HydrophobicContact CB-CG 4.12Å; F232-W234 VanDerWaalsContact CB-NE1 3.32Å; F232-W234 HydrophobicContact CD2-CZ2 4.02Å; F232-W234 PolarHBondContact O-N 3.4Å; W234-D236 VanDerWaalsContact C-N 3.27Å; W234-D236 PolarHBondContact O-N 3.37Å; W234-K239 HydrophobicContact CB-CB 4.44Å; W234-K239 HydrophobicContact CB-CD 3.41Å; W234-K239 VanDerWaalsContact CB-CD 3.41Å; W234-K239 HydrophobicContact CD2-CD 3.89Å; W234-K239 HydrophobicContact CE3-CD 4.34Å; W234-K239 HydrophobicContact CG-CD 3.46Å; W234-K239 VanDerWaalsContact CG-CD 3.46Å | ||
| 235 | E | 69.5 | Low | 82.3 | Confident | 92 Ų | 92 | 69.7 Ų | 69.7 | 43% | 0.43 | 34% | 0.342 | S | S | . | . | trans | -85 | 3.8 | -178.1 | -56.5 | -162.3 | 148.3 | 0 | 0 | 113 | D233 Y237 Y240 Q578 | D233-E235 PolarHBondContact O-N 2.95Å; D233-E235 WeakPolarHBondContact OD1-CG 3.46Å; E235-Y237 PolarHBondContact O-N 3.43Å; E235-Y240 VanDerWaalsContact CA-CE2 3.47Å; E235-Y240 HydrophobicContact CB-CE2 3.8Å; E235-Y240 HydrophobicContact CG-CE2 4.48Å; E235-Y240 WeakPolarHBondContact CG-OH 3.35Å; E235-Y240 VanDerWaalsContact O-CD2 3.28Å; E235-Y240 WeakPolarHBondContact O-CD2 3.46Å; E235-Y240 WeakPolarHBondContact O-CE2 3.3Å; E235-Q578 VanDerWaalsContact O-CD 3.29Å; E235-Q578 PolarHBondContact O-NE2 3.44Å; E235-Q578 PolarHBondContact O-OE1 3.49Å; E235-Q578 VanDerWaalsContact O-OE1 3.06Å | ||
| 236 | D | 75.9 | Confident | 82.4 | Confident | 93 Ų | 93 | 66.8 Ų | 66.8 | 50% | 0.497 | 33% | 0.33 | S | S | . | . | trans | -61.7 | 140.8 | 176.2 | -67.1 | -48.5 | 0 | 0 | 0 | 111 | W234 D238 K239 Y240 | W234-D236 VanDerWaalsContact C-N 3.27Å; W234-D236 PolarHBondContact O-N 3.37Å; D236-D238 VanDerWaalsContact C-N 3.28Å; D236-D238 PolarHBondContact O-N 2.92Å; D236-D238 VanDerWaalsContact O-N 3.16Å; D236-K239 HydrophobicContact CB-CD 4.28Å; D236-K239 HydrophobicContact CB-CG 4.16Å; D236-K239 WeakPolarHBondContact O-CA 3.4Å; D236-K239 WeakPolarHBondContact O-CB 3.31Å; D236-K239 PolarHBondContact O-N 3.41Å; D236-K239 IonicContact OD2-NZ 3.77Å; D236-K239 PolarHBondContact OD2-NZ 2.98Å; D236-Y240 PolarHBondContact O-N 2.99Å; D236-Y240 VanDerWaalsContact O-N 3.09Å | ||
| 237 | Y | 71.5 | Confident | 82.4 | Confident | 58 Ų | 58 | 67.1 Ų | 67.1 | 23% | 0.227 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -47.8 | -47.9 | -178.5 | 170.4 | -114.1 | 0 | 0 | 0 | 113.5 | E235 K239 Y240 V241 I573 V579 Y582 | E235-Y237 PolarHBondContact O-N 3.43Å; Y237-K239 PolarHBondContact O-N 3.27Å; Y237-Y240 PolarHBondContact O-N 3.34Å; Y237-V241 HydrophobicContact CD2-CG2 3.88Å; Y237-V241 HydrophobicContact CE1-CG2 4.21Å; Y237-V241 HydrophobicContact CE2-CG2 3.27Å; Y237-V241 WeakPolarHBondContact O-CG2 3.22Å; Y237-V241 PolarHBondContact O-N 2.88Å; Y237-I573 HydrophobicContact CD2-CG2 4.45Å; Y237-I573 HydrophobicContact CE2-CG2 3.8Å; Y237-V579 HydrophobicContact CD2-CG2 3.18Å; Y237-V579 HydrophobicContact CE2-CB 4.4Å; Y237-V579 HydrophobicContact CE2-CG2 3.04Å; Y237-V579 HydrophobicContact CG-CG2 4.19Å; Y237-Y582 AromaticContact CD1-CE2 3.95Å; Y237-Y582 HydrophobicContact CD1-CE2 3.95Å; Y237-Y582 HydrophobicContact CE1-CE2 4.42Å; Y237-Y582 HydrophobicContact CG-CE2 4.36Å |
| 238 | D | 76.9 | Confident | 82.2 | Confident | 115 Ų | 115 | 65.1 Ų | 65.1 | 62% | 0.615 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.3 | -33.4 | -179.2 | -62.2 | -15.2 | 0 | 0 | 0 | 112 | D236 A242 | D236-D238 VanDerWaalsContact C-N 3.28Å; D236-D238 PolarHBondContact O-N 2.92Å; D236-D238 VanDerWaalsContact O-N 3.16Å; D238-A242 VanDerWaalsContact O-CB 3.31Å; D238-A242 WeakPolarHBondContact O-CB 3.43Å; D238-A242 PolarHBondContact O-N 3Å |
| 239 | K | 81.4 | Confident | 82.3 | Confident | 61 Ų | 61 | 64.9 Ų | 64.9 | 27% | 0.265 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -76.1 | -43.5 | 179.5 | -57 | -173 | -179.1 | 67.3 | 0 | 110.2 | Y229 W234 D236 Y237 V241 A242 F243 | Y229-K239 HydrophobicContact CE1-CB 3.65Å; Y229-K239 VanDerWaalsContact CE1-O 3.24Å; Y229-K239 WeakPolarHBondContact CE1-O 3.48Å; Y229-K239 PolarHBondContact OH-O 3.08Å; W234-K239 HydrophobicContact CB-CB 4.44Å; W234-K239 HydrophobicContact CB-CD 3.41Å; W234-K239 VanDerWaalsContact CB-CD 3.41Å; W234-K239 HydrophobicContact CD2-CD 3.89Å; W234-K239 HydrophobicContact CE3-CD 4.34Å; W234-K239 HydrophobicContact CG-CD 3.46Å; W234-K239 VanDerWaalsContact CG-CD 3.46Å; D236-K239 HydrophobicContact CB-CD 4.28Å; D236-K239 HydrophobicContact CB-CG 4.16Å; D236-K239 WeakPolarHBondContact O-CA 3.4Å; D236-K239 WeakPolarHBondContact O-CB 3.31Å; D236-K239 PolarHBondContact O-N 3.41Å; D236-K239 IonicContact OD2-NZ 3.77Å; D236-K239 PolarHBondContact OD2-NZ 2.98Å; Y237-K239 PolarHBondContact O-N 3.27Å; K239-V241 VanDerWaalsContact C-N 3.34Å; K239-V241 PolarHBondContact O-N 3.41Å; K239-A242 PolarHBondContact O-N 2.85Å; K239-F243 PolarHBondContact O-N 2.83Å |
| 240 | Y | 77 | Confident | 82.7 | Confident | 47 Ų | 47 | 66.5 Ų | 66.5 | 18% | 0.184 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.2 | -44.2 | 174.7 | -81.7 | -53.9 | 0 | 0 | 0 | 112.9 | E235 D236 Y237 F243 A244 C512 | E235-Y240 VanDerWaalsContact CA-CE2 3.47Å; E235-Y240 HydrophobicContact CB-CE2 3.8Å; E235-Y240 HydrophobicContact CG-CE2 4.48Å; E235-Y240 WeakPolarHBondContact CG-OH 3.35Å; E235-Y240 VanDerWaalsContact O-CD2 3.28Å; E235-Y240 WeakPolarHBondContact O-CD2 3.46Å; E235-Y240 WeakPolarHBondContact O-CE2 3.3Å; D236-Y240 PolarHBondContact O-N 2.99Å; D236-Y240 VanDerWaalsContact O-N 3.09Å; Y237-Y240 PolarHBondContact O-N 3.34Å; Y240-F243 PolarHBondContact O-N 2.98Å; Y240-A244 WeakPolarHBondContact O-CB 3.32Å; Y240-A244 PolarHBondContact O-N 3.49Å; Y240-C512 HydrophobicContact CD1-CB 4.26Å; Y240-C512 WeakPolarHBondContact CE1-O 3.39Å |
| 241 | V | 81.1 | Confident | 83.2 | Confident | 46 Ų | 46 | 60.3 Ų | 60.3 | 28% | 0.279 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 176 | 175.6 | 0 | 0 | 0 | 0 | 110.5 | Y237 K239 F243 A244 V245 I573 | Y237-V241 HydrophobicContact CD2-CG2 3.88Å; Y237-V241 HydrophobicContact CE1-CG2 4.21Å; Y237-V241 HydrophobicContact CE2-CG2 3.27Å; Y237-V241 WeakPolarHBondContact O-CG2 3.22Å; Y237-V241 PolarHBondContact O-N 2.88Å; K239-V241 VanDerWaalsContact C-N 3.34Å; K239-V241 PolarHBondContact O-N 3.41Å; V241-F243 VanDerWaalsContact C-N 3.33Å; V241-F243 PolarHBondContact O-N 2.79Å; V241-A244 PolarHBondContact O-N 2.86Å; V241-V245 HydrophobicContact CG1-CG2 4.27Å; V241-V245 WeakPolarHBondContact O-CB 3.03Å; V241-V245 VanDerWaalsContact O-CG2 3.27Å; V241-V245 WeakPolarHBondContact O-CG2 2.93Å; V241-V245 PolarHBondContact O-N 3.31Å; V241-I573 HydrophobicContact CG2-CG2 4.2Å |
| 242 | A | 85.6 | Confident | 83.5 | Confident | 52 Ų | 52 | 53.9 Ų | 53.9 | 43% | 0.43 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D238 K239 F246 | D238-A242 VanDerWaalsContact O-CB 3.31Å; D238-A242 WeakPolarHBondContact O-CB 3.43Å; D238-A242 PolarHBondContact O-N 3Å; K239-A242 PolarHBondContact O-N 2.85Å; A242-F246 WeakPolarHBondContact O-CB 3.42Å; A242-F246 PolarHBondContact O-N 3.18Å |
| 243 | F | 85 | Confident | 83.9 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 2% | 0.022 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.9 | -43.8 | 177.7 | -172.2 | -118.8 | 0 | 0 | 0 | 112.5 | F225 Y229 K239 Y240 V241 F246 N247 S511 P515 | F225-F243 HydrophobicContact CB-CE2 4.21Å; Y229-F243 HydrophobicContact CD1-CB 4.27Å; Y229-F243 HydrophobicContact CD1-CG 4.45Å; Y229-F243 HydrophobicContact CD2-CD2 4.44Å; Y229-F243 HydrophobicContact CE1-CB 3.67Å; Y229-F243 HydrophobicContact CE1-CG 4.28Å; Y229-F243 HydrophobicContact CE2-CB 4.46Å; Y229-F243 HydrophobicContact CE2-CD2 4.3Å; K239-F243 PolarHBondContact O-N 2.83Å; Y240-F243 PolarHBondContact O-N 2.98Å; V241-F243 VanDerWaalsContact C-N 3.33Å; V241-F243 PolarHBondContact O-N 2.79Å; F243-F246 HydrophobicContact CD2-CD1 4.46Å; F243-F246 WeakPolarHBondContact O-CB 3.26Å; F243-F246 PolarHBondContact O-N 2.95Å; F243-N247 VanDerWaalsContact CD1-ND2 3.3Å; F243-N247 WeakPolarHBondContact CD1-ND2 3.44Å; F243-N247 WeakPolarHBondContact CE1-ND2 3.49Å; F243-N247 WeakPolarHBondContact CZ-ND2 3.23Å; F243-N247 WeakPolarHBondContact O-CB 2.83Å; F243-N247 PolarHBondContact O-N 3.32Å; F243-N247 PolarHBondContact O-ND2 3.43Å; F243-S511 VanDerWaalsContact CE1-O 3.32Å; F243-S511 WeakPolarHBondContact CE1-O 3.42Å; F243-P515 HydrophobicContact CE1-CB 4Å; F243-P515 HydrophobicContact CE1-CG 4.14Å; F243-P515 HydrophobicContact CZ-CB 4Å |
| 244 | A | 83.1 | Confident | 84.8 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -45 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y240 V241 N247 V248 N569 I573 | Y240-A244 WeakPolarHBondContact O-CB 3.32Å; Y240-A244 PolarHBondContact O-N 3.49Å; V241-A244 PolarHBondContact O-N 2.86Å; A244-N247 PolarHBondContact O-N 3.4Å; A244-V248 WeakPolarHBondContact O-CG2 3.46Å; A244-V248 PolarHBondContact O-N 2.71Å; A244-N569 HydrophobicContact CB-CB 4.44Å; A244-I573 HydrophobicContact CB-CD1 3.5Å; A244-I573 VanDerWaalsContact CB-CD1 3.5Å |
| 245 | V | 86.4 | Confident | 85.6 | Confident | 57 Ų | 57 | 40.2 Ų | 40.2 | 35% | 0.345 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.5 | -46.8 | 175.7 | 172.7 | 0 | 0 | 0 | 0 | 110 | V241 N247 V248 V249 L601 | V241-V245 HydrophobicContact CG1-CG2 4.27Å; V241-V245 WeakPolarHBondContact O-CB 3.03Å; V241-V245 VanDerWaalsContact O-CG2 3.27Å; V241-V245 WeakPolarHBondContact O-CG2 2.93Å; V241-V245 PolarHBondContact O-N 3.31Å; V245-N247 VanDerWaalsContact C-N 3.35Å; V245-N247 PolarHBondContact O-N 3.45Å; V245-V248 PolarHBondContact O-N 3.2Å; V245-V249 HydrophobicContact CG1-CG2 4.36Å; V245-V249 WeakPolarHBondContact O-CB 3.04Å; V245-V249 VanDerWaalsContact O-CG2 3.26Å; V245-V249 WeakPolarHBondContact O-CG2 3.44Å; V245-V249 PolarHBondContact O-N 3.47Å; V245-L601 HydrophobicContact CG2-CD2 4.26Å |
| 246 | F | 90.8 | Very high | 86.8 | Confident | 47 Ų | 47 | 35.9 Ų | 35.9 | 21% | 0.206 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.1 | -49.5 | 174.8 | 167.5 | -99 | 0 | 0 | 0 | 111.5 | P221 M222 F225 A242 F243 V248 V249 W250 | P221-F246 HydrophobicContact CB-CZ 4.36Å; M222-F246 HydrophobicContact CG-CE1 4.38Å; F225-F246 HydrophobicContact CB-CD1 4.41Å; F225-F246 HydrophobicContact CB-CE1 4Å; F225-F246 HydrophobicContact CB-CZ 4.47Å; F225-F246 AromaticContact CD2-CE1 3.93Å; F225-F246 HydrophobicContact CD2-CE1 3.93Å; F225-F246 AromaticContact CD2-CE2 3.95Å; F225-F246 HydrophobicContact CD2-CE2 3.95Å; F225-F246 AromaticContact CD2-CZ 3.53Å; F225-F246 HydrophobicContact CD2-CZ 3.53Å; F225-F246 AromaticContact CE2-CE2 3.88Å; F225-F246 HydrophobicContact CE2-CE2 3.88Å; F225-F246 AromaticContact CE2-CZ 3.92Å; F225-F246 HydrophobicContact CE2-CZ 3.92Å; F225-F246 HydrophobicContact CG-CD1 4.4Å; F225-F246 HydrophobicContact CG-CE1 4.01Å; F225-F246 HydrophobicContact CG-CZ 4.06Å; F225-F246 HydrophobicContact CZ-CE2 4.38Å; A242-F246 WeakPolarHBondContact O-CB 3.42Å; A242-F246 PolarHBondContact O-N 3.18Å; F243-F246 HydrophobicContact CD2-CD1 4.46Å; F243-F246 WeakPolarHBondContact O-CB 3.26Å; F243-F246 PolarHBondContact O-N 2.95Å; F246-V248 PolarHBondContact O-N 2.86Å; F246-V249 PolarHBondContact O-N 2.71Å; F246-W250 HydrophobicContact CE1-CB 4.49Å; F246-W250 HydrophobicContact CE2-CB 4.31Å; F246-W250 HydrophobicContact CE2-CG 4.42Å; F246-W250 HydrophobicContact CZ-CB 4.23Å; F246-W250 HydrophobicContact CZ-CD2 4.42Å; F246-W250 HydrophobicContact CZ-CG 4.1Å; F246-W250 WeakPolarHBondContact O-CB 3.49Å; F246-W250 PolarHBondContact O-N 3.11Å |
| 247 | N | 88.6 | Confident | 87.8 | Confident | 6 Ų | 6 | 34.8 Ų | 34.8 | 3% | 0.032 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.9 | -42.9 | -178.3 | -73.9 | -30.6 | 0 | 0 | 0 | 112.7 | F243 A244 V245 W250 C251 S511 | F243-N247 VanDerWaalsContact CD1-ND2 3.3Å; F243-N247 WeakPolarHBondContact CD1-ND2 3.44Å; F243-N247 WeakPolarHBondContact CE1-ND2 3.49Å; F243-N247 WeakPolarHBondContact CZ-ND2 3.23Å; F243-N247 WeakPolarHBondContact O-CB 2.83Å; F243-N247 PolarHBondContact O-N 3.32Å; F243-N247 PolarHBondContact O-ND2 3.43Å; A244-N247 PolarHBondContact O-N 3.4Å; V245-N247 VanDerWaalsContact C-N 3.35Å; V245-N247 PolarHBondContact O-N 3.45Å; N247-W250 PolarHBondContact O-N 2.67Å; N247-C251 WeakPolarHBondContact O-CB 3.24Å; N247-C251 PolarHBondContact O-N 3.25Å; N247-C251 PolarHBondContact O-SG 3.46Å; N247-S511 WeakPolarHBondContact ND2-CB 3.31Å; N247-S511 PolarHBondContact ND2-OG 2.88Å |
| 248 | V | 85.4 | Confident | 89 | Confident | 7 Ų | 7 | 32.2 Ų | 32.2 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.5 | -47 | 177.6 | 165.1 | 0 | 0 | 0 | 0 | 111.3 | A244 V245 F246 T252 V566 | A244-V248 WeakPolarHBondContact O-CG2 3.46Å; A244-V248 PolarHBondContact O-N 2.71Å; V245-V248 PolarHBondContact O-N 3.2Å; F246-V248 PolarHBondContact O-N 2.86Å; V248-T252 PolarHBondContact O-N 3.4Å; V248-T252 VanDerWaalsContact O-N 3.16Å; V248-T252 PolarHBondContact O-OG1 2.82Å; V248-V566 HydrophobicContact CB-CG2 4.34Å; V248-V566 HydrophobicContact CG1-CG2 3.64Å; V248-V566 HydrophobicContact CG2-CB 4.44Å; V248-V566 HydrophobicContact CG2-CG2 3.78Å |
| 249 | V | 91 | Very high | 89.8 | Confident | 34 Ų | 34 | 28.3 Ų | 28.3 | 21% | 0.206 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.2 | -46.4 | 179.8 | 174.5 | 0 | 0 | 0 | 0 | 110.3 | V245 F246 T252 I253 F604 L608 | V245-V249 HydrophobicContact CG1-CG2 4.36Å; V245-V249 WeakPolarHBondContact O-CB 3.04Å; V245-V249 VanDerWaalsContact O-CG2 3.26Å; V245-V249 WeakPolarHBondContact O-CG2 3.44Å; V245-V249 PolarHBondContact O-N 3.47Å; F246-V249 PolarHBondContact O-N 2.71Å; V249-T252 WeakPolarHBondContact O-CB 3.4Å; V249-T252 PolarHBondContact O-N 3.33Å; V249-I253 HydrophobicContact CG1-CD1 3.71Å; V249-I253 HydrophobicContact CG1-CG1 4.42Å; V249-I253 WeakPolarHBondContact O-CG1 3.41Å; V249-I253 PolarHBondContact O-N 3.45Å; V249-F604 HydrophobicContact CG1-CE1 4.38Å; V249-F604 HydrophobicContact CG2-CD1 4.06Å; V249-F604 HydrophobicContact CG2-CE1 3.59Å; V249-L608 HydrophobicContact CG1-CD1 4.15Å |
| 250 | W | 94.9 | Very high | 90.5 | Very high | 64 Ų | 64 | 28.6 Ų | 28.6 | 24% | 0.242 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.4 | -46 | -179.3 | -170.1 | -110.1 | 0 | 0 | 0 | 112 | A218 P221 M222 F246 N247 T252 I253 I254 | A218-W250 PolarHBondContact O-NE1 2.92Å; P221-W250 HydrophobicContact CB-CH2 4.48Å; P221-W250 HydrophobicContact CB-CZ2 3.87Å; P221-W250 HydrophobicContact CG-CH2 4.12Å; P221-W250 HydrophobicContact CG-CZ2 3.53Å; M222-W250 VanDerWaalsContact CE-CD1 3.46Å; M222-W250 VanDerWaalsContact CG-CD1 3.45Å; F246-W250 HydrophobicContact CE1-CB 4.49Å; F246-W250 HydrophobicContact CE2-CB 4.31Å; F246-W250 HydrophobicContact CE2-CG 4.42Å; F246-W250 HydrophobicContact CZ-CB 4.23Å; F246-W250 HydrophobicContact CZ-CD2 4.42Å; F246-W250 HydrophobicContact CZ-CG 4.1Å; F246-W250 WeakPolarHBondContact O-CB 3.49Å; F246-W250 PolarHBondContact O-N 3.11Å; N247-W250 PolarHBondContact O-N 2.67Å; W250-T252 PolarHBondContact O-N 3.45Å; W250-I253 PolarHBondContact O-N 3.49Å; W250-I253 VanDerWaalsContact O-N 3.15Å; W250-I254 HydrophobicContact CD2-CG2 4.18Å; W250-I254 HydrophobicContact CG-CG2 4.4Å; W250-I254 HydrophobicContact CZ2-CG2 3.95Å; W250-I254 WeakPolarHBondContact O-CG1 3.45Å; W250-I254 WeakPolarHBondContact O-CG2 3.33Å; W250-I254 PolarHBondContact O-N 2.77Å |
| 251 | C | 93.2 | Very high | 91.4 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.02 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.6 | -37.2 | 174.2 | -73.1 | 0 | 0 | 0 | 0 | 112.3 | N247 I254 L255 F504 | N247-C251 WeakPolarHBondContact O-CB 3.24Å; N247-C251 PolarHBondContact O-N 3.25Å; N247-C251 PolarHBondContact O-SG 3.46Å; C251-I254 VanDerWaalsContact O-CG1 3.3Å; C251-I254 WeakPolarHBondContact O-CG1 3.23Å; C251-L255 VanDerWaalsContact O-CG 3.31Å; C251-L255 WeakPolarHBondContact O-CG 3.34Å; C251-L255 PolarHBondContact O-N 2.98Å; C251-F504 HydrophobicContact CB-CE2 4.44Å; C251-F504 HydrophobicContact CB-CZ 4.12Å |
| 252 | T | 92.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.9 | -49.1 | 176.4 | -53.3 | 0 | 0 | 0 | 0 | 110.8 | V248 V249 W250 I254 L255 E256 K605 L608 | V248-T252 PolarHBondContact O-N 3.4Å; V248-T252 VanDerWaalsContact O-N 3.16Å; V248-T252 PolarHBondContact O-OG1 2.82Å; V249-T252 WeakPolarHBondContact O-CB 3.4Å; V249-T252 PolarHBondContact O-N 3.33Å; W250-T252 PolarHBondContact O-N 3.45Å; T252-I254 VanDerWaalsContact C-N 3.33Å; T252-I254 PolarHBondContact O-N 3.03Å; T252-L255 PolarHBondContact O-N 3.24Å; T252-E256 HydrophobicContact CG2-CG 4.5Å; T252-E256 WeakPolarHBondContact O-CG 3.47Å; T252-E256 PolarHBondContact O-N 2.91Å; T252-E256 VanDerWaalsContact O-N 3.14Å; T252-K605 HydrophobicContact CG2-CG 3.91Å; T252-K605 WeakPolarHBondContact OG1-CG 3Å; T252-K605 PolarHBondContact OG1-NZ 3.36Å; T252-L608 HydrophobicContact CG2-CB 4.08Å; T252-L608 HydrophobicContact CG2-CD1 4.48Å |
| 253 | I | 95.1 | Very high | 92.5 | Very high | 45 Ų | 45 | 24.6 Ų | 24.6 | 23% | 0.231 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.6 | -44.2 | -179.8 | -69.7 | 169.3 | 0 | 0 | 0 | 111.3 | V249 W250 L255 E256 L257 | V249-I253 HydrophobicContact CG1-CD1 3.71Å; V249-I253 HydrophobicContact CG1-CG1 4.42Å; V249-I253 WeakPolarHBondContact O-CG1 3.41Å; V249-I253 PolarHBondContact O-N 3.45Å; W250-I253 PolarHBondContact O-N 3.49Å; W250-I253 VanDerWaalsContact O-N 3.15Å; I253-L255 PolarHBondContact O-N 3.29Å; I253-E256 PolarHBondContact O-N 3.37Å; I253-L257 HydrophobicContact CG2-CD1 3.59Å; I253-L257 HydrophobicContact CG2-CG 4.02Å; I253-L257 WeakPolarHBondContact O-CB 3.2Å; I253-L257 VanDerWaalsContact O-CG 3.24Å; I253-L257 WeakPolarHBondContact O-CG 3.17Å; I253-L257 PolarHBondContact O-N 3.3Å |
| 254 | I | 95.8 | Very high | 93 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.4 | -37.4 | -176.7 | 66.7 | 175.3 | 0 | 0 | 0 | 112.1 | Y214 A218 M222 W250 C251 T252 W258 F504 | Y214-I254 HydrophobicContact CE1-CB 4.38Å; Y214-I254 WeakPolarHBondContact CE1-O 2.91Å; Y214-I254 WeakPolarHBondContact OH-CA 3.16Å; Y214-I254 WeakPolarHBondContact OH-CB 3.2Å; Y214-I254 PolarHBondContact OH-O 3Å; A218-I254 HydrophobicContact CB-CB 4.04Å; A218-I254 HydrophobicContact CB-CD1 4.31Å; A218-I254 HydrophobicContact CB-CG2 3.78Å; M222-I254 HydrophobicContact CE-CD1 3.7Å; W250-I254 HydrophobicContact CD2-CG2 4.18Å; W250-I254 HydrophobicContact CG-CG2 4.4Å; W250-I254 HydrophobicContact CZ2-CG2 3.95Å; W250-I254 WeakPolarHBondContact O-CG1 3.45Å; W250-I254 WeakPolarHBondContact O-CG2 3.33Å; W250-I254 PolarHBondContact O-N 2.77Å; C251-I254 VanDerWaalsContact O-CG1 3.3Å; C251-I254 WeakPolarHBondContact O-CG1 3.23Å; T252-I254 VanDerWaalsContact C-N 3.33Å; T252-I254 PolarHBondContact O-N 3.03Å; I254-W258 WeakPolarHBondContact O-CB 3.29Å; I254-W258 PolarHBondContact O-N 3.34Å; I254-F504 HydrophobicContact CD1-CE2 4.25Å |
| 255 | L | 96.2 | Very high | 93.6 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -71.1 | -35.8 | 178.9 | -64.3 | 177.1 | 0 | 0 | 0 | 111.9 | C251 T252 I253 K259 F504 Q555 F558 E559 | C251-L255 VanDerWaalsContact O-CG 3.31Å; C251-L255 WeakPolarHBondContact O-CG 3.34Å; C251-L255 PolarHBondContact O-N 2.98Å; T252-L255 PolarHBondContact O-N 3.24Å; I253-L255 PolarHBondContact O-N 3.29Å; L255-K259 PolarHBondContact O-N 3.46Å; L255-F504 HydrophobicContact CD1-CZ 4.47Å; L255-Q555 PolarHBondContact O-NE2 2.76Å; L255-F558 HydrophobicContact CD1-CB 4.1Å; L255-F558 WeakPolarHBondContact CD1-O 3.26Å; L255-F558 HydrophobicContact CD2-CB 3.6Å; L255-F558 HydrophobicContact CD2-CG 4.22Å; L255-E559 HydrophobicContact CD1-CG 4.14Å |
| 256 | E | 94.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.009 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -70.2 | -41 | 174.7 | -66.2 | -56.6 | 147.4 | 0 | 0 | 112.6 | T252 I253 W258 K259 R260 T609 I612 | T252-E256 HydrophobicContact CG2-CG 4.5Å; T252-E256 WeakPolarHBondContact O-CG 3.47Å; T252-E256 PolarHBondContact O-N 2.91Å; T252-E256 VanDerWaalsContact O-N 3.14Å; I253-E256 PolarHBondContact O-N 3.37Å; E256-W258 VanDerWaalsContact C-N 3.33Å; E256-K259 VanDerWaalsContact CD-CE 3.42Å; E256-K259 PolarHBondContact O-N 2.72Å; E256-K259 IonicContact OE1-NZ 2.59Å; E256-K259 PolarHBondContact OE1-NZ 3.1Å; E256-K259 WeakPolarHBondContact OE2-CE 3.38Å; E256-K259 IonicContact OE2-NZ 2.79Å; E256-K259 PolarHBondContact OE2-NZ 3.35Å; E256-R260 PolarHBondContact O-N 2.95Å; E256-T609 VanDerWaalsContact OE1-CB 3.3Å; E256-T609 WeakPolarHBondContact OE1-CB 3.39Å; E256-T609 WeakPolarHBondContact OE1-CG2 3.35Å; E256-T609 PolarHBondContact OE1-OG1 3.27Å; E256-I612 HydrophobicContact CB-CB 4.11Å; E256-I612 HydrophobicContact CB-CD1 3.97Å; E256-I612 HydrophobicContact CB-CG2 3.84Å; E256-I612 HydrophobicContact CG-CB 4.42Å; E256-I612 HydrophobicContact CG-CD1 4.28Å |
| 257 | L | 96 | Very high | 94.1 | Very high | 70 Ų | 70 | 24.5 Ų | 24.5 | 37% | 0.366 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -67.3 | -34.5 | 175.5 | -71.8 | -179.3 | 0 | 0 | 0 | 111.8 | Y214 I253 R260 S261 | Y214-L257 WeakPolarHBondContact OH-CB 3.42Å; I253-L257 HydrophobicContact CG2-CD1 3.59Å; I253-L257 HydrophobicContact CG2-CG 4.02Å; I253-L257 WeakPolarHBondContact O-CB 3.2Å; I253-L257 VanDerWaalsContact O-CG 3.24Å; I253-L257 WeakPolarHBondContact O-CG 3.17Å; I253-L257 PolarHBondContact O-N 3.3Å; L257-R260 PolarHBondContact O-N 3.18Å; L257-S261 PolarHBondContact O-N 3.09Å; L257-S261 PolarHBondContact O-OG 3.28Å |
| 258 | W | 96.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.015 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.7 | -45.1 | 172.5 | 175.3 | -117.4 | 0 | 0 | 0 | 112.2 | F211 Y214 I254 E256 R260 S261 S262 I551 | F211-W258 HydrophobicContact CB-CH2 3.64Å; F211-W258 HydrophobicContact CB-CZ2 3.54Å; F211-W258 HydrophobicContact CB-CZ3 4.26Å; F211-W258 AromaticContact CD2-CD1 3.85Å; F211-W258 AromaticContact CD2-CD2 3.55Å; F211-W258 HydrophobicContact CD2-CD2 3.55Å; F211-W258 AromaticContact CD2-CE2 3.37Å; F211-W258 HydrophobicContact CD2-CE3 4.05Å; F211-W258 AromaticContact CD2-CG 3.89Å; F211-W258 HydrophobicContact CD2-CG 3.89Å; F211-W258 HydrophobicContact CD2-CH2 4.25Å; F211-W258 AromaticContact CD2-CZ2 3.77Å; F211-W258 HydrophobicContact CD2-CZ2 3.77Å; F211-W258 HydrophobicContact CD2-CZ3 4.36Å; F211-W258 AromaticContact CD2-NE1 3.54Å; F211-W258 AromaticContact CE2-CD1 3.88Å; F211-W258 HydrophobicContact CE2-CD2 4.18Å; F211-W258 HydrophobicContact CE2-CG 4.02Å; F211-W258 AromaticContact CE2-NE1 3.96Å; F211-W258 HydrophobicContact CG-CH2 4.46Å; F211-W258 HydrophobicContact CG-CZ2 4.08Å; F211-W258 VanDerWaalsContact N-CH2 3.26Å; Y214-W258 HydrophobicContact CD1-CB 3.98Å; Y214-W258 HydrophobicContact CD1-CD2 4.19Å; Y214-W258 AromaticContact CD1-CE3 3.66Å; Y214-W258 HydrophobicContact CD1-CE3 3.66Å; Y214-W258 HydrophobicContact CD1-CG 4.32Å; Y214-W258 HydrophobicContact CD2-CE3 4.27Å; Y214-W258 HydrophobicContact CE1-CB 3.64Å; Y214-W258 HydrophobicContact CE1-CE3 4.44Å; Y214-W258 HydrophobicContact CE1-CG 4.44Å; Y214-W258 AromaticContact CG-CE3 3.59Å; Y214-W258 HydrophobicContact CG-CE3 3.59Å; Y214-W258 HydrophobicContact CG-CZ3 4.16Å; I254-W258 WeakPolarHBondContact O-CB 3.29Å; I254-W258 PolarHBondContact O-N 3.34Å; E256-W258 VanDerWaalsContact C-N 3.33Å; W258-R260 PolarHBondContact O-N 3.06Å; W258-S261 PolarHBondContact O-N 3.36Å; W258-S261 VanDerWaalsContact O-N 3.15Å; W258-S262 VanDerWaalsContact O-CB 3.26Å; W258-S262 WeakPolarHBondContact O-CB 3.32Å; W258-S262 PolarHBondContact O-N 2.98Å; W258-I551 HydrophobicContact CZ2-CG2 3.58Å |
| 259 | K | 95.6 | Very high | 94.6 | Very high | 32 Ų | 32 | 28.8 Ų | 28.8 | 14% | 0.139 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -54.4 | -42.2 | 175.9 | -74.5 | -175 | -71.3 | 172.9 | 0 | 111.7 | L255 E256 A263 Q555 E559 D614 | L255-K259 PolarHBondContact O-N 3.46Å; E256-K259 VanDerWaalsContact CD-CE 3.42Å; E256-K259 PolarHBondContact O-N 2.72Å; E256-K259 IonicContact OE1-NZ 2.59Å; E256-K259 PolarHBondContact OE1-NZ 3.1Å; E256-K259 WeakPolarHBondContact OE2-CE 3.38Å; E256-K259 IonicContact OE2-NZ 2.79Å; E256-K259 PolarHBondContact OE2-NZ 3.35Å; K259-A263 WeakPolarHBondContact O-CB 3.41Å; K259-A263 PolarHBondContact O-N 3.43Å; K259-Q555 HydrophobicContact CD-CG 4.17Å; K259-Q555 HydrophobicContact CG-CG 4.18Å; K259-E559 IonicContact NZ-OE1 2.7Å; K259-D614 CarbonylContact C-O 3.6Å; K259-D614 HydrophobicContact CB-CB 4.42Å; K259-D614 WeakPolarHBondContact CD-OD1 3.48Å; K259-D614 WeakPolarHBondContact CE-OD1 3.27Å; K259-D614 IonicContact NZ-OD1 2.93Å; K259-D614 PolarHBondContact NZ-OD1 3.09Å |
| 260 | R | 95.8 | Very high | 94.7 | Very high | 68 Ų | 68 | 27.3 Ų | 27.3 | 26% | 0.257 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -66.3 | -43.8 | 177.5 | -67.5 | 169.5 | 62.9 | 86.4 | -5 | 113.3 | E256 L257 W258 T264 P613 D614 P616 | E256-R260 PolarHBondContact O-N 2.95Å; L257-R260 PolarHBondContact O-N 3.18Å; W258-R260 PolarHBondContact O-N 3.06Å; R260-T264 PolarHBondContact O-N 3.32Å; R260-T264 VanDerWaalsContact O-N 3.15Å; R260-T264 PolarHBondContact O-OG1 3.49Å; R260-P613 WeakPolarHBondContact CD-O 3.33Å; R260-P613 WeakPolarHBondContact CG-O 3.29Å; R260-P613 PolarHBondContact NH1-O 3.04Å; R260-D614 WeakPolarHBondContact CA-O 3.49Å; R260-D614 WeakPolarHBondContact CG-O 3.45Å; R260-D614 PolarHBondContact N-O 3.5Å; R260-P616 HydrophobicContact CB-CG 4.32Å |
| 261 | S | 94.6 | Very high | 94.5 | Very high | 49 Ų | 49 | 25 Ų | 25 | 34% | 0.343 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -66.1 | -45.8 | 176.5 | -64.3 | 0 | 0 | 0 | 0 | 111 | L257 W258 A263 T264 L265 | L257-S261 PolarHBondContact O-N 3.09Å; L257-S261 PolarHBondContact O-OG 3.28Å; W258-S261 PolarHBondContact O-N 3.36Å; W258-S261 VanDerWaalsContact O-N 3.15Å; S261-A263 PolarHBondContact O-N 2.92Å; S261-T264 WeakPolarHBondContact O-CA 3.32Å; S261-T264 WeakPolarHBondContact O-CB 3.48Å; S261-T264 PolarHBondContact O-N 3.3Å; S261-L265 WeakPolarHBondContact O-CG 3.41Å; S261-L265 PolarHBondContact O-N 3.41Å |
| 262 | S | 95.7 | Very high | 94.3 | Very high | 5 Ų | 5 | 27.1 Ų | 27.1 | 4% | 0.035 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.5 | -43.8 | 176.9 | -176.5 | 0 | 0 | 0 | 0 | 111.7 | W258 T264 L265 A266 | W258-S262 VanDerWaalsContact O-CB 3.26Å; W258-S262 WeakPolarHBondContact O-CB 3.32Å; W258-S262 PolarHBondContact O-N 2.98Å; S262-T264 VanDerWaalsContact C-N 3.28Å; S262-T264 PolarHBondContact O-N 3.06Å; S262-L265 PolarHBondContact O-N 2.8Å; S262-A266 VanDerWaalsContact O-CB 3.26Å; S262-A266 WeakPolarHBondContact O-CB 3.38Å; S262-A266 PolarHBondContact O-N 3.37Å |
| 263 | A | 95.1 | Very high | 93.9 | Very high | 7 Ų | 7 | 27.9 Ų | 27.9 | 6% | 0.058 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.7 | -34.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K259 S261 Y267 V615 | K259-A263 WeakPolarHBondContact O-CB 3.41Å; K259-A263 PolarHBondContact O-N 3.43Å; S261-A263 PolarHBondContact O-N 2.92Å; A263-Y267 VanDerWaalsContact O-CB 3.3Å; A263-Y267 WeakPolarHBondContact O-CB 3.37Å; A263-Y267 PolarHBondContact O-N 2.89Å; A263-V615 HydrophobicContact CB-CG1 4.43Å; A263-V615 HydrophobicContact CB-CG2 4.17Å |
| 264 | T | 95.2 | Very high | 93.3 | Very high | 55 Ų | 55 | 28 Ų | 28 | 34% | 0.337 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -67.9 | -46.9 | 176.2 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | R260 S261 S262 Y267 H268 I619 | R260-T264 PolarHBondContact O-N 3.32Å; R260-T264 VanDerWaalsContact O-N 3.15Å; R260-T264 PolarHBondContact O-OG1 3.49Å; S261-T264 WeakPolarHBondContact O-CA 3.32Å; S261-T264 WeakPolarHBondContact O-CB 3.48Å; S261-T264 PolarHBondContact O-N 3.3Å; S262-T264 VanDerWaalsContact C-N 3.28Å; S262-T264 PolarHBondContact O-N 3.06Å; T264-Y267 PolarHBondContact O-N 2.83Å; T264-H268 WeakPolarHBondContact O-CB 3.07Å; T264-H268 PolarHBondContact O-N 2.92Å; T264-I619 VanDerWaalsContact CA-CD1 3.44Å; T264-I619 HydrophobicContact CG2-CD1 4.22Å |
| 265 | L | 95.1 | Very high | 92.4 | Very high | 35 Ų | 35 | 34.4 Ų | 34.4 | 18% | 0.183 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.6 | -49.7 | 175 | -66.1 | 173.5 | 0 | 0 | 0 | 111 | L194 S261 S262 Y267 H268 W269 | L194-L265 HydrophobicContact CD1-CD1 4.37Å; L194-L265 HydrophobicContact CD1-CD2 4.46Å; S261-L265 WeakPolarHBondContact O-CG 3.41Å; S261-L265 PolarHBondContact O-N 3.41Å; S262-L265 PolarHBondContact O-N 2.8Å; L265-Y267 VanDerWaalsContact C-N 3.31Å; L265-Y267 PolarHBondContact O-N 2.81Å; L265-H268 PolarHBondContact O-N 3.4Å; L265-H268 VanDerWaalsContact O-N 3.17Å; L265-W269 HydrophobicContact CB-CD2 4.37Å; L265-W269 HydrophobicContact CB-CE3 4.31Å; L265-W269 HydrophobicContact CB-CH2 4.06Å; L265-W269 HydrophobicContact CB-CZ2 4.11Å; L265-W269 HydrophobicContact CB-CZ3 4.17Å; L265-W269 HydrophobicContact CD1-CH2 4.19Å; L265-W269 HydrophobicContact CD1-CZ2 4.5Å; L265-W269 HydrophobicContact CD2-CH2 4.4Å; L265-W269 HydrophobicContact CD2-CZ2 3.91Å; L265-W269 HydrophobicContact CG-CH2 4.45Å; L265-W269 HydrophobicContact CG-CZ2 4.39Å; L265-W269 WeakPolarHBondContact O-CB 3.31Å; L265-W269 PolarHBondContact O-N 3.5Å |
| 266 | A | 94.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.9 | -32.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S262 G270 T271 L272 A549 | S262-A266 VanDerWaalsContact O-CB 3.26Å; S262-A266 WeakPolarHBondContact O-CB 3.38Å; S262-A266 PolarHBondContact O-N 3.37Å; A266-G270 CarbonylContact O-C 3.57Å; A266-G270 PolarHBondContact O-N 3.33Å; A266-T271 PolarHBondContact O-N 3.35Å; A266-T271 PolarHBondContact O-OG1 3.07Å; A266-L272 HydrophobicContact CB-CB 3.9Å; A266-L272 HydrophobicContact CB-CD1 4.48Å; A266-L272 PolarHBondContact O-N 3.3Å; A266-A549 HydrophobicContact CB-CB 4.26Å; A266-A549 VanDerWaalsContact CB-O 3.24Å; A266-A549 WeakPolarHBondContact CB-O 3.36Å |
| 267 | Y | 93.9 | Very high | 89.9 | Confident | 21 Ų | 21 | 41.7 Ų | 41.7 | 8% | 0.082 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.9 | -48.4 | 172.5 | -179.9 | -91.6 | 0 | 0 | 0 | 111 | M94 A263 T264 L265 W269 G270 L272 I619 K622 L623 | M94-Y267 HydrophobicContact CB-CE2 4.32Å; M94-Y267 HydrophobicContact CG-CD1 4.46Å; M94-Y267 HydrophobicContact CG-CE1 3.82Å; M94-Y267 HydrophobicContact CG-CE2 4.21Å; A263-Y267 VanDerWaalsContact O-CB 3.3Å; A263-Y267 WeakPolarHBondContact O-CB 3.37Å; A263-Y267 PolarHBondContact O-N 2.89Å; T264-Y267 PolarHBondContact O-N 2.83Å; L265-Y267 VanDerWaalsContact C-N 3.31Å; L265-Y267 PolarHBondContact O-N 2.81Å; Y267-W269 PolarHBondContact O-N 3.41Å; Y267-G270 PolarHBondContact O-N 3.2Å; Y267-L272 HydrophobicContact CD2-CD2 4.43Å; Y267-I619 HydrophobicContact CD2-CG2 3.73Å; Y267-I619 HydrophobicContact CG-CD1 4.45Å; Y267-I619 HydrophobicContact CG-CG1 4.47Å; Y267-I619 HydrophobicContact CG-CG2 3.85Å; Y267-K622 HydrophobicContact CE1-CD 3.68Å; Y267-K622 HydrophobicContact CE2-CB 4.03Å; Y267-K622 HydrophobicContact CE2-CD 4.4Å; Y267-K622 VanDerWaalsContact OH-CD 3.28Å; Y267-K622 WeakPolarHBondContact OH-CD 3.27Å; Y267-L623 HydrophobicContact CD2-CD2 4.24Å; Y267-L623 HydrophobicContact CE2-CD2 4.31Å |
| 268 | H | 92.2 | Very high | 89 | Confident | 100 Ų | 100 | 43.4 Ų | 43.4 | 46% | 0.463 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61 | -36.2 | 178.6 | -172.5 | -164.2 | 0 | 0 | 0 | 111.6 | T264 L265 G270 | T264-H268 WeakPolarHBondContact O-CB 3.07Å; T264-H268 PolarHBondContact O-N 2.92Å; L265-H268 PolarHBondContact O-N 3.4Å; L265-H268 VanDerWaalsContact O-N 3.17Å; H268-G270 VanDerWaalsContact C-N 3.33Å |
| 269 | W | 93.1 | Very high | 88.1 | Confident | 3 Ų | 3 | 45.1 Ų | 45.1 | 1% | 0.011 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -81.6 | -10.7 | 177.4 | -58.4 | -16.1 | 0 | 0 | 0 | 113.8 | L194 D195 R198 E203 A206 L207 L265 Y267 T271 | L194-W269 HydrophobicContact CB-CZ2 4.34Å; D195-W269 PolarHBondContact OD1-NE1 3.07Å; R198-W269 HydrophobicContact CB-CZ2 4.41Å; R198-W269 HydrophobicContact CG-CD2 4.04Å; R198-W269 HydrophobicContact CG-CE3 4.45Å; R198-W269 HydrophobicContact CG-CG 4.25Å; R198-W269 VanDerWaalsContact CZ-CB 3.48Å; R198-W269 VanDerWaalsContact NH1-CD1 3.34Å; R198-W269 PolarHBondContact NH2-O 2.95Å; E203-W269 HydrophobicContact CB-CE3 3.97Å; E203-W269 HydrophobicContact CB-CZ3 4.43Å; E203-W269 HydrophobicContact CG-CB 3.91Å; E203-W269 HydrophobicContact CG-CD2 4.23Å; E203-W269 HydrophobicContact CG-CE3 3.8Å; E203-W269 HydrophobicContact CG-CG 4.32Å; A206-W269 HydrophobicContact CB-CH2 3.58Å; A206-W269 HydrophobicContact CB-CZ2 4.16Å; A206-W269 HydrophobicContact CB-CZ3 3.99Å; L207-W269 HydrophobicContact CD2-CE3 4.47Å; L207-W269 HydrophobicContact CD2-CH2 4.29Å; L207-W269 HydrophobicContact CD2-CZ3 3.65Å; L207-W269 HydrophobicContact CG-CZ3 3.75Å; L265-W269 HydrophobicContact CB-CD2 4.37Å; L265-W269 HydrophobicContact CB-CE3 4.31Å; L265-W269 HydrophobicContact CB-CH2 4.06Å; L265-W269 HydrophobicContact CB-CZ2 4.11Å; L265-W269 HydrophobicContact CB-CZ3 4.17Å; L265-W269 HydrophobicContact CD1-CH2 4.19Å; L265-W269 HydrophobicContact CD1-CZ2 4.5Å; L265-W269 HydrophobicContact CD2-CH2 4.4Å; L265-W269 HydrophobicContact CD2-CZ2 3.91Å; L265-W269 HydrophobicContact CG-CH2 4.45Å; L265-W269 HydrophobicContact CG-CZ2 4.39Å; L265-W269 WeakPolarHBondContact O-CB 3.31Å; L265-W269 PolarHBondContact O-N 3.5Å; Y267-W269 PolarHBondContact O-N 3.41Å; W269-T271 VanDerWaalsContact C-N 3.27Å; W269-T271 PolarHBondContact O-N 3.11Å |
| 270 | G | 91.4 | Very high | 87.5 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -2.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | F86 A266 Y267 H268 | F86-G270 VanDerWaalsContact CB-O 3.28Å; F86-G270 WeakPolarHBondContact CB-O 3.09Å; A266-G270 CarbonylContact O-C 3.57Å; A266-G270 PolarHBondContact O-N 3.33Å; Y267-G270 PolarHBondContact O-N 3.2Å; H268-G270 VanDerWaalsContact C-N 3.33Å |
| 271 | T | 92.1 | Very high | 87 | Confident | 14 Ų | 14 | 43.8 Ų | 43.8 | 9% | 0.086 | 23% | 0.225 | C | C | . | . | trans | -75.6 | -23.4 | 179.7 | 55.3 | 0 | 0 | 0 | 0 | 113.2 | E203 A266 W269 S273 R274 P547 A548 | E203-T271 HydrophobicContact CB-CG2 4.12Å; E203-T271 HydrophobicContact CG-CG2 3.64Å; A266-T271 PolarHBondContact O-N 3.35Å; A266-T271 PolarHBondContact O-OG1 3.07Å; W269-T271 VanDerWaalsContact C-N 3.27Å; W269-T271 PolarHBondContact O-N 3.11Å; T271-S273 VanDerWaalsContact C-N 3.33Å; T271-S273 PolarHBondContact O-N 3.41Å; T271-R274 WeakPolarHBondContact O-CB 3.17Å; T271-R274 PolarHBondContact O-N 2.94Å; T271-P547 HydrophobicContact CG2-CB 4.2Å; T271-A548 VanDerWaalsContact CB-O 3.3Å; T271-A548 WeakPolarHBondContact CB-O 3.47Å; T271-A548 PolarHBondContact OG1-O 3.01Å | ||
| 272 | L | 89.2 | Confident | 86.7 | Confident | 48 Ų | 48 | 42.3 Ų | 42.3 | 25% | 0.251 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -36.7 | 179.9 | -173.5 | 63.5 | 0 | 0 | 0 | 113 | A266 Y267 R274 I619 L623 | A266-L272 HydrophobicContact CB-CB 3.9Å; A266-L272 HydrophobicContact CB-CD1 4.48Å; A266-L272 PolarHBondContact O-N 3.3Å; Y267-L272 HydrophobicContact CD2-CD2 4.43Å; L272-R274 VanDerWaalsContact C-N 3.3Å; L272-R274 PolarHBondContact O-N 3.27Å; L272-I619 HydrophobicContact CD2-CG2 3.98Å; L272-L623 HydrophobicContact CD2-CD1 4Å |
| 273 | S | 83.9 | Confident | 86 | Confident | 18 Ų | 18 | 43.2 Ų | 43.2 | 13% | 0.126 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -4.7 | -177.4 | -60.3 | 0 | 0 | 0 | 0 | 113.3 | F86 T271 | F86-S273 VanDerWaalsContact CE1-CB 3.45Å; T271-S273 VanDerWaalsContact C-N 3.33Å; T271-S273 PolarHBondContact O-N 3.41Å |
| 274 | R | 82.8 | Confident | 85.5 | Confident | 47 Ų | 47 | 43.1 Ų | 43.1 | 18% | 0.177 | 22% | 0.217 | C | C | . | . | trans | -76.7 | 126.6 | -177.5 | -161.3 | 173.4 | 107.1 | 163.8 | 1.4 | 110.8 | Y123 T271 L272 K276 E279 | Y123-R274 PolarHBondContact OH-NH1 3Å; T271-R274 WeakPolarHBondContact O-CB 3.17Å; T271-R274 PolarHBondContact O-N 2.94Å; L272-R274 VanDerWaalsContact C-N 3.3Å; L272-R274 PolarHBondContact O-N 3.27Å; R274-K276 PolarHBondContact O-N 3.3Å; R274-E279 IonicContact CZ-OE1 2.83Å; R274-E279 IonicContact NE-OE1 2.68Å; R274-E279 PolarHBondContact NE-OE1 2.95Å; R274-E279 IonicContact NH2-OE1 2.72Å; R274-E279 PolarHBondContact NH2-OE1 2.9Å | ||
| 275 | K | 77.5 | Confident | 85.2 | Confident | 136 Ų | 136 | 41.1 Ų | 41.1 | 59% | 0.591 | 20% | 0.203 | S | C | * | . | trans | -87.2 | 110 | -178.9 | -67.7 | -175.5 | -178.8 | 179.1 | 0 | 111.1 | A277 F278 | K275-A277 PolarHBondContact O-N 3.29Å; K275-F278 HydrophobicContact CB-CD2 3.73Å; K275-F278 HydrophobicContact CB-CE2 3.9Å; K275-F278 HydrophobicContact CB-CG 4.41Å; K275-F278 HydrophobicContact CD-CD2 4.26Å; K275-F278 HydrophobicContact CD-CE2 3.54Å; K275-F278 HydrophobicContact CD-CZ 4Å; K275-F278 HydrophobicContact CG-CE2 4.28Å; K275-F278 PolarHBondContact O-N 2.99Å; K275-F278 VanDerWaalsContact O-N 3.1Å | ||
| 276 | K | 71.3 | Confident | 84.8 | Confident | 100 Ų | 100 | 42.8 Ų | 42.8 | 44% | 0.435 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -54.7 | -26.9 | 176.8 | -64.3 | -175.3 | -179.7 | -178.1 | 0 | 114.2 | R274 F278 E279 | R274-K276 PolarHBondContact O-N 3.3Å; K276-F278 PolarHBondContact O-N 3.38Å; K276-E279 WeakPolarHBondContact O-CB 3.48Å; K276-E279 PolarHBondContact O-N 3.44Å |
| 277 | A | 65.8 | Low | 84.4 | Confident | 60 Ų | 60 | 44 Ų | 44 | 50% | 0.496 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -64.7 | -22.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | K275 | K275-A277 PolarHBondContact O-N 3.29Š|
| 278 | F | 77.3 | Confident | 84.1 | Confident | 106 Ų | 106 | 48.6 Ų | 48.6 | 47% | 0.465 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -94.8 | -0.9 | 179.8 | -53.5 | -33.3 | 0 | 0 | 0 | 113 | K275 K276 V294 T295 | K275-F278 HydrophobicContact CB-CD2 3.73Å; K275-F278 HydrophobicContact CB-CE2 3.9Å; K275-F278 HydrophobicContact CB-CG 4.41Å; K275-F278 HydrophobicContact CD-CD2 4.26Å; K275-F278 HydrophobicContact CD-CE2 3.54Å; K275-F278 HydrophobicContact CD-CZ 4Å; K275-F278 HydrophobicContact CG-CE2 4.28Å; K275-F278 PolarHBondContact O-N 2.99Å; K275-F278 VanDerWaalsContact O-N 3.1Å; K276-F278 PolarHBondContact O-N 3.38Å; F278-V294 HydrophobicContact CD1-CG1 4.44Å; F278-V294 HydrophobicContact CE1-CG1 3.99Å; F278-T295 HydrophobicContact CD1-CG2 3.95Å |
| 279 | E | 79.1 | Confident | 83.8 | Confident | 40 Ų | 40 | 46.7 Ų | 46.7 | 19% | 0.187 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -70.3 | 142.5 | 178 | -66.4 | -179.7 | 175.5 | 0 | 0 | 111 | R274 K276 R388 L389 | R274-E279 IonicContact CZ-OE1 2.83Å; R274-E279 IonicContact NE-OE1 2.68Å; R274-E279 PolarHBondContact NE-OE1 2.95Å; R274-E279 IonicContact NH2-OE1 2.72Å; R274-E279 PolarHBondContact NH2-OE1 2.9Å; K276-E279 WeakPolarHBondContact O-CB 3.48Å; K276-E279 PolarHBondContact O-N 3.44Å; E279-R388 PolarHBondContact O-NH1 3.15Å; E279-R388 PolarHBondContact O-NH2 3.26Å; E279-L389 HydrophobicContact CB-CD2 3.83Å |
| 280 | E | 81.9 | Confident | 83.5 | Confident | 62 Ų | 62 | 47.2 Ų | 47.2 | 29% | 0.29 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 152.9 | 177.2 | -69.5 | -152.4 | 176.6 | 0 | 0 | 112.5 | T131 R133 | T131-E280 WeakPolarHBondContact CB-OE2 3.47Å; T131-E280 VanDerWaalsContact CG2-CD 3.42Å; T131-E280 WeakPolarHBondContact CG2-OE2 3.37Å; R133-E280 IonicContact NH2-OE2 2.86Å |
| 281 | P | 86.1 | Confident | 83.3 | Confident | 10 Ų | 10 | 54.5 Ų | 54.5 | 7% | 0.065 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 140.2 | 171.6 | -17.9 | 30.3 | 0 | 0 | 0 | 111.5 | F285 E299 R388 | P281-F285 HydrophobicContact CB-CB 4.1Å; P281-F285 HydrophobicContact CB-CD1 3.56Å; P281-F285 HydrophobicContact CB-CE1 4.32Å; P281-F285 HydrophobicContact CB-CG 4.19Å; P281-F285 HydrophobicContact CG-CD1 4.24Å; P281-E299 VanDerWaalsContact CD-OE2 3.31Å; P281-E299 WeakPolarHBondContact CD-OE2 3.49Å; P281-E299 HydrophobicContact CG-CB 4.21Å; P281-E299 HydrophobicContact CG-CG 4.5Å; P281-E299 VanDerWaalsContact CG-OE2 3.29Å; P281-E299 WeakPolarHBondContact CG-OE2 3.21Å; P281-R388 CarbonylContact C-O 3.48Å; P281-R388 VanDerWaalsContact CA-O 3.28Å; P281-R388 WeakPolarHBondContact CA-O 3.24Å; P281-R388 HydrophobicContact CB-CG 3.99Å; P281-R388 HydrophobicContact CG-CG 4.2Å |
| 282 | R | 87.6 | Confident | 83 | Confident | 18 Ų | 18 | 54.5 Ų | 54.5 | 7% | 0.068 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 151.5 | 175.4 | 73.3 | 176.4 | -160.6 | 116.7 | 13.2 | 110.5 | G284 F285 E383 H387 R388 E390 | R282-G284 PolarHBondContact O-N 3.32Å; R282-F285 HydrophobicContact CG-CB 4.11Å; R282-F285 VanDerWaalsContact O-CB 3.29Å; R282-F285 WeakPolarHBondContact O-CB 3.39Å; R282-F285 PolarHBondContact O-N 2.91Å; R282-E383 IonicContact CZ-OE1 3.46Å; R282-E383 IonicContact CZ-OE2 3.72Å; R282-E383 VanDerWaalsContact CZ-OE2 3.27Å; R282-E383 IonicContact NH1-OE1 3.28Å; R282-E383 IonicContact NH1-OE2 3.3Å; R282-E383 PolarHBondContact NH1-OE2 2.84Å; R282-E383 IonicContact NH2-OE1 2.78Å; R282-E383 PolarHBondContact NH2-OE1 2.84Å; R282-E383 IonicContact NH2-OE2 3.33Å; R282-E383 PolarHBondContact NH2-OE2 2.88Å; R282-H387 PolarHBondContact NE-O 3.2Å; R282-R388 PolarHBondContact N-O 2.93Å; R282-E390 HydrophobicContact CB-CB 4.29Å; R282-E390 WeakPolarHBondContact CD-OE2 3.49Å |
| 283 | P | 81.4 | Confident | 82.9 | Confident | 24 Ų | 24 | 57.7 Ų | 57.7 | 16% | 0.156 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -29.3 | -175.9 | -25 | 33.6 | 0 | 0 | 0 | 114.4 | E130 R156 F285 | E130-P283 HydrophobicContact CB-CG 3.94Å; E130-P283 HydrophobicContact CG-CG 3.77Å; R156-P283 HydrophobicContact CB-CB 3.76Å; R156-P283 WeakPolarHBondContact CB-O 3.46Å; R156-P283 HydrophobicContact CG-CB 4.24Å; R156-P283 VanDerWaalsContact CG-O 3.31Å; R156-P283 WeakPolarHBondContact CG-O 3.39Å; P283-F285 VanDerWaalsContact C-N 3.33Å |
| 284 | G | 83.8 | Confident | 82.9 | Confident | 4 Ų | 4 | 61.3 Ų | 61.3 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -19.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115 | R282 | R282-G284 PolarHBondContact O-N 3.32Š|
| 285 | F | 88.4 | Confident | 83 | Confident | 13 Ų | 13 | 60.7 Ų | 60.7 | 6% | 0.057 | 33% | 0.325 | C | S | . | . | trans | -66.4 | 138.9 | -178.1 | -174.4 | -120.5 | 0 | 0 | 0 | 111.6 | P281 R282 P283 P300 Y302 N386 H387 R388 | P281-F285 HydrophobicContact CB-CB 4.1Å; P281-F285 HydrophobicContact CB-CD1 3.56Å; P281-F285 HydrophobicContact CB-CE1 4.32Å; P281-F285 HydrophobicContact CB-CG 4.19Å; P281-F285 HydrophobicContact CG-CD1 4.24Å; R282-F285 HydrophobicContact CG-CB 4.11Å; R282-F285 VanDerWaalsContact O-CB 3.29Å; R282-F285 WeakPolarHBondContact O-CB 3.39Å; R282-F285 PolarHBondContact O-N 2.91Å; P283-F285 VanDerWaalsContact C-N 3.33Å; F285-P300 HydrophobicContact CD1-CB 4.23Å; F285-P300 HydrophobicContact CE1-CB 4.33Å; F285-P300 WeakPolarHBondContact CE1-O 3.39Å; F285-Y302 HydrophobicContact CE2-CG 4.46Å; F285-N386 VanDerWaalsContact CD2-OD1 3.29Å; F285-N386 WeakPolarHBondContact CD2-OD1 3.47Å; F285-H387 WeakPolarHBondContact CD2-O 3.41Å; F285-R388 HydrophobicContact CD1-CB 4.44Å; F285-R388 HydrophobicContact CD1-CG 4.18Å; F285-R388 HydrophobicContact CD2-CB 4.18Å; F285-R388 HydrophobicContact CE1-CB 4.12Å; F285-R388 HydrophobicContact CE1-CG 3.88Å; F285-R388 HydrophobicContact CE2-CB 3.93Å; F285-R388 HydrophobicContact CG-CB 4.43Å; F285-R388 HydrophobicContact CZ-CB 3.89Å; F285-R388 HydrophobicContact CZ-CG 4.13Å | ||
| 286 | H | 86.7 | Confident | 83.3 | Confident | 70 Ų | 70 | 60.1 Ų | 60.1 | 32% | 0.324 | 33% | 0.329 | S | S | . | . | trans | -141.9 | 148.2 | 179.8 | 56.6 | 60.3 | 0 | 0 | 0 | 112 | N386 | H286-N386 VanDerWaalsContact CE1-CG 3.46Å; H286-N386 PolarHBondContact N-OD1 2.87Å; H286-N386 VanDerWaalsContact N-OD1 3.13Å; H286-N386 PolarHBondContact ND1-ND2 3.09Å; H286-N386 PolarHBondContact O-ND2 3.47Å | ||
| 287 | G | 87.4 | Confident | 83.8 | Confident | 26 Ų | 26 | 60.9 Ų | 60.9 | 27% | 0.268 | 33% | 0.329 | S | S | . | . | trans | -175.4 | -173.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L301 | G287-L301 CarbonylContact C-O 3.58Å; G287-L301 VanDerWaalsContact CA-O 3.23Å; G287-L301 WeakPolarHBondContact CA-O 3.3Å | ||
| 288 | V | 87.4 | Confident | 84.6 | Confident | 117 Ų | 117 | 63.8 Ų | 63.8 | 71% | 0.709 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 135.6 | 171.5 | -179.2 | 0 | 0 | 0 | 0 | 107.9 | G290 P300 L301 | V288-G290 PolarHBondContact O-N 3.42Å; V288-P300 CarbonylContact O-C 3.55Å; V288-L301 PolarHBondContact N-O 2.86Å; V288-L301 PolarHBondContact O-N 3.24Å |
| 289 | L | 84.9 | Confident | 85 | Confident | 60 Ų | 60 | 59.5 Ų | 59.5 | 31% | 0.314 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 132.8 | 178.5 | -161.4 | 63.5 | 0 | 0 | 0 | 110.3 | P150 E298 | P150-L289 HydrophobicContact CB-CD2 4.12Å; L289-E298 HydrophobicContact CD1-CG 3.81Å; L289-E298 HydrophobicContact CD2-CG 4.08Å; L289-E298 WeakPolarHBondContact CD2-OE1 3.19Å; L289-E298 HydrophobicContact CG-CG 3.72Å |
| 290 | G | 86.7 | Confident | 85.4 | Confident | 15 Ų | 15 | 58.1 Ų | 58.1 | 16% | 0.155 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | -179.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V288 E298 E299 | V288-G290 PolarHBondContact O-N 3.42Å; G290-E298 WeakPolarHBondContact O-CA 3.28Å; G290-E299 PolarHBondContact N-O 3.47Å; G290-E299 PolarHBondContact O-N 3.47Å |
| 291 | Y | 87.6 | Confident | 85.7 | Confident | 157 Ų | 157 | 58.4 Ų | 58.4 | 62% | 0.616 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 131.3 | 179.9 | -64.6 | -79.3 | 0 | 0 | 0 | 111 | E298 | Y291-E298 HydrophobicContact CD1-CB 4.38Å; Y291-E298 HydrophobicContact CE1-CB 4.14Å |
| 292 | N | 86 | Confident | 86 | Confident | 13 Ų | 13 | 59.6 Ų | 59.6 | 7% | 0.07 | 32% | 0.315 | C | S | . | . | trans | -70.4 | 124.7 | 171.8 | -178.1 | -40.5 | 0 | 0 | 0 | 109.5 | V294 T295 D296 R297 E299 | N292-V294 PolarHBondContact O-N 3.17Å; N292-V294 VanDerWaalsContact O-N 3.1Å; N292-V294 WeakPolarHBondContact OD1-CB 3.5Å; N292-V294 PolarHBondContact OD1-N 3.5Å; N292-T295 WeakPolarHBondContact CB-OG1 3.32Å; N292-T295 PolarHBondContact O-N 3.39Å; N292-T295 PolarHBondContact OD1-N 3.47Å; N292-D296 VanDerWaalsContact O-CA 3.23Å; N292-D296 WeakPolarHBondContact O-CA 3.49Å; N292-D296 PolarHBondContact O-N 2.87Å; N292-R297 PolarHBondContact N-O 3.07Å; N292-E299 HydrophobicContact CB-CG 4.02Å; N292-E299 PolarHBondContact ND2-OE1 3.01Å | ||
| 293 | P | 86.8 | Confident | 86.3 | Confident | 116 Ų | 116 | 62 Ų | 62 | 75% | 0.753 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -10 | -175.7 | 29.5 | -37 | 0 | 0 | 0 | 114.5 | ||
| 294 | V | 85.5 | Confident | 86.8 | Confident | 94 Ų | 94 | 65.8 Ų | 65.8 | 57% | 0.57 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -41.8 | -179.9 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | F278 N292 | F278-V294 HydrophobicContact CD1-CG1 4.44Å; F278-V294 HydrophobicContact CE1-CG1 3.99Å; N292-V294 PolarHBondContact O-N 3.17Å; N292-V294 VanDerWaalsContact O-N 3.1Å; N292-V294 WeakPolarHBondContact OD1-CB 3.5Å; N292-V294 PolarHBondContact OD1-N 3.5Å |
| 295 | T | 83.5 | Confident | 87.3 | Confident | 33 Ų | 33 | 68.9 Ų | 68.9 | 20% | 0.202 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -10 | -173.8 | 58.6 | 0 | 0 | 0 | 0 | 113.7 | F278 N292 R297 | F278-T295 HydrophobicContact CD1-CG2 3.95Å; N292-T295 WeakPolarHBondContact CB-OG1 3.32Å; N292-T295 PolarHBondContact O-N 3.39Å; N292-T295 PolarHBondContact OD1-N 3.47Å; T295-R297 PolarHBondContact O-N 3.32Å |
| 296 | D | 84.1 | Confident | 87.7 | Confident | 125 Ų | 125 | 74.2 Ų | 74.2 | 67% | 0.668 | 40% | 0.4 | S | S | * | . | trans | 53.5 | 15.3 | -170.8 | -67.7 | -41.6 | 0 | 0 | 0 | 114.4 | N292 | N292-D296 VanDerWaalsContact O-CA 3.23Å; N292-D296 WeakPolarHBondContact O-CA 3.49Å; N292-D296 PolarHBondContact O-N 2.87Å | ||
| 297 | R | 81.8 | Confident | 88.1 | Confident | 115 Ų | 115 | 72.7 Ų | 72.7 | 43% | 0.434 | 39% | 0.392 | S | S | . | . | trans | -79.5 | 141.7 | 175.6 | -63.5 | -179 | -173.3 | -175.6 | 0.2 | 109.9 | N292 T295 E299 | N292-R297 PolarHBondContact N-O 3.07Å; T295-R297 PolarHBondContact O-N 3.32Å; R297-E299 PolarHBondContact O-N 2.86Å | ||
| 298 | E | 83.2 | Confident | 88.5 | Confident | 121 Ų | 121 | 75.1 Ų | 75.1 | 57% | 0.565 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 114.3 | 172.5 | -171.4 | 176.6 | -153.4 | 0 | 0 | 109.5 | L289 G290 Y291 | L289-E298 HydrophobicContact CD1-CG 3.81Å; L289-E298 HydrophobicContact CD2-CG 4.08Å; L289-E298 WeakPolarHBondContact CD2-OE1 3.19Å; L289-E298 HydrophobicContact CG-CG 3.72Å; G290-E298 WeakPolarHBondContact O-CA 3.28Å; Y291-E298 HydrophobicContact CD1-CB 4.38Å; Y291-E298 HydrophobicContact CE1-CB 4.14Å |
| 299 | E | 85.7 | Confident | 88.9 | Confident | 16 Ų | 16 | 74.2 Ų | 74.2 | 8% | 0.075 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 161.1 | -179.3 | 65.9 | 175 | -153.5 | 0 | 0 | 111.8 | P281 G290 N292 R297 L301 R388 | P281-E299 VanDerWaalsContact CD-OE2 3.31Å; P281-E299 WeakPolarHBondContact CD-OE2 3.49Å; P281-E299 HydrophobicContact CG-CB 4.21Å; P281-E299 HydrophobicContact CG-CG 4.5Å; P281-E299 VanDerWaalsContact CG-OE2 3.29Å; P281-E299 WeakPolarHBondContact CG-OE2 3.21Å; G290-E299 PolarHBondContact N-O 3.47Å; G290-E299 PolarHBondContact O-N 3.47Å; N292-E299 HydrophobicContact CB-CG 4.02Å; N292-E299 PolarHBondContact ND2-OE1 3.01Å; R297-E299 PolarHBondContact O-N 2.86Å; E299-L301 HydrophobicContact CG-CD2 4.25Å; E299-L301 PolarHBondContact O-N 2.91Å; E299-R388 IonicContact OE1-CZ 2.72Å; E299-R388 IonicContact OE1-NE 3.56Å; E299-R388 PolarHBondContact OE1-NE 2.94Å; E299-R388 IonicContact OE1-NH2 2.91Å; E299-R388 PolarHBondContact OE1-NH2 3.14Å; E299-R388 VanDerWaalsContact OE1-NH2 3.08Å; E299-R388 IonicContact OE2-CZ 2.95Å; E299-R388 IonicContact OE2-NE 3.27Å; E299-R388 IonicContact OE2-NH2 2.91Å; E299-R388 PolarHBondContact OE2-NH2 2.98Å |
| 300 | P | 86.4 | Confident | 89.4 | Confident | 12 Ų | 12 | 74.5 Ų | 74.5 | 8% | 0.078 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 135.9 | 171.5 | -20.4 | 32.6 | 0 | 0 | 0 | 110.5 | F285 V288 | F285-P300 HydrophobicContact CD1-CB 4.23Å; F285-P300 HydrophobicContact CE1-CB 4.33Å; F285-P300 WeakPolarHBondContact CE1-O 3.39Å; V288-P300 CarbonylContact O-C 3.55Å |
| 301 | L | 89.5 | Confident | 89.8 | Confident | 68 Ų | 68 | 74.7 Ų | 74.7 | 36% | 0.356 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 137.3 | 176.7 | -60.7 | 179 | 0 | 0 | 0 | 110.5 | G287 V288 E299 | G287-L301 CarbonylContact C-O 3.58Å; G287-L301 VanDerWaalsContact CA-O 3.23Å; G287-L301 WeakPolarHBondContact CA-O 3.3Å; V288-L301 PolarHBondContact N-O 2.86Å; V288-L301 PolarHBondContact O-N 3.24Å; E299-L301 HydrophobicContact CG-CD2 4.25Å; E299-L301 PolarHBondContact O-N 2.91Å |
| 302 | Y | 91.6 | Very high | 90.2 | Very high | 35 Ų | 35 | 74 Ų | 74 | 14% | 0.137 | 38% | 0.378 | C | S | . | . | trans | -130.9 | 126.4 | 179.2 | -169.2 | -93.9 | 0 | 0 | 0 | 111.2 | F285 N304 K306 R307 R310 N386 | F285-Y302 HydrophobicContact CE2-CG 4.46Å; Y302-N304 PolarHBondContact O-N 3.4Å; Y302-K306 HydrophobicContact CE1-CB 3.93Å; Y302-R307 HydrophobicContact CD1-CB 4.21Å; Y302-R307 HydrophobicContact CE1-CB 3.86Å; Y302-R310 PolarHBondContact OH-NE 2.74Å; Y302-R310 PolarHBondContact OH-NH2 2.95Å; Y302-N386 WeakPolarHBondContact CD2-ND2 3.25Å; Y302-N386 VanDerWaalsContact CG-ND2 3.35Å | ||
| 303 | P | 94.1 | Very high | 90.7 | Very high | 68 Ų | 68 | 79.1 Ų | 79.1 | 44% | 0.442 | 41% | 0.405 | S | S | . | . | trans | -60.9 | 126.5 | -178.2 | -24.9 | 34.2 | 0 | 0 | 0 | 113.2 | A305 K306 R307 | P303-A305 VanDerWaalsContact C-N 3.32Å; P303-A305 PolarHBondContact O-N 3.48Å; P303-K306 HydrophobicContact CB-CB 4.42Å; P303-K306 HydrophobicContact CB-CD 4.25Å; P303-K306 HydrophobicContact CB-CG 4.15Å; P303-K306 HydrophobicContact CG-CD 4.12Å; P303-K306 PolarHBondContact O-N 3.47Å; P303-R307 PolarHBondContact O-N 3.19Å | ||
| 304 | N | 92.2 | Very high | 91.2 | Very high | 103 Ų | 103 | 76.9 Ų | 76.9 | 55% | 0.551 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -60.4 | -38.9 | -179.8 | -71.8 | -20.5 | 0 | 0 | 0 | 112.7 | Y302 K306 R307 Q308 | Y302-N304 PolarHBondContact O-N 3.4Å; N304-K306 VanDerWaalsContact C-N 3.33Å; N304-K306 PolarHBondContact O-N 3.35Å; N304-R307 WeakPolarHBondContact O-CB 3.49Å; N304-R307 PolarHBondContact O-N 3.15Å; N304-R307 VanDerWaalsContact O-N 3.15Å; N304-R307 VanDerWaalsContact OD1-CZ 3.3Å; N304-R307 PolarHBondContact OD1-NH1 2.83Å; N304-R307 PolarHBondContact OD1-NH2 2.97Å; N304-Q308 WeakPolarHBondContact O-CG 3.29Å; N304-Q308 PolarHBondContact O-N 3.33Å |
| 305 | A | 94.9 | Very high | 91.7 | Very high | 69 Ų | 69 | 72.6 Ų | 72.6 | 57% | 0.57 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -59.6 | -41.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P303 R307 Q308 L309 | P303-A305 VanDerWaalsContact C-N 3.32Å; P303-A305 PolarHBondContact O-N 3.48Å; A305-R307 VanDerWaalsContact C-N 3.33Å; A305-R307 PolarHBondContact O-N 2.97Å; A305-Q308 PolarHBondContact O-N 3.24Å; A305-L309 VanDerWaalsContact O-CG 3.27Å; A305-L309 WeakPolarHBondContact O-CG 3.32Å; A305-L309 PolarHBondContact O-N 2.91Å |
| 306 | K | 95.4 | Very high | 92.3 | Very high | 126 Ų | 126 | 74.8 Ų | 74.8 | 55% | 0.548 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 176.4 | -69.4 | -175.3 | -179.5 | -179.1 | 0 | 111.2 | Y302 P303 N304 L309 R310 | Y302-K306 HydrophobicContact CE1-CB 3.93Å; P303-K306 HydrophobicContact CB-CB 4.42Å; P303-K306 HydrophobicContact CB-CD 4.25Å; P303-K306 HydrophobicContact CB-CG 4.15Å; P303-K306 HydrophobicContact CG-CD 4.12Å; P303-K306 PolarHBondContact O-N 3.47Å; N304-K306 VanDerWaalsContact C-N 3.33Å; N304-K306 PolarHBondContact O-N 3.35Å; K306-L309 PolarHBondContact O-N 2.93Å; K306-R310 WeakPolarHBondContact O-CG 3.32Å; K306-R310 PolarHBondContact O-N 2.93Å; K306-R310 VanDerWaalsContact O-N 3.11Å |
| 307 | R | 95.1 | Very high | 93 | Very high | 38 Ų | 38 | 71.7 Ų | 71.7 | 14% | 0.143 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.7 | -47 | 177.1 | -177.3 | 167.9 | 68.4 | -101.7 | -5.2 | 111.3 | Y302 P303 N304 A305 L309 R310 I311 E385 | Y302-R307 HydrophobicContact CD1-CB 4.21Å; Y302-R307 HydrophobicContact CE1-CB 3.86Å; P303-R307 PolarHBondContact O-N 3.19Å; N304-R307 WeakPolarHBondContact O-CB 3.49Å; N304-R307 PolarHBondContact O-N 3.15Å; N304-R307 VanDerWaalsContact O-N 3.15Å; N304-R307 VanDerWaalsContact OD1-CZ 3.3Å; N304-R307 PolarHBondContact OD1-NH1 2.83Å; N304-R307 PolarHBondContact OD1-NH2 2.97Å; A305-R307 VanDerWaalsContact C-N 3.33Å; A305-R307 PolarHBondContact O-N 2.97Å; R307-L309 VanDerWaalsContact C-N 3.32Å; R307-L309 PolarHBondContact O-N 3.26Å; R307-R310 WeakPolarHBondContact O-CB 3.13Å; R307-R310 PolarHBondContact O-N 3.49Å; R307-R310 VanDerWaalsContact O-N 3.14Å; R307-I311 HydrophobicContact CG-CD1 3.95Å; R307-I311 WeakPolarHBondContact O-CG1 3.41Å; R307-I311 PolarHBondContact O-N 3.37Å; R307-E385 WeakPolarHBondContact CG-O 2.97Å |
| 308 | Q | 95.2 | Very high | 93.7 | Very high | 76 Ų | 76 | 69.8 Ų | 69.8 | 36% | 0.355 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 179.6 | -65.1 | -60 | -5.7 | 0 | 0 | 112.1 | N304 A305 R310 I311 Y312 | N304-Q308 WeakPolarHBondContact O-CG 3.29Å; N304-Q308 PolarHBondContact O-N 3.33Å; A305-Q308 PolarHBondContact O-N 3.24Å; Q308-R310 VanDerWaalsContact C-N 3.34Å; Q308-R310 PolarHBondContact O-N 3.43Å; Q308-I311 PolarHBondContact O-N 3.42Å; Q308-Y312 HydrophobicContact CB-CD2 4.26Å; Q308-Y312 HydrophobicContact CB-CE2 4.34Å; Q308-Y312 VanDerWaalsContact O-CD2 3.23Å; Q308-Y312 WeakPolarHBondContact O-CD2 3.35Å; Q308-Y312 PolarHBondContact O-N 2.83Å; Q308-Y312 VanDerWaalsContact OE1-CE2 3.28Å |
| 309 | L | 96.1 | Very high | 94.3 | Very high | 99 Ų | 99 | 64.7 Ų | 64.7 | 52% | 0.518 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 173.3 | -70.5 | 168.6 | 0 | 0 | 0 | 112.1 | A305 K306 R307 I311 L313 | A305-L309 VanDerWaalsContact O-CG 3.27Å; A305-L309 WeakPolarHBondContact O-CG 3.32Å; A305-L309 PolarHBondContact O-N 2.91Å; K306-L309 PolarHBondContact O-N 2.93Å; R307-L309 VanDerWaalsContact C-N 3.32Å; R307-L309 PolarHBondContact O-N 3.26Å; L309-I311 VanDerWaalsContact C-N 3.34Å; L309-I311 PolarHBondContact O-N 3.47Å; L309-L313 HydrophobicContact CB-CD1 4.4Å; L309-L313 HydrophobicContact CD2-CD1 3.7Å; L309-L313 HydrophobicContact CD2-CG 4.43Å; L309-L313 WeakPolarHBondContact O-CB 3.32Å; L309-L313 WeakPolarHBondContact O-CG 3.19Å; L309-L313 PolarHBondContact O-N 3.45Å |
| 310 | R | 96.1 | Very high | 94.8 | Very high | 66 Ų | 66 | 68.7 Ų | 68.7 | 25% | 0.249 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 174.8 | -71.7 | -172.8 | 179.2 | -169.2 | -2.4 | 112.3 | Y302 K306 R307 Q308 V314 S315 W384 | Y302-R310 PolarHBondContact OH-NE 2.74Å; Y302-R310 PolarHBondContact OH-NH2 2.95Å; K306-R310 WeakPolarHBondContact O-CG 3.32Å; K306-R310 PolarHBondContact O-N 2.93Å; K306-R310 VanDerWaalsContact O-N 3.11Å; R307-R310 WeakPolarHBondContact O-CB 3.13Å; R307-R310 PolarHBondContact O-N 3.49Å; R307-R310 VanDerWaalsContact O-N 3.14Å; Q308-R310 VanDerWaalsContact C-N 3.34Å; Q308-R310 PolarHBondContact O-N 3.43Å; R310-V314 WeakPolarHBondContact O-CB 3.2Å; R310-V314 PolarHBondContact O-N 2.75Å; R310-S315 PolarHBondContact O-N 3.33Å; R310-S315 VanDerWaalsContact O-N 3.14Å; R310-W384 HydrophobicContact CB-CE3 4.06Å; R310-W384 HydrophobicContact CB-CH2 3.84Å; R310-W384 HydrophobicContact CB-CZ3 3.38Å; R310-W384 HydrophobicContact CG-CE3 4.16Å; R310-W384 HydrophobicContact CG-CH2 3.4Å; R310-W384 HydrophobicContact CG-CZ2 4.04Å; R310-W384 HydrophobicContact CG-CZ3 3.47Å; R310-W384 VanDerWaalsContact CG-CZ3 3.47Å; R310-W384 PolarHBondContact NH1-O 2.97Å |
| 311 | I | 94.8 | Very high | 95.3 | Very high | 18 Ų | 18 | 72.6 Ų | 72.6 | 9% | 0.092 | 37% | 0.373 | C | S | . | . | I | π-helix | trans | -65.8 | -56.5 | 179.5 | -65.8 | 167.6 | 0 | 0 | 0 | 110.2 | R307 Q308 L309 S315 L316 E385 | R307-I311 HydrophobicContact CG-CD1 3.95Å; R307-I311 WeakPolarHBondContact O-CG1 3.41Å; R307-I311 PolarHBondContact O-N 3.37Å; Q308-I311 PolarHBondContact O-N 3.42Å; L309-I311 VanDerWaalsContact C-N 3.34Å; L309-I311 PolarHBondContact O-N 3.47Å; I311-S315 VanDerWaalsContact O-CB 3.25Å; I311-S315 WeakPolarHBondContact O-CB 3.23Å; I311-S315 PolarHBondContact O-N 3.19Å; I311-L316 PolarHBondContact O-N 3.02Å; I311-E385 HydrophobicContact CG1-CB 4.39Å; I311-E385 HydrophobicContact CG1-CG 3.82Å |
| 312 | Y | 96.3 | Very high | 95.6 | Very high | 144 Ų | 144 | 70.3 Ų | 70.3 | 57% | 0.565 | 36% | 0.362 | S | S | * | . | I | π-helix | trans | -77.6 | -29.4 | -170.9 | -68.9 | -63.4 | 0 | 0 | 0 | 114.6 | Q308 L316 P317 | Q308-Y312 HydrophobicContact CB-CD2 4.26Å; Q308-Y312 HydrophobicContact CB-CE2 4.34Å; Q308-Y312 VanDerWaalsContact O-CD2 3.23Å; Q308-Y312 WeakPolarHBondContact O-CD2 3.35Å; Q308-Y312 PolarHBondContact O-N 2.83Å; Q308-Y312 VanDerWaalsContact OE1-CE2 3.28Å; Y312-L316 HydrophobicContact CD1-CD2 4.17Å; Y312-P317 VanDerWaalsContact O-CD 3.29Å; Y312-P317 WeakPolarHBondContact O-CD 3.41Å |
| 313 | L | 97.2 | Very high | 95.8 | Very high | 120 Ų | 120 | 69.4 Ų | 69.4 | 63% | 0.628 | 36% | 0.36 | S | S | * | . | I | π-helix | trans | -98.2 | -17.1 | -175.2 | -58.4 | 179.9 | 0 | 0 | 0 | 114.3 | L309 | L309-L313 HydrophobicContact CB-CD1 4.4Å; L309-L313 HydrophobicContact CD2-CD1 3.7Å; L309-L313 HydrophobicContact CD2-CG 4.43Å; L309-L313 WeakPolarHBondContact O-CB 3.32Å; L309-L313 WeakPolarHBondContact O-CG 3.19Å; L309-L313 PolarHBondContact O-N 3.45Å |
| 314 | V | 97.2 | Very high | 95.9 | Very high | 69 Ų | 69 | 73.2 Ų | 73.2 | 42% | 0.418 | 37% | 0.366 | S | S | . | . | I | π-helix | trans | -121.5 | -55.3 | -179.7 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | R310 F318 L381 W384 | R310-V314 WeakPolarHBondContact O-CB 3.2Å; R310-V314 PolarHBondContact O-N 2.75Å; V314-F318 VanDerWaalsContact O-CB 3.28Å; V314-F318 WeakPolarHBondContact O-CB 3.31Å; V314-F318 PolarHBondContact O-N 2.96Å; V314-F318 VanDerWaalsContact O-N 3.07Å; V314-L381 HydrophobicContact CG1-CD1 4.31Å; V314-W384 HydrophobicContact CB-CH2 4.25Å; V314-W384 HydrophobicContact CB-CZ3 3.98Å; V314-W384 HydrophobicContact CG1-CH2 4.4Å; V314-W384 HydrophobicContact CG1-CZ3 4.12Å; V314-W384 HydrophobicContact CG2-CH2 3.94Å; V314-W384 HydrophobicContact CG2-CZ3 4.18Å |
| 315 | S | 95.6 | Very high | 96 | Very high | 3 Ų | 3 | 72.2 Ų | 72.2 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | I | π-helix | trans | -67.9 | -50.5 | -171.3 | -172.3 | 0 | 0 | 0 | 0 | 112.7 | R310 I311 F318 V319 L381 E385 K400 | R310-S315 PolarHBondContact O-N 3.33Å; R310-S315 VanDerWaalsContact O-N 3.14Å; I311-S315 VanDerWaalsContact O-CB 3.25Å; I311-S315 WeakPolarHBondContact O-CB 3.23Å; I311-S315 PolarHBondContact O-N 3.19Å; S315-F318 WeakPolarHBondContact O-CB 3.22Å; S315-F318 PolarHBondContact O-N 3.48Å; S315-V319 WeakPolarHBondContact O-CG2 3.34Å; S315-V319 PolarHBondContact O-N 3.04Å; S315-L381 VanDerWaalsContact OG-CD2 3.3Å; S315-L381 WeakPolarHBondContact OG-CD2 3.38Å; S315-L381 WeakPolarHBondContact OG-CG 3.22Å; S315-E385 WeakPolarHBondContact CB-OE1 3.21Å; S315-E385 PolarHBondContact OG-OE1 3.35Å; S315-K400 WeakPolarHBondContact OG-CE 3.4Å |
| 316 | L | 96.1 | Very high | 96 | Very high | 80 Ų | 80 | 69.1 Ų | 69.1 | 42% | 0.419 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.3 | -48.4 | 178.6 | 176.4 | 67.6 | 0 | 0 | 0 | 112.9 | I311 Y312 F318 V319 L320 | I311-L316 PolarHBondContact O-N 3.02Å; Y312-L316 HydrophobicContact CD1-CD2 4.17Å; L316-F318 VanDerWaalsContact C-N 3.29Å; L316-F318 PolarHBondContact O-N 3.32Å; L316-V319 PolarHBondContact O-N 3.03Å; L316-L320 HydrophobicContact CD1-CD1 4.41Å; L316-L320 HydrophobicContact CD1-CG 4.34Å; L316-L320 HydrophobicContact CG-CD1 4.25Å; L316-L320 WeakPolarHBondContact O-CG 3.4Å; L316-L320 PolarHBondContact O-N 3.08Å |
| 317 | P | 97.8 | Very high | 95.9 | Very high | 60 Ų | 60 | 66.2 Ų | 66.2 | 39% | 0.39 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59 | -37.3 | 174.4 | -28.2 | 36.9 | 0 | 0 | 0 | 113.7 | Y312 L320 L321 | Y312-P317 VanDerWaalsContact O-CD 3.29Å; Y312-P317 WeakPolarHBondContact O-CD 3.41Å; P317-L320 PolarHBondContact O-N 3.41Å; P317-L321 WeakPolarHBondContact O-CB 3.44Å; P317-L321 PolarHBondContact O-N 3.04Å |
| 318 | F | 97.1 | Very high | 95.8 | Very high | 75 Ų | 75 | 70.8 Ų | 70.8 | 33% | 0.329 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63 | -46.6 | 175.3 | 176.2 | -95.3 | 0 | 0 | 0 | 111.8 | V314 S315 L316 L320 L321 C322 Y374 A377 L381 | V314-F318 VanDerWaalsContact O-CB 3.28Å; V314-F318 WeakPolarHBondContact O-CB 3.31Å; V314-F318 PolarHBondContact O-N 2.96Å; V314-F318 VanDerWaalsContact O-N 3.07Å; S315-F318 WeakPolarHBondContact O-CB 3.22Å; S315-F318 PolarHBondContact O-N 3.48Å; L316-F318 VanDerWaalsContact C-N 3.29Å; L316-F318 PolarHBondContact O-N 3.32Å; F318-L320 PolarHBondContact O-N 2.97Å; F318-L321 WeakPolarHBondContact O-CB 3.29Å; F318-L321 PolarHBondContact O-N 3.11Å; F318-C322 PolarHBondContact O-N 3.15Å; F318-C322 PolarHBondContact O-SG 3.2Å; F318-C322 VanDerWaalsContact O-SG 3.42Å; F318-Y374 HydrophobicContact CE1-CE2 4.37Å; F318-A377 HydrophobicContact CE1-CB 3.97Å; F318-A377 HydrophobicContact CZ-CB 3.79Å; F318-L381 HydrophobicContact CB-CD2 4.37Å; F318-L381 HydrophobicContact CD1-CD2 3.64Å; F318-L381 HydrophobicContact CE1-CD2 4.33Å; F318-L381 HydrophobicContact CG-CD2 4.25Å |
| 319 | V | 96.3 | Very high | 95.8 | Very high | 14 Ų | 14 | 69.1 Ų | 69.1 | 9% | 0.085 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.4 | -48.1 | 175.7 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | S315 L316 L321 C322 L323 Y374 K400 | S315-V319 WeakPolarHBondContact O-CG2 3.34Å; S315-V319 PolarHBondContact O-N 3.04Å; L316-V319 PolarHBondContact O-N 3.03Å; V319-L321 VanDerWaalsContact C-N 3.31Å; V319-L321 PolarHBondContact O-N 3.24Å; V319-C322 WeakPolarHBondContact O-CB 3.37Å; V319-C322 PolarHBondContact O-N 2.79Å; V319-C322 VanDerWaalsContact O-N 3.15Å; V319-L323 HydrophobicContact CG1-CD1 4.25Å; V319-L323 HydrophobicContact CG1-CG 4.43Å; V319-L323 WeakPolarHBondContact O-CG 3.38Å; V319-L323 PolarHBondContact O-N 3.39Å; V319-Y374 WeakPolarHBondContact CG2-OH 3.17Å; V319-K400 HydrophobicContact CG2-CB 4.5Å; V319-K400 HydrophobicContact CG2-CD 4.36Å; V319-K400 HydrophobicContact CG2-CG 4.03Å |
| 320 | L | 96.4 | Very high | 95.6 | Very high | 100 Ų | 100 | 64.9 Ų | 64.9 | 52% | 0.524 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.8 | -38.8 | 178.9 | -67.5 | 174 | 0 | 0 | 0 | 112.6 | L316 P317 F318 L323 Y324 | L316-L320 HydrophobicContact CD1-CD1 4.41Å; L316-L320 HydrophobicContact CD1-CG 4.34Å; L316-L320 HydrophobicContact CG-CD1 4.25Å; L316-L320 WeakPolarHBondContact O-CG 3.4Å; L316-L320 PolarHBondContact O-N 3.08Å; P317-L320 PolarHBondContact O-N 3.41Å; F318-L320 PolarHBondContact O-N 2.97Å; L320-L323 HydrophobicContact CD2-CD1 4.45Å; L320-L323 PolarHBondContact O-N 3.26Å; L320-Y324 PolarHBondContact O-N 3.01Å |
| 321 | L | 96.5 | Very high | 95.5 | Very high | 94 Ų | 94 | 65 Ų | 65 | 49% | 0.492 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 174 | 176.5 | 64.6 | 0 | 0 | 0 | 111.4 | P317 F318 V319 L323 Y324 L325 | P317-L321 WeakPolarHBondContact O-CB 3.44Å; P317-L321 PolarHBondContact O-N 3.04Å; F318-L321 WeakPolarHBondContact O-CB 3.29Å; F318-L321 PolarHBondContact O-N 3.11Å; V319-L321 VanDerWaalsContact C-N 3.31Å; V319-L321 PolarHBondContact O-N 3.24Å; L321-L323 VanDerWaalsContact C-N 3.32Å; L321-L323 PolarHBondContact O-N 3.35Å; L321-Y324 PolarHBondContact O-N 3.25Å; L321-L325 HydrophobicContact CD1-CD1 4.47Å; L321-L325 HydrophobicContact CD1-CG 4.45Å; L321-L325 HydrophobicContact CG-CD1 4.24Å; L321-L325 WeakPolarHBondContact O-CG 3.36Å; L321-L325 PolarHBondContact O-N 2.97Å |
| 322 | C | 96.3 | Very high | 95.5 | Very high | 19 Ų | 19 | 67.1 Ų | 67.1 | 13% | 0.128 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 176.8 | -69.5 | 0 | 0 | 0 | 0 | 112.3 | F318 V319 L325 S326 Y374 F404 | F318-C322 PolarHBondContact O-N 3.15Å; F318-C322 PolarHBondContact O-SG 3.2Å; F318-C322 VanDerWaalsContact O-SG 3.42Å; V319-C322 WeakPolarHBondContact O-CB 3.37Å; V319-C322 PolarHBondContact O-N 2.79Å; V319-C322 VanDerWaalsContact O-N 3.15Å; C322-L325 PolarHBondContact O-N 3.05Å; C322-S326 PolarHBondContact O-N 2.72Å; C322-Y374 HydrophobicContact CB-CD2 3.83Å; C322-Y374 HydrophobicContact CB-CE2 3.67Å; C322-F404 HydrophobicContact CB-CD2 4.18Å; C322-F404 HydrophobicContact CB-CE2 4.03Å |
| 323 | L | 95.7 | Very high | 95.3 | Very high | 17 Ų | 17 | 61.1 Ų | 61.1 | 9% | 0.089 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64 | -43.5 | 174.8 | -66 | 177.3 | 0 | 0 | 0 | 111.9 | V319 L320 L321 L325 S326 L327 V403 F404 F407 | V319-L323 HydrophobicContact CG1-CD1 4.25Å; V319-L323 HydrophobicContact CG1-CG 4.43Å; V319-L323 WeakPolarHBondContact O-CG 3.38Å; V319-L323 PolarHBondContact O-N 3.39Å; L320-L323 HydrophobicContact CD2-CD1 4.45Å; L320-L323 PolarHBondContact O-N 3.26Å; L321-L323 VanDerWaalsContact C-N 3.32Å; L321-L323 PolarHBondContact O-N 3.35Å; L323-L325 PolarHBondContact O-N 3.41Å; L323-S326 WeakPolarHBondContact O-CB 3.5Å; L323-S326 PolarHBondContact O-N 2.8Å; L323-L327 WeakPolarHBondContact O-CG 3.48Å; L323-L327 PolarHBondContact O-N 3.42Å; L323-V403 HydrophobicContact CD1-CG1 3.83Å; L323-V403 HydrophobicContact CD2-CG1 4.19Å; L323-F404 HydrophobicContact CD2-CD2 4.18Å; L323-F407 HydrophobicContact CD1-CD2 4.33Å; L323-F407 HydrophobicContact CD1-CE2 4.29Å; L323-F407 HydrophobicContact CD2-CB 3.78Å; L323-F407 HydrophobicContact CD2-CD2 3.75Å; L323-F407 HydrophobicContact CD2-CG 3.8Å |
| 324 | Y | 95.6 | Very high | 95 | Very high | 148 Ų | 148 | 56.4 Ų | 56.4 | 58% | 0.58 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -60.5 | -44.7 | 174.7 | 170.5 | -100.7 | 0 | 0 | 0 | 112.1 | L320 L321 S326 L327 Y328 | L320-Y324 PolarHBondContact O-N 3.01Å; L321-Y324 PolarHBondContact O-N 3.25Å; Y324-S326 VanDerWaalsContact C-N 3.32Å; Y324-S326 PolarHBondContact O-N 3.26Å; Y324-L327 PolarHBondContact O-N 2.92Å; Y324-Y328 PolarHBondContact O-N 2.9Å |
| 325 | L | 94.9 | Very high | 94.8 | Very high | 81 Ų | 81 | 59.6 Ų | 59.6 | 42% | 0.424 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.8 | -38.7 | 177.3 | -70.7 | 172.6 | 0 | 0 | 0 | 112.1 | L321 C322 L323 Y328 V329 | L321-L325 HydrophobicContact CD1-CD1 4.47Å; L321-L325 HydrophobicContact CD1-CG 4.45Å; L321-L325 HydrophobicContact CG-CD1 4.24Å; L321-L325 WeakPolarHBondContact O-CG 3.36Å; L321-L325 PolarHBondContact O-N 2.97Å; C322-L325 PolarHBondContact O-N 3.05Å; L323-L325 PolarHBondContact O-N 3.41Å; L325-Y328 WeakPolarHBondContact O-CB 3.5Å; L325-Y328 PolarHBondContact O-N 3.38Å; L325-V329 WeakPolarHBondContact O-CG2 3.34Å; L325-V329 PolarHBondContact O-N 2.83Å |
| 326 | S | 93.7 | Very high | 94.6 | Very high | 5 Ų | 5 | 62.5 Ų | 62.5 | 4% | 0.035 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.3 | -49.2 | 173.3 | 163.1 | 0 | 0 | 0 | 0 | 112.2 | C322 L323 Y324 Y328 V329 M330 N408 | C322-S326 PolarHBondContact O-N 2.72Å; L323-S326 WeakPolarHBondContact O-CB 3.5Å; L323-S326 PolarHBondContact O-N 2.8Å; Y324-S326 VanDerWaalsContact C-N 3.32Å; Y324-S326 PolarHBondContact O-N 3.26Å; S326-Y328 PolarHBondContact O-N 3.28Å; S326-V329 PolarHBondContact O-N 2.83Å; S326-V329 VanDerWaalsContact O-N 3.15Å; S326-M330 PolarHBondContact O-N 2.68Å; S326-N408 WeakPolarHBondContact CB-OD1 3.37Å; S326-N408 PolarHBondContact OG-OD1 3.24Å |
| 327 | L | 93.5 | Very high | 94.2 | Very high | 65 Ų | 65 | 60.3 Ų | 60.3 | 34% | 0.34 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.9 | -37.4 | 176.2 | -68.6 | 174.6 | 0 | 0 | 0 | 111.9 | L323 Y324 M330 M331 A411 | L323-L327 WeakPolarHBondContact O-CG 3.48Å; L323-L327 PolarHBondContact O-N 3.42Å; Y324-L327 PolarHBondContact O-N 2.92Å; L327-M330 HydrophobicContact CD2-CE 4.32Å; L327-M330 WeakPolarHBondContact O-CB 3.23Å; L327-M330 PolarHBondContact O-N 3.17Å; L327-M331 WeakPolarHBondContact O-CG 3.04Å; L327-M331 PolarHBondContact O-N 2.84Å; L327-A411 HydrophobicContact CD2-CB 3.8Å |
| 328 | Y | 94.5 | Very high | 93.9 | Very high | 134 Ų | 134 | 59.3 Ų | 59.3 | 53% | 0.525 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 175.9 | -176.8 | -105.5 | 0 | 0 | 0 | 112.6 | Y324 L325 S326 M330 M331 I332 | Y324-Y328 PolarHBondContact O-N 2.9Å; L325-Y328 WeakPolarHBondContact O-CB 3.5Å; L325-Y328 PolarHBondContact O-N 3.38Å; S326-Y328 PolarHBondContact O-N 3.28Å; Y328-M330 VanDerWaalsContact C-N 3.32Å; Y328-M330 PolarHBondContact O-N 3.09Å; Y328-M331 PolarHBondContact O-N 2.93Å; Y328-I332 HydrophobicContact CD1-CD1 3.88Å; Y328-I332 HydrophobicContact CE1-CD1 3.49Å; Y328-I332 VanDerWaalsContact CE1-CD1 3.49Å; Y328-I332 HydrophobicContact CE1-CG1 4.31Å; Y328-I332 PolarHBondContact O-N 3.46Å; Y328-I332 VanDerWaalsContact O-N 3.09Å |
| 329 | V | 94.3 | Very high | 93.7 | Very high | 41 Ų | 41 | 62.9 Ų | 62.9 | 25% | 0.248 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 174.5 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | L325 S326 M331 I332 Y333 Y363 V366 M370 | L325-V329 WeakPolarHBondContact O-CG2 3.34Å; L325-V329 PolarHBondContact O-N 2.83Å; S326-V329 PolarHBondContact O-N 2.83Å; S326-V329 VanDerWaalsContact O-N 3.15Å; V329-M331 VanDerWaalsContact C-N 3.33Å; V329-M331 PolarHBondContact O-N 3.4Å; V329-I332 WeakPolarHBondContact O-CB 3.48Å; V329-I332 PolarHBondContact O-N 3.47Å; V329-Y333 PolarHBondContact O-N 2.99Å; V329-Y363 HydrophobicContact CG1-CE2 4.35Å; V329-V366 HydrophobicContact CG1-CG1 3.82Å; V329-M370 HydrophobicContact CB-SD 4.3Å; V329-M370 HydrophobicContact CG1-SD 4.14Å; V329-M370 HydrophobicContact CG2-CE 4.48Å; V329-M370 HydrophobicContact CG2-SD 4.05Å |
| 330 | M | 92.9 | Very high | 93.4 | Very high | 10 Ų | 10 | 62.2 Ų | 62.2 | 5% | 0.049 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.6 | -41.7 | 174 | -178.6 | -160.7 | 75.8 | 0 | 0 | 111.9 | S326 L327 Y328 I332 Y333 F334 A411 S412 Y415 | S326-M330 PolarHBondContact O-N 2.68Å; L327-M330 HydrophobicContact CD2-CE 4.32Å; L327-M330 WeakPolarHBondContact O-CB 3.23Å; L327-M330 PolarHBondContact O-N 3.17Å; Y328-M330 VanDerWaalsContact C-N 3.32Å; Y328-M330 PolarHBondContact O-N 3.09Å; M330-I332 VanDerWaalsContact C-N 3.34Å; M330-I332 PolarHBondContact O-N 2.95Å; M330-Y333 WeakPolarHBondContact O-CB 3.48Å; M330-Y333 PolarHBondContact O-N 3Å; M330-F334 HydrophobicContact CE-CE2 4.29Å; M330-F334 HydrophobicContact CG-CD2 4.05Å; M330-F334 HydrophobicContact CG-CE2 3.68Å; M330-F334 WeakPolarHBondContact O-CD2 3.33Å; M330-F334 PolarHBondContact O-N 3.46Å; M330-F334 VanDerWaalsContact O-N 3.12Å; M330-F334 HydrophobicContact SD-CE2 4.06Å; M330-A411 HydrophobicContact SD-CB 3.62Å; M330-S412 PolarHBondContact SD-N 3.49Å; M330-S412 VanDerWaalsContact SD-N 3.44Å; M330-Y415 HydrophobicContact CE-CD2 4.08Å; M330-Y415 HydrophobicContact CE-CG 4.26Å |
| 331 | M | 92.8 | Very high | 93.1 | Very high | 69 Ų | 69 | 61.3 Ų | 61.3 | 34% | 0.34 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64 | -38.1 | 176 | -68.4 | -54.6 | -59.2 | 0 | 0 | 112.5 | L327 Y328 V329 Y333 F334 Q335 Y415 | L327-M331 WeakPolarHBondContact O-CG 3.04Å; L327-M331 PolarHBondContact O-N 2.84Å; Y328-M331 PolarHBondContact O-N 2.93Å; V329-M331 VanDerWaalsContact C-N 3.33Å; V329-M331 PolarHBondContact O-N 3.4Å; M331-Y333 VanDerWaalsContact C-N 3.31Å; M331-F334 PolarHBondContact O-N 2.91Å; M331-Q335 WeakPolarHBondContact O-CG 3.35Å; M331-Q335 PolarHBondContact O-N 3.39Å; M331-Q335 VanDerWaalsContact O-N 3.08Å; M331-Y415 HydrophobicContact CE-CE2 4.16Å; M331-Y415 HydrophobicContact SD-CD2 4.33Å; M331-Y415 HydrophobicContact SD-CE2 3.83Å |
| 332 | I | 94.5 | Very high | 92.8 | Very high | 61 Ų | 61 | 59 Ų | 59 | 31% | 0.313 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 173.5 | -66.2 | 166.9 | 0 | 0 | 0 | 110.5 | Y328 V329 M330 F334 Q335 M336 | Y328-I332 HydrophobicContact CD1-CD1 3.88Å; Y328-I332 HydrophobicContact CE1-CD1 3.49Å; Y328-I332 VanDerWaalsContact CE1-CD1 3.49Å; Y328-I332 HydrophobicContact CE1-CG1 4.31Å; Y328-I332 PolarHBondContact O-N 3.46Å; Y328-I332 VanDerWaalsContact O-N 3.09Å; V329-I332 WeakPolarHBondContact O-CB 3.48Å; V329-I332 PolarHBondContact O-N 3.47Å; M330-I332 VanDerWaalsContact C-N 3.34Å; M330-I332 PolarHBondContact O-N 2.95Å; I332-F334 PolarHBondContact O-N 2.77Å; I332-Q335 WeakPolarHBondContact O-CB 3.23Å; I332-Q335 PolarHBondContact O-N 3.25Å; I332-M336 HydrophobicContact CG2-CE 4.19Å; I332-M336 HydrophobicContact CG2-CG 4.37Å; I332-M336 HydrophobicContact CG2-SD 4.38Å; I332-M336 WeakPolarHBondContact O-CG 3.45Å; I332-M336 PolarHBondContact O-N 3.19Å |
| 333 | Y | 91.8 | Very high | 92.6 | Very high | 19 Ų | 19 | 60.1 Ų | 60.1 | 8% | 0.075 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.8 | -51.5 | 175.2 | 157.3 | -102.3 | 0 | 0 | 0 | 111.9 | V329 M330 M331 Q335 M336 E337 P359 Y363 | V329-Y333 PolarHBondContact O-N 2.99Å; M330-Y333 WeakPolarHBondContact O-CB 3.48Å; M330-Y333 PolarHBondContact O-N 3Å; M331-Y333 VanDerWaalsContact C-N 3.31Å; Y333-Q335 VanDerWaalsContact C-N 3.27Å; Y333-Q335 PolarHBondContact O-N 3.01Å; Y333-M336 WeakPolarHBondContact O-CB 3.42Å; Y333-M336 PolarHBondContact O-N 3.44Å; Y333-M336 VanDerWaalsContact O-N 3.1Å; Y333-E337 WeakPolarHBondContact CE1-OE2 3.39Å; Y333-E337 PolarHBondContact O-N 3.36Å; Y333-E337 PolarHBondContact OH-OE1 2.88Å; Y333-E337 PolarHBondContact OH-OE2 3.15Å; Y333-P359 HydrophobicContact CD2-CB 4.46Å; Y333-P359 HydrophobicContact CE2-CB 4.4Å; Y333-Y363 AromaticContact CD1-CD1 3.99Å; Y333-Y363 HydrophobicContact CD1-CD1 3.99Å; Y333-Y363 HydrophobicContact CD1-CE1 4.09Å; Y333-Y363 HydrophobicContact CD1-CG 4.28Å; Y333-Y363 VanDerWaalsContact CD2-CB 3.42Å; Y333-Y363 AromaticContact CD2-CD1 3.84Å; Y333-Y363 HydrophobicContact CD2-CD1 3.84Å; Y333-Y363 HydrophobicContact CD2-CD2 4.29Å; Y333-Y363 AromaticContact CD2-CG 3.6Å; Y333-Y363 HydrophobicContact CD2-CG 3.6Å; Y333-Y363 HydrophobicContact CE1-CD1 4.26Å; Y333-Y363 HydrophobicContact CE1-CE1 4.44Å; Y333-Y363 HydrophobicContact CE2-CD1 4.09Å; Y333-Y363 HydrophobicContact CE2-CG 4.24Å; Y333-Y363 AromaticContact CG-CD1 3.77Å; Y333-Y363 HydrophobicContact CG-CD1 3.77Å; Y333-Y363 AromaticContact CG-CD2 3.91Å; Y333-Y363 HydrophobicContact CG-CD2 3.91Å; Y333-Y363 HydrophobicContact CG-CE1 4.24Å; Y333-Y363 HydrophobicContact CG-CE2 4.37Å; Y333-Y363 AromaticContact CG-CG 3.6Å; Y333-Y363 HydrophobicContact CG-CG 3.6Å |
| 334 | F | 90.8 | Very high | 92.4 | Very high | 21 Ų | 21 | 61.6 Ų | 61.6 | 9% | 0.092 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.3 | -33.3 | 179 | -75.9 | -62.2 | 0 | 0 | 0 | 112.8 | M330 M331 I332 G338 Y415 I416 M420 | M330-F334 HydrophobicContact CE-CE2 4.29Å; M330-F334 HydrophobicContact CG-CD2 4.05Å; M330-F334 HydrophobicContact CG-CE2 3.68Å; M330-F334 WeakPolarHBondContact O-CD2 3.33Å; M330-F334 PolarHBondContact O-N 3.46Å; M330-F334 VanDerWaalsContact O-N 3.12Å; M330-F334 HydrophobicContact SD-CE2 4.06Å; M331-F334 PolarHBondContact O-N 2.91Å; I332-F334 PolarHBondContact O-N 2.77Å; F334-G338 PolarHBondContact O-N 3.46Å; F334-Y415 HydrophobicContact CD1-CD1 4.21Å; F334-Y415 HydrophobicContact CD1-CE1 4.13Å; F334-Y415 AromaticContact CD2-CD1 3.57Å; F334-Y415 HydrophobicContact CD2-CD1 3.57Å; F334-Y415 AromaticContact CD2-CE1 3.68Å; F334-Y415 HydrophobicContact CD2-CE1 3.68Å; F334-Y415 HydrophobicContact CD2-CG 4.13Å; F334-Y415 AromaticContact CE1-CD1 3.88Å; F334-Y415 HydrophobicContact CE1-CD1 3.88Å; F334-Y415 HydrophobicContact CE1-CE1 4.25Å; F334-Y415 AromaticContact CE2-CD1 3.18Å; F334-Y415 HydrophobicContact CE2-CD1 3.18Å; F334-Y415 AromaticContact CE2-CE1 3.81Å; F334-Y415 HydrophobicContact CE2-CE1 3.81Å; F334-Y415 AromaticContact CE2-CG 3.59Å; F334-Y415 HydrophobicContact CE2-CG 3.59Å; F334-Y415 HydrophobicContact CG-CD1 4.08Å; F334-Y415 AromaticContact CG-CE1 3.85Å; F334-Y415 HydrophobicContact CG-CE1 3.85Å; F334-Y415 AromaticContact CZ-CD1 3.36Å; F334-Y415 HydrophobicContact CZ-CD1 3.36Å; F334-Y415 HydrophobicContact CZ-CE1 4.1Å; F334-Y415 HydrophobicContact CZ-CG 4.05Å; F334-I416 HydrophobicContact CE1-CG1 4.12Å; F334-I416 HydrophobicContact CZ-CG1 4.05Å; F334-M420 HydrophobicContact CD1-CE 4.07Å; F334-M420 HydrophobicContact CD1-SD 4.49Å; F334-M420 HydrophobicContact CE1-CE 3.52Å; F334-M420 HydrophobicContact CE1-SD 4.47Å; F334-M420 HydrophobicContact CZ-CE 4.21Å |
| 335 | Q | 92.9 | Very high | 92.2 | Very high | 136 Ų | 136 | 60.7 Ų | 60.7 | 64% | 0.636 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.9 | -42 | 173 | -72 | 175.4 | -2.8 | 0 | 0 | 112.2 | M331 I332 Y333 W339 | M331-Q335 WeakPolarHBondContact O-CG 3.35Å; M331-Q335 PolarHBondContact O-N 3.39Å; M331-Q335 VanDerWaalsContact O-N 3.08Å; I332-Q335 WeakPolarHBondContact O-CB 3.23Å; I332-Q335 PolarHBondContact O-N 3.25Å; Y333-Q335 VanDerWaalsContact C-N 3.27Å; Y333-Q335 PolarHBondContact O-N 3.01Å; Q335-W339 WeakPolarHBondContact O-CB 3.45Å; Q335-W339 PolarHBondContact O-N 3.3Å |
| 336 | M | 91.8 | Very high | 92.1 | Very high | 63 Ų | 63 | 63.6 Ų | 63.6 | 31% | 0.31 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 176.1 | -69.9 | -172.2 | -60.9 | 0 | 0 | 112 | I332 Y333 W339 A340 P359 | I332-M336 HydrophobicContact CG2-CE 4.19Å; I332-M336 HydrophobicContact CG2-CG 4.37Å; I332-M336 HydrophobicContact CG2-SD 4.38Å; I332-M336 WeakPolarHBondContact O-CG 3.45Å; I332-M336 PolarHBondContact O-N 3.19Å; Y333-M336 WeakPolarHBondContact O-CB 3.42Å; Y333-M336 PolarHBondContact O-N 3.44Å; Y333-M336 VanDerWaalsContact O-N 3.1Å; M336-W339 PolarHBondContact O-N 3.26Å; M336-A340 WeakPolarHBondContact O-CB 3.38Å; M336-A340 PolarHBondContact O-N 3.19Å; M336-P359 HydrophobicContact CB-CB 4.1Å; M336-P359 HydrophobicContact CB-CG 4.31Å |
| 337 | E | 89.1 | Confident | 91.9 | Very high | 35 Ų | 35 | 69 Ų | 69 | 16% | 0.164 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.8 | -47.9 | 176.5 | -175.8 | 169.7 | -152.1 | 0 | 0 | 111.3 | Y333 W339 A340 L341 P359 | Y333-E337 WeakPolarHBondContact CE1-OE2 3.39Å; Y333-E337 PolarHBondContact O-N 3.36Å; Y333-E337 PolarHBondContact OH-OE1 2.88Å; Y333-E337 PolarHBondContact OH-OE2 3.15Å; E337-W339 VanDerWaalsContact C-N 3.31Å; E337-W339 PolarHBondContact O-N 2.91Å; E337-A340 PolarHBondContact O-N 2.52Å; E337-L341 HydrophobicContact CG-CD1 4.29Å; E337-L341 WeakPolarHBondContact O-CG 3.23Å; E337-L341 PolarHBondContact O-N 2.96Å; E337-P359 HydrophobicContact CB-CB 4.49Å |
| 338 | G | 89.9 | Confident | 91.6 | Very high | 39 Ų | 39 | 70.9 Ų | 70.9 | 40% | 0.402 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61 | -37.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | F334 S342 | F334-G338 PolarHBondContact O-N 3.46Å; G338-S342 PolarHBondContact O-N 2.77Å |
| 339 | W | 93.6 | Very high | 91.5 | Very high | 149 Ų | 149 | 67.1 Ų | 67.1 | 56% | 0.564 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.9 | -46.4 | 173.2 | 171.2 | 76 | 0 | 0 | 0 | 112 | Q335 M336 E337 L341 S342 V343 L355 | Q335-W339 WeakPolarHBondContact O-CB 3.45Å; Q335-W339 PolarHBondContact O-N 3.3Å; M336-W339 PolarHBondContact O-N 3.26Å; E337-W339 VanDerWaalsContact C-N 3.31Å; E337-W339 PolarHBondContact O-N 2.91Å; W339-L341 VanDerWaalsContact C-N 3.32Å; W339-L341 PolarHBondContact O-N 3.48Å; W339-S342 PolarHBondContact O-N 3.01Å; W339-S342 VanDerWaalsContact O-N 3.16Å; W339-S342 PolarHBondContact O-OG 2.84Å; W339-V343 HydrophobicContact CD2-CG2 4.47Å; W339-V343 HydrophobicContact CZ2-CG2 4.14Å; W339-V343 WeakPolarHBondContact O-CG2 3.47Å; W339-V343 PolarHBondContact O-N 2.82Å; W339-V343 VanDerWaalsContact O-N 3.1Å; W339-L355 HydrophobicContact CH2-CD2 4.35Å; W339-L355 HydrophobicContact CZ3-CD1 4.18Å; W339-L355 HydrophobicContact CZ3-CD2 4.33Å |
| 340 | A | 90.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.008 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | M336 E337 V343 H344 L355 L356 P359 | M336-A340 WeakPolarHBondContact O-CB 3.38Å; M336-A340 PolarHBondContact O-N 3.19Å; E337-A340 PolarHBondContact O-N 2.52Å; A340-V343 PolarHBondContact O-N 2.7Å; A340-H344 PolarHBondContact O-N 3.18Å; A340-H344 VanDerWaalsContact O-N 3.09Å; A340-L355 HydrophobicContact CB-CG 4.17Å; A340-L356 HydrophobicContact CB-CD2 4.41Å; A340-P359 HydrophobicContact CB-CG 3.91Å |
| 341 | L | 89.5 | Confident | 91.1 | Very high | 80 Ų | 80 | 81.7 Ų | 81.7 | 42% | 0.419 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.4 | -47.8 | 172.8 | -75.3 | 163.6 | 0 | 0 | 0 | 111.4 | E337 W339 V343 H344 D345 L356 | E337-L341 HydrophobicContact CG-CD1 4.29Å; E337-L341 WeakPolarHBondContact O-CG 3.23Å; E337-L341 PolarHBondContact O-N 2.96Å; W339-L341 VanDerWaalsContact C-N 3.32Å; W339-L341 PolarHBondContact O-N 3.48Å; L341-V343 PolarHBondContact O-N 3.05Å; L341-H344 PolarHBondContact O-N 3.46Å; L341-D345 PolarHBondContact O-N 3.49Å; L341-L356 HydrophobicContact CB-CD2 4.48Å; L341-L356 HydrophobicContact CD2-CD2 3.69Å; L341-L356 HydrophobicContact CG-CD2 4Å |
| 342 | S | 91.5 | Very high | 90.8 | Very high | 47 Ų | 47 | 79.2 Ų | 79.2 | 33% | 0.329 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.9 | -32.1 | -179.9 | 75.6 | 0 | 0 | 0 | 0 | 113.8 | G338 W339 Q346 | G338-S342 PolarHBondContact O-N 2.77Å; W339-S342 PolarHBondContact O-N 3.01Å; W339-S342 VanDerWaalsContact O-N 3.16Å; W339-S342 PolarHBondContact O-OG 2.84Å; S342-Q346 VanDerWaalsContact O-CG 3.26Å; S342-Q346 WeakPolarHBondContact O-CG 3.46Å; S342-Q346 PolarHBondContact O-N 2.5Å |
| 343 | V | 91.6 | Very high | 90.4 | Very high | 41 Ų | 41 | 77.2 Ų | 77.2 | 25% | 0.248 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -74.7 | -37.6 | 176.1 | 173 | 0 | 0 | 0 | 0 | 111 | W339 A340 L341 D347 T352 L355 | W339-V343 HydrophobicContact CD2-CG2 4.47Å; W339-V343 HydrophobicContact CZ2-CG2 4.14Å; W339-V343 WeakPolarHBondContact O-CG2 3.47Å; W339-V343 PolarHBondContact O-N 2.82Å; W339-V343 VanDerWaalsContact O-N 3.1Å; A340-V343 PolarHBondContact O-N 2.7Å; L341-V343 PolarHBondContact O-N 3.05Å; V343-D347 PolarHBondContact O-N 3.1Å; V343-T352 HydrophobicContact CG1-CG2 3.94Å; V343-L355 HydrophobicContact CB-CD2 4.19Å; V343-L355 HydrophobicContact CG1-CD2 3.92Å |
| 344 | H | 90.4 | Very high | 90.2 | Very high | 49 Ų | 49 | 79.2 Ų | 79.2 | 23% | 0.227 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68 | -40.3 | 176.2 | -175.1 | 63.8 | 0 | 0 | 0 | 112.7 | A340 L341 Q346 D347 P348 T352 G353 L356 | A340-H344 PolarHBondContact O-N 3.18Å; A340-H344 VanDerWaalsContact O-N 3.09Å; L341-H344 PolarHBondContact O-N 3.46Å; H344-Q346 VanDerWaalsContact C-N 3.3Å; H344-Q346 PolarHBondContact O-N 3.2Å; H344-D347 CarbonylContact O-C 3.35Å; H344-P348 WeakPolarHBondContact O-CA 3.35Å; H344-T352 PolarHBondContact ND1-OG1 2.94Å; H344-G353 PolarHBondContact ND1-N 3.2Å; H344-L356 HydrophobicContact CB-CD1 4.36Å; H344-L356 HydrophobicContact CB-CD2 3.91Å; H344-L356 HydrophobicContact CB-CG 4.24Å |
| 345 | D | 91.7 | Very high | 90.1 | Very high | 128 Ų | 128 | 79.9 Ų | 79.9 | 68% | 0.684 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -66.4 | -31.8 | 177.7 | -75.7 | -12.4 | 0 | 0 | 0 | 112.5 | L341 | L341-D345 PolarHBondContact O-N 3.49Å |
| 346 | Q | 92.7 | Very high | 89.7 | Confident | 143 Ų | 143 | 75.6 Ų | 75.6 | 67% | 0.668 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -72.5 | -48.3 | 176.7 | -75.8 | 173.4 | 25.7 | 0 | 0 | 112.2 | S342 H344 | S342-Q346 VanDerWaalsContact O-CG 3.26Å; S342-Q346 WeakPolarHBondContact O-CG 3.46Å; S342-Q346 PolarHBondContact O-N 2.5Å; H344-Q346 VanDerWaalsContact C-N 3.3Å; H344-Q346 PolarHBondContact O-N 3.2Å |
| 347 | D | 89.5 | Confident | 89.3 | Confident | 118 Ų | 118 | 80.4 Ų | 80.4 | 63% | 0.631 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -133.7 | 86.8 | -178.4 | -76.4 | -44.1 | 0 | 0 | 0 | 110.7 | V343 H344 S349 T352 | V343-D347 PolarHBondContact O-N 3.1Å; H344-D347 CarbonylContact O-C 3.35Å; D347-S349 PolarHBondContact O-N 3.39Å; D347-T352 WeakPolarHBondContact O-CG2 3.2Å; D347-T352 PolarHBondContact O-OG1 3.08Å |
| 348 | P | 88.3 | Confident | 89.1 | Confident | 104 Ų | 104 | 82.3 Ų | 82.3 | 68% | 0.675 | 42% | 0.42 | S | S | * | . | trans | -70.1 | 104.5 | 179.9 | 26.9 | -32.9 | 0 | 0 | 0 | 109.6 | H344 | H344-P348 WeakPolarHBondContact O-CA 3.35Š| ||
| 349 | S | 92.3 | Very high | 89.1 | Confident | 55 Ų | 55 | 80.7 Ų | 80.7 | 39% | 0.385 | 40% | 0.402 | S | S | . | . | trans | -136.2 | 164.3 | -179.8 | 71.2 | 0 | 0 | 0 | 0 | 109.7 | D347 W351 T352 G353 | D347-S349 PolarHBondContact O-N 3.39Å; S349-W351 PolarHBondContact O-N 3Å; S349-T352 PolarHBondContact N-OG1 3.19Å; S349-T352 PolarHBondContact O-N 3.29Å; S349-T352 PolarHBondContact O-OG1 3.12Å; S349-T352 VanDerWaalsContact O-OG1 3.06Å; S349-T352 WeakPolarHBondContact OG-CG2 3.48Å; S349-T352 PolarHBondContact OG-N 3.41Å; S349-T352 PolarHBondContact OG-OG1 2.87Å; S349-T352 VanDerWaalsContact OG-OG1 3.12Å; S349-G353 PolarHBondContact O-N 3.32Å | ||
| 350 | F | 88.9 | Confident | 88.6 | Confident | 158 Ų | 158 | 75.8 Ų | 75.8 | 69% | 0.693 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -54.7 | -42.6 | 175.6 | 176.7 | -96.7 | 0 | 0 | 0 | 112.1 | G353 V354 | F350-G353 PolarHBondContact O-N 2.78Å; F350-V354 HydrophobicContact CD1-CG2 4.5Å; F350-V354 HydrophobicContact CE1-CG2 4.04Å; F350-V354 HydrophobicContact CZ-CG2 4.12Å; F350-V354 WeakPolarHBondContact O-CG2 3.48Å; F350-V354 PolarHBondContact O-N 2.94Å |
| 351 | W | 89.3 | Confident | 88.2 | Confident | 200 Ų | 200 | 80.9 Ų | 80.9 | 76% | 0.758 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -69.7 | -36.7 | -179.6 | -67 | 110.1 | 0 | 0 | 0 | 112.9 | S349 G353 V354 L355 | S349-W351 PolarHBondContact O-N 3Å; W351-G353 VanDerWaalsContact C-N 3.33Å; W351-V354 PolarHBondContact O-N 3.12Å; W351-L355 PolarHBondContact O-N 3.43Å |
| 352 | T | 87.6 | Confident | 88.1 | Confident | 16 Ų | 16 | 80.9 Ų | 80.9 | 10% | 0.098 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -72.1 | -28.8 | 174.4 | 58.1 | 0 | 0 | 0 | 0 | 111.9 | V343 H344 D347 S349 L355 L356 | V343-T352 HydrophobicContact CG1-CG2 3.94Å; H344-T352 PolarHBondContact ND1-OG1 2.94Å; D347-T352 WeakPolarHBondContact O-CG2 3.2Å; D347-T352 PolarHBondContact O-OG1 3.08Å; S349-T352 PolarHBondContact N-OG1 3.19Å; S349-T352 PolarHBondContact O-N 3.29Å; S349-T352 PolarHBondContact O-OG1 3.12Å; S349-T352 VanDerWaalsContact O-OG1 3.06Å; S349-T352 WeakPolarHBondContact OG-CG2 3.48Å; S349-T352 PolarHBondContact OG-N 3.41Å; S349-T352 PolarHBondContact OG-OG1 2.87Å; S349-T352 VanDerWaalsContact OG-OG1 3.12Å; T352-L355 WeakPolarHBondContact O-CB 3.29Å; T352-L355 PolarHBondContact O-N 3.44Å; T352-L356 PolarHBondContact O-N 3.17Å |
| 353 | G | 85.6 | Confident | 87.9 | Confident | 20 Ų | 20 | 79.7 Ų | 79.7 | 21% | 0.206 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | H344 S349 F350 W351 L355 L356 Y357 | H344-G353 PolarHBondContact ND1-N 3.2Å; S349-G353 PolarHBondContact O-N 3.32Å; F350-G353 PolarHBondContact O-N 2.78Å; W351-G353 VanDerWaalsContact C-N 3.33Å; G353-L355 VanDerWaalsContact C-N 3.34Å; G353-L356 PolarHBondContact O-N 3.38Å; G353-Y357 WeakPolarHBondContact O-CD2 3.31Å |
| 354 | V | 87.4 | Confident | 87.4 | Confident | 61 Ų | 61 | 80.2 Ų | 80.2 | 37% | 0.37 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.3 | -37.4 | 172.8 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | F350 W351 L356 Y357 | F350-V354 HydrophobicContact CD1-CG2 4.5Å; F350-V354 HydrophobicContact CE1-CG2 4.04Å; F350-V354 HydrophobicContact CZ-CG2 4.12Å; F350-V354 WeakPolarHBondContact O-CG2 3.48Å; F350-V354 PolarHBondContact O-N 2.94Å; W351-V354 PolarHBondContact O-N 3.12Å; V354-L356 PolarHBondContact O-N 3.48Å; V354-Y357 PolarHBondContact O-N 2.93Å |
| 355 | L | 88.8 | Confident | 87.1 | Confident | 34 Ų | 34 | 82.1 Ų | 82.1 | 18% | 0.178 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -57.7 | -33 | 179.3 | -178.2 | 62.9 | 0 | 0 | 0 | 112.8 | W339 A340 V343 W351 T352 G353 Y357 I358 P359 | W339-L355 HydrophobicContact CH2-CD2 4.35Å; W339-L355 HydrophobicContact CZ3-CD1 4.18Å; W339-L355 HydrophobicContact CZ3-CD2 4.33Å; A340-L355 HydrophobicContact CB-CG 4.17Å; V343-L355 HydrophobicContact CB-CD2 4.19Å; V343-L355 HydrophobicContact CG1-CD2 3.92Å; W351-L355 PolarHBondContact O-N 3.43Å; T352-L355 WeakPolarHBondContact O-CB 3.29Å; T352-L355 PolarHBondContact O-N 3.44Å; G353-L355 VanDerWaalsContact C-N 3.34Å; L355-Y357 PolarHBondContact O-N 3.24Å; L355-I358 HydrophobicContact CD1-CD1 4.05Å; L355-I358 PolarHBondContact O-N 3.12Å; L355-I358 VanDerWaalsContact O-N 3.12Å; L355-P359 WeakPolarHBondContact O-CD 3.41Å |
| 356 | L | 85.1 | Confident | 87 | Confident | 47 Ų | 47 | 78.5 Ų | 78.5 | 25% | 0.246 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -31.6 | 178.5 | -65.2 | 177.4 | 0 | 0 | 0 | 113.4 | A340 L341 H344 T352 G353 V354 | A340-L356 HydrophobicContact CB-CD2 4.41Å; L341-L356 HydrophobicContact CB-CD2 4.48Å; L341-L356 HydrophobicContact CD2-CD2 3.69Å; L341-L356 HydrophobicContact CG-CD2 4Å; H344-L356 HydrophobicContact CB-CD1 4.36Å; H344-L356 HydrophobicContact CB-CD2 3.91Å; H344-L356 HydrophobicContact CB-CG 4.24Å; T352-L356 PolarHBondContact O-N 3.17Å; G353-L356 PolarHBondContact O-N 3.38Å; V354-L356 PolarHBondContact O-N 3.48Å |
| 357 | Y | 83.1 | Confident | 86.8 | Confident | 164 Ų | 164 | 72.9 Ų | 72.9 | 64% | 0.643 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -17.8 | -179.8 | -61.1 | -77.5 | 0 | 0 | 0 | 113.3 | G353 V354 L355 S360 I361 | G353-Y357 WeakPolarHBondContact O-CD2 3.31Å; V354-Y357 PolarHBondContact O-N 2.93Å; L355-Y357 PolarHBondContact O-N 3.24Å; Y357-S360 PolarHBondContact O-N 3.2Å; Y357-I361 VanDerWaalsContact O-CG1 3.32Å; Y357-I361 WeakPolarHBondContact O-CG1 3.28Å; Y357-I361 PolarHBondContact O-N 2.78Å; Y357-I361 VanDerWaalsContact O-N 3.15Å |
| 358 | I | 85.2 | Confident | 86.5 | Confident | 74 Ų | 74 | 73.5 Ų | 73.5 | 38% | 0.379 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.4 | -48.7 | -173.4 | -65.9 | -179.4 | 0 | 0 | 0 | 112.2 | L355 S360 I361 I362 | L355-I358 HydrophobicContact CD1-CD1 4.05Å; L355-I358 PolarHBondContact O-N 3.12Å; L355-I358 VanDerWaalsContact O-N 3.12Å; I358-S360 VanDerWaalsContact C-N 3.31Å; I358-S360 PolarHBondContact O-N 2.86Å; I358-I361 PolarHBondContact O-N 3.35Å; I358-I362 HydrophobicContact CG2-CD1 3.6Å; I358-I362 HydrophobicContact CG2-CG1 4.22Å; I358-I362 WeakPolarHBondContact O-CG1 3.48Å; I358-I362 PolarHBondContact O-N 2.85Å |
| 359 | P | 88 | Confident | 86.5 | Confident | 6 Ų | 6 | 72.5 Ų | 72.5 | 4% | 0.039 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -55.7 | -43.4 | 178.1 | -27.7 | 35.5 | 0 | 0 | 0 | 113.2 | Y333 M336 E337 A340 L355 I362 Y363 | Y333-P359 HydrophobicContact CD2-CB 4.46Å; Y333-P359 HydrophobicContact CE2-CB 4.4Å; M336-P359 HydrophobicContact CB-CB 4.1Å; M336-P359 HydrophobicContact CB-CG 4.31Å; E337-P359 HydrophobicContact CB-CB 4.49Å; A340-P359 HydrophobicContact CB-CG 3.91Å; L355-P359 WeakPolarHBondContact O-CD 3.41Å; P359-I362 PolarHBondContact O-N 3.28Å; P359-Y363 VanDerWaalsContact O-CB 3.32Å; P359-Y363 WeakPolarHBondContact O-CB 3.4Å; P359-Y363 PolarHBondContact O-N 3.5Å |
| 360 | S | 83.6 | Confident | 86.4 | Confident | 46 Ų | 46 | 71.8 Ų | 71.8 | 32% | 0.322 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.1 | -39.7 | -179.8 | -45.7 | 0 | 0 | 0 | 0 | 112.2 | Y357 I358 Y363 A364 | Y357-S360 PolarHBondContact O-N 3.2Å; I358-S360 VanDerWaalsContact C-N 3.31Å; I358-S360 PolarHBondContact O-N 2.86Å; S360-Y363 PolarHBondContact O-N 3.01Å; S360-A364 WeakPolarHBondContact O-CB 3.43Å; S360-A364 PolarHBondContact O-N 3.24Å |
| 361 | I | 83.1 | Confident | 86.4 | Confident | 108 Ų | 108 | 65.4 Ų | 65.4 | 55% | 0.554 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.6 | -45.3 | 174.7 | -66.4 | 166.2 | 0 | 0 | 0 | 110.7 | Y357 I358 Y363 A364 V365 | Y357-I361 VanDerWaalsContact O-CG1 3.32Å; Y357-I361 WeakPolarHBondContact O-CG1 3.28Å; Y357-I361 PolarHBondContact O-N 2.78Å; Y357-I361 VanDerWaalsContact O-N 3.15Å; I358-I361 PolarHBondContact O-N 3.35Å; I361-Y363 VanDerWaalsContact C-N 3.34Å; I361-Y363 PolarHBondContact O-N 3.44Å; I361-A364 PolarHBondContact O-N 3.23Å; I361-V365 WeakPolarHBondContact O-CG2 3.19Å; I361-V365 PolarHBondContact O-N 2.8Å; I361-V365 VanDerWaalsContact O-N 3.12Å |
| 362 | I | 86.8 | Confident | 86.4 | Confident | 80 Ų | 80 | 61.9 Ų | 61.9 | 41% | 0.41 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 177.2 | -68.9 | 171.3 | 0 | 0 | 0 | 110 | I358 P359 A364 V365 V366 | I358-I362 HydrophobicContact CG2-CD1 3.6Å; I358-I362 HydrophobicContact CG2-CG1 4.22Å; I358-I362 WeakPolarHBondContact O-CG1 3.48Å; I358-I362 PolarHBondContact O-N 2.85Å; P359-I362 PolarHBondContact O-N 3.28Å; I362-A364 PolarHBondContact O-N 3.07Å; I362-V365 PolarHBondContact O-N 3.45Å; I362-V366 HydrophobicContact CG2-CG2 4.28Å; I362-V366 WeakPolarHBondContact O-CG2 3.17Å; I362-V366 PolarHBondContact O-N 3.09Å |
| 363 | Y | 86.3 | Confident | 86.7 | Confident | 21 Ų | 21 | 65.5 Ų | 65.5 | 8% | 0.082 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.2 | -44.4 | -179.8 | -177.8 | -125.1 | 0 | 0 | 0 | 111.9 | V329 Y333 P359 S360 I361 V365 V366 I367 | V329-Y363 HydrophobicContact CG1-CE2 4.35Å; Y333-Y363 AromaticContact CD1-CD1 3.99Å; Y333-Y363 HydrophobicContact CD1-CD1 3.99Å; Y333-Y363 HydrophobicContact CD1-CE1 4.09Å; Y333-Y363 HydrophobicContact CD1-CG 4.28Å; Y333-Y363 VanDerWaalsContact CD2-CB 3.42Å; Y333-Y363 AromaticContact CD2-CD1 3.84Å; Y333-Y363 HydrophobicContact CD2-CD1 3.84Å; Y333-Y363 HydrophobicContact CD2-CD2 4.29Å; Y333-Y363 AromaticContact CD2-CG 3.6Å; Y333-Y363 HydrophobicContact CD2-CG 3.6Å; Y333-Y363 HydrophobicContact CE1-CD1 4.26Å; Y333-Y363 HydrophobicContact CE1-CE1 4.44Å; Y333-Y363 HydrophobicContact CE2-CD1 4.09Å; Y333-Y363 HydrophobicContact CE2-CG 4.24Å; Y333-Y363 AromaticContact CG-CD1 3.77Å; Y333-Y363 HydrophobicContact CG-CD1 3.77Å; Y333-Y363 AromaticContact CG-CD2 3.91Å; Y333-Y363 HydrophobicContact CG-CD2 3.91Å; Y333-Y363 HydrophobicContact CG-CE1 4.24Å; Y333-Y363 HydrophobicContact CG-CE2 4.37Å; Y333-Y363 AromaticContact CG-CG 3.6Å; Y333-Y363 HydrophobicContact CG-CG 3.6Å; P359-Y363 VanDerWaalsContact O-CB 3.32Å; P359-Y363 WeakPolarHBondContact O-CB 3.4Å; P359-Y363 PolarHBondContact O-N 3.5Å; S360-Y363 PolarHBondContact O-N 3.01Å; I361-Y363 VanDerWaalsContact C-N 3.34Å; I361-Y363 PolarHBondContact O-N 3.44Å; Y363-V365 VanDerWaalsContact C-N 3.33Å; Y363-V365 PolarHBondContact O-N 2.79Å; Y363-V366 PolarHBondContact O-N 2.96Å; Y363-V366 VanDerWaalsContact O-N 3.17Å; Y363-I367 HydrophobicContact CD1-CD1 3.9Å; Y363-I367 HydrophobicContact CD2-CD1 4.34Å; Y363-I367 HydrophobicContact CD2-CG1 4.3Å; Y363-I367 HydrophobicContact CE1-CD1 3.49Å; Y363-I367 VanDerWaalsContact CE1-CD1 3.49Å; Y363-I367 HydrophobicContact CE1-CG1 4.38Å; Y363-I367 HydrophobicContact CE2-CD1 3.98Å; Y363-I367 HydrophobicContact CE2-CG1 3.97Å; Y363-I367 HydrophobicContact CG-CD1 4.29Å; Y363-I367 WeakPolarHBondContact O-CG1 3.36Å; Y363-I367 PolarHBondContact O-N 2.82Å |
| 364 | A | 82.2 | Confident | 87.2 | Confident | 52 Ų | 52 | 65 Ų | 65 | 43% | 0.43 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.5 | -44.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S360 I361 I362 I367 E368 | S360-A364 WeakPolarHBondContact O-CB 3.43Å; S360-A364 PolarHBondContact O-N 3.24Å; I361-A364 PolarHBondContact O-N 3.23Å; I362-A364 PolarHBondContact O-N 3.07Å; A364-I367 PolarHBondContact O-N 3.07Å; A364-E368 PolarHBondContact O-N 3.41Å |
| 365 | V | 84.7 | Confident | 87.4 | Confident | 89 Ų | 89 | 64.7 Ų | 64.7 | 54% | 0.539 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 176.7 | 174 | 0 | 0 | 0 | 0 | 111.6 | I361 I362 Y363 E368 V369 | I361-V365 WeakPolarHBondContact O-CG2 3.19Å; I361-V365 PolarHBondContact O-N 2.8Å; I361-V365 VanDerWaalsContact O-N 3.12Å; I362-V365 PolarHBondContact O-N 3.45Å; Y363-V365 VanDerWaalsContact C-N 3.33Å; Y363-V365 PolarHBondContact O-N 2.79Å; V365-E368 PolarHBondContact O-N 2.91Å; V365-V369 WeakPolarHBondContact O-CG2 3.31Å; V365-V369 PolarHBondContact O-N 3.46Å; V365-V369 VanDerWaalsContact O-N 3.14Å |
| 366 | V | 89.3 | Confident | 87.6 | Confident | 52 Ų | 52 | 71.2 Ų | 71.2 | 32% | 0.315 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 178.8 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | V329 I362 Y363 E368 V369 M370 | V329-V366 HydrophobicContact CG1-CG1 3.82Å; I362-V366 HydrophobicContact CG2-CG2 4.28Å; I362-V366 WeakPolarHBondContact O-CG2 3.17Å; I362-V366 PolarHBondContact O-N 3.09Å; Y363-V366 PolarHBondContact O-N 2.96Å; Y363-V366 VanDerWaalsContact O-N 3.17Å; V366-E368 PolarHBondContact O-N 3.33Å; V366-V369 PolarHBondContact O-N 2.97Å; V366-M370 HydrophobicContact CG1-CG 4.16Å; V366-M370 HydrophobicContact CG1-SD 3.86Å; V366-M370 WeakPolarHBondContact O-CB 3.48Å; V366-M370 VanDerWaalsContact O-CG 3.29Å; V366-M370 WeakPolarHBondContact O-CG 3.24Å; V366-M370 PolarHBondContact O-N 3.4Å |
| 367 | I | 86.9 | Confident | 88.1 | Confident | 26 Ų | 26 | 70.1 Ų | 70.1 | 13% | 0.133 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58 | -48.6 | 176.8 | -69.4 | 169.9 | 0 | 0 | 0 | 110.9 | Y363 A364 V369 M370 N371 N408 | Y363-I367 HydrophobicContact CD1-CD1 3.9Å; Y363-I367 HydrophobicContact CD2-CD1 4.34Å; Y363-I367 HydrophobicContact CD2-CG1 4.3Å; Y363-I367 HydrophobicContact CE1-CD1 3.49Å; Y363-I367 VanDerWaalsContact CE1-CD1 3.49Å; Y363-I367 HydrophobicContact CE1-CG1 4.38Å; Y363-I367 HydrophobicContact CE2-CD1 3.98Å; Y363-I367 HydrophobicContact CE2-CG1 3.97Å; Y363-I367 HydrophobicContact CG-CD1 4.29Å; Y363-I367 WeakPolarHBondContact O-CG1 3.36Å; Y363-I367 PolarHBondContact O-N 2.82Å; A364-I367 PolarHBondContact O-N 3.07Å; I367-V369 VanDerWaalsContact C-N 3.34Å; I367-V369 PolarHBondContact O-N 3.2Å; I367-M370 PolarHBondContact O-N 2.87Å; I367-M370 VanDerWaalsContact O-N 3.17Å; I367-N371 WeakPolarHBondContact O-CB 3.3Å; I367-N371 VanDerWaalsContact O-CG 3.22Å; I367-N371 PolarHBondContact O-N 2.56Å; I367-N371 PolarHBondContact O-OD1 2.86Å; I367-N408 HydrophobicContact CG2-CB 4.23Å |
| 368 | E | 83.3 | Confident | 88.7 | Confident | 130 Ų | 130 | 62.3 Ų | 62.3 | 61% | 0.607 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.5 | -43.1 | 179.5 | -71.9 | -56 | 139.1 | 0 | 0 | 112.3 | A364 V365 V366 M370 N371 L372 | A364-E368 PolarHBondContact O-N 3.41Å; V365-E368 PolarHBondContact O-N 2.91Å; V366-E368 PolarHBondContact O-N 3.33Å; E368-M370 PolarHBondContact O-N 3.5Å; E368-N371 PolarHBondContact O-N 2.82Å; E368-L372 PolarHBondContact O-N 2.78Å; E368-L372 VanDerWaalsContact O-N 3.07Å |
| 369 | V | 88.4 | Confident | 89.1 | Confident | 83 Ų | 83 | 62 Ų | 62 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 175.7 | 173.5 | 0 | 0 | 0 | 0 | 111 | V365 V366 I367 L372 V373 | V365-V369 WeakPolarHBondContact O-CG2 3.31Å; V365-V369 PolarHBondContact O-N 3.46Å; V365-V369 VanDerWaalsContact O-N 3.14Å; V366-V369 PolarHBondContact O-N 2.97Å; I367-V369 VanDerWaalsContact C-N 3.34Å; I367-V369 PolarHBondContact O-N 3.2Å; V369-L372 PolarHBondContact O-N 2.89Å; V369-V373 HydrophobicContact CG1-CG2 4.4Å; V369-V373 VanDerWaalsContact O-CG2 3.31Å; V369-V373 WeakPolarHBondContact O-CG2 3.26Å; V369-V373 PolarHBondContact O-N 2.95Å |
| 370 | M | 91.2 | Very high | 89.5 | Confident | 40 Ų | 40 | 68.3 Ų | 68.3 | 20% | 0.197 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 177.9 | -75.9 | -176 | 63.7 | 0 | 0 | 112.1 | V329 V366 I367 E368 L372 V373 Y374 F404 | V329-M370 HydrophobicContact CB-SD 4.3Å; V329-M370 HydrophobicContact CG1-SD 4.14Å; V329-M370 HydrophobicContact CG2-CE 4.48Å; V329-M370 HydrophobicContact CG2-SD 4.05Å; V366-M370 HydrophobicContact CG1-CG 4.16Å; V366-M370 HydrophobicContact CG1-SD 3.86Å; V366-M370 WeakPolarHBondContact O-CB 3.48Å; V366-M370 VanDerWaalsContact O-CG 3.29Å; V366-M370 WeakPolarHBondContact O-CG 3.24Å; V366-M370 PolarHBondContact O-N 3.4Å; I367-M370 PolarHBondContact O-N 2.87Å; I367-M370 VanDerWaalsContact O-N 3.17Å; E368-M370 PolarHBondContact O-N 3.5Å; M370-L372 VanDerWaalsContact C-N 3.34Å; M370-L372 PolarHBondContact O-N 3.16Å; M370-V373 PolarHBondContact O-N 3.06Å; M370-Y374 VanDerWaalsContact O-CB 3.23Å; M370-Y374 WeakPolarHBondContact O-CB 3.38Å; M370-Y374 PolarHBondContact O-N 3.17Å; M370-F404 HydrophobicContact CB-CE1 4.43Å; M370-F404 HydrophobicContact CB-CZ 4.19Å; M370-F404 HydrophobicContact CE-CE2 4.48Å; M370-F404 HydrophobicContact CE-CZ 4Å |
| 371 | N | 89.6 | Confident | 90.1 | Very high | 25 Ų | 25 | 66.8 Ų | 66.8 | 13% | 0.134 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.9 | -45.4 | 176.1 | -69.6 | -12.9 | 0 | 0 | 0 | 111.1 | I367 E368 R375 N405 N408 | I367-N371 WeakPolarHBondContact O-CB 3.3Å; I367-N371 VanDerWaalsContact O-CG 3.22Å; I367-N371 PolarHBondContact O-N 2.56Å; I367-N371 PolarHBondContact O-OD1 2.86Å; E368-N371 PolarHBondContact O-N 2.82Å; N371-R375 WeakPolarHBondContact O-CB 3.44Å; N371-R375 PolarHBondContact O-N 3.45Å; N371-N405 PolarHBondContact OD1-OD1 3.05Å; N371-N408 PolarHBondContact OD1-ND2 2.9Å |
| 372 | L | 88.7 | Confident | 90.6 | Very high | 125 Ų | 125 | 61.6 Ų | 61.6 | 65% | 0.654 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.1 | -49.1 | 178 | -178 | 65.9 | 0 | 0 | 0 | 112.3 | E368 V369 M370 Y374 R375 Y376 | E368-L372 PolarHBondContact O-N 2.78Å; E368-L372 VanDerWaalsContact O-N 3.07Å; V369-L372 PolarHBondContact O-N 2.89Å; M370-L372 VanDerWaalsContact C-N 3.34Å; M370-L372 PolarHBondContact O-N 3.16Å; L372-Y374 VanDerWaalsContact C-N 3.34Å; L372-Y374 PolarHBondContact O-N 3.06Å; L372-R375 PolarHBondContact O-N 3.32Å; L372-Y376 PolarHBondContact O-N 3.43Å |
| 373 | V | 93.9 | Very high | 90.9 | Very high | 93 Ų | 93 | 60.3 Ų | 60.3 | 56% | 0.564 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.2 | -43 | 180 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | V369 M370 Y376 A377 | V369-V373 HydrophobicContact CG1-CG2 4.4Å; V369-V373 VanDerWaalsContact O-CG2 3.31Å; V369-V373 WeakPolarHBondContact O-CG2 3.26Å; V369-V373 PolarHBondContact O-N 2.95Å; M370-V373 PolarHBondContact O-N 3.06Å; V373-Y376 PolarHBondContact O-N 3.03Å; V373-A377 PolarHBondContact O-N 3.07Å; V373-A377 VanDerWaalsContact O-N 3.13Å |
| 374 | Y | 95.4 | Very high | 91.3 | Very high | 8 Ų | 8 | 64 Ų | 64 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.1 | -39 | 179.1 | -178.5 | -92.4 | 0 | 0 | 0 | 112.2 | F318 V319 C322 M370 L372 Y376 A377 A378 K400 V401 F404 | F318-Y374 HydrophobicContact CE1-CE2 4.37Å; V319-Y374 WeakPolarHBondContact CG2-OH 3.17Å; C322-Y374 HydrophobicContact CB-CD2 3.83Å; C322-Y374 HydrophobicContact CB-CE2 3.67Å; M370-Y374 VanDerWaalsContact O-CB 3.23Å; M370-Y374 WeakPolarHBondContact O-CB 3.38Å; M370-Y374 PolarHBondContact O-N 3.17Å; L372-Y374 VanDerWaalsContact C-N 3.34Å; L372-Y374 PolarHBondContact O-N 3.06Å; Y374-Y376 VanDerWaalsContact C-N 3.35Å; Y374-Y376 PolarHBondContact O-N 3.34Å; Y374-A377 PolarHBondContact O-N 3.42Å; Y374-A378 HydrophobicContact CD1-CB 4.41Å; Y374-A378 HydrophobicContact CE1-CB 4.09Å; Y374-A378 WeakPolarHBondContact O-CB 3.49Å; Y374-A378 PolarHBondContact O-N 3.11Å; Y374-K400 VanDerWaalsContact CE1-O 3.23Å; Y374-K400 WeakPolarHBondContact CE1-O 3.39Å; Y374-K400 PolarHBondContact OH-O 2.94Å; Y374-V401 HydrophobicContact CE1-CG2 4.45Å; Y374-F404 HydrophobicContact CD1-CB 3.59Å; Y374-F404 AromaticContact CD1-CD1 3.43Å; Y374-F404 HydrophobicContact CD1-CD1 3.43Å; Y374-F404 VanDerWaalsContact CD1-CD1 3.43Å; Y374-F404 HydrophobicContact CD1-CD2 4.25Å; Y374-F404 HydrophobicContact CD1-CE1 4.1Å; Y374-F404 AromaticContact CD1-CG 3.49Å; Y374-F404 HydrophobicContact CD1-CG 3.49Å; Y374-F404 VanDerWaalsContact CD1-CG 3.49Å; Y374-F404 HydrophobicContact CD2-CB 4.42Å; Y374-F404 HydrophobicContact CD2-CD1 4.17Å; Y374-F404 AromaticContact CD2-CD2 3.74Å; Y374-F404 HydrophobicContact CD2-CD2 3.74Å; Y374-F404 HydrophobicContact CD2-CE1 4.31Å; Y374-F404 AromaticContact CD2-CE2 3.95Å; Y374-F404 HydrophobicContact CD2-CE2 3.95Å; Y374-F404 AromaticContact CD2-CG 3.85Å; Y374-F404 HydrophobicContact CD2-CG 3.85Å; Y374-F404 HydrophobicContact CD2-CZ 4.22Å; Y374-F404 HydrophobicContact CE1-CB 3.28Å; Y374-F404 HydrophobicContact CE1-CD1 4.09Å; Y374-F404 HydrophobicContact CE1-CD2 4.38Å; Y374-F404 AromaticContact CE1-CG 3.69Å; Y374-F404 HydrophobicContact CE1-CG 3.69Å; Y374-F404 HydrophobicContact CE2-CB 4.16Å; Y374-F404 AromaticContact CE2-CD2 3.88Å; Y374-F404 HydrophobicContact CE2-CD2 3.88Å; Y374-F404 HydrophobicContact CE2-CE2 4.46Å; Y374-F404 HydrophobicContact CE2-CG 4.02Å; Y374-F404 HydrophobicContact CG-CB 4.14Å; Y374-F404 AromaticContact CG-CD1 3.46Å; Y374-F404 HydrophobicContact CG-CD1 3.46Å; Y374-F404 VanDerWaalsContact CG-CD1 3.46Å; Y374-F404 AromaticContact CG-CD2 3.91Å; Y374-F404 HydrophobicContact CG-CD2 3.91Å; Y374-F404 AromaticContact CG-CE1 3.67Å; Y374-F404 HydrophobicContact CG-CE1 3.67Å; Y374-F404 HydrophobicContact CG-CE2 4.14Å; Y374-F404 AromaticContact CG-CG 3.56Å; Y374-F404 HydrophobicContact CG-CG 3.56Å; Y374-F404 HydrophobicContact CG-CZ 4.01Å; Y374-F404 AromaticContact CZ-CG 3.91Å |
| 375 | R | 91.7 | Very high | 91.9 | Very high | 55 Ų | 55 | 61.5 Ų | 61.5 | 21% | 0.208 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.2 | -47.9 | 175.4 | -177.4 | 175.1 | -178.9 | 167.7 | 7.9 | 111.5 | N371 L372 A377 A378 E379 D495 | N371-R375 WeakPolarHBondContact O-CB 3.44Å; N371-R375 PolarHBondContact O-N 3.45Å; L372-R375 PolarHBondContact O-N 3.32Å; R375-A377 VanDerWaalsContact C-N 3.32Å; R375-A377 PolarHBondContact O-N 2.85Å; R375-A378 PolarHBondContact O-N 3.37Å; R375-E379 IonicContact NE-OE1 2.84Å; R375-E379 PolarHBondContact NE-OE1 3.21Å; R375-E379 WeakPolarHBondContact O-CG 3.41Å; R375-E379 PolarHBondContact O-N 2.92Å; R375-D495 IonicContact CZ-OD1 2.96Å; R375-D495 IonicContact CZ-OD2 3.88Å; R375-D495 IonicContact NH1-OD1 2.74Å; R375-D495 PolarHBondContact NH1-OD1 3.13Å; R375-D495 IonicContact NH1-OD2 2.96Å; R375-D495 PolarHBondContact NH1-OD2 3.31Å; R375-D495 IonicContact NH2-OD1 3.98Å; R375-D495 IonicContact NH2-OD2 2.93Å; R375-D495 PolarHBondContact NH2-OD2 3.03Å |
| 376 | Y | 93.7 | Very high | 92.4 | Very high | 171 Ų | 171 | 57.3 Ų | 57.3 | 67% | 0.671 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -59.8 | -43 | 176.8 | -177.1 | -97.9 | 0 | 0 | 0 | 112.1 | L372 V373 Y374 F380 | L372-Y376 PolarHBondContact O-N 3.43Å; V373-Y376 PolarHBondContact O-N 3.03Å; Y374-Y376 VanDerWaalsContact C-N 3.35Å; Y374-Y376 PolarHBondContact O-N 3.34Å; Y376-F380 WeakPolarHBondContact O-CB 3.3Å; Y376-F380 PolarHBondContact O-N 2.9Å; Y376-F380 VanDerWaalsContact O-N 3.08Å |
| 377 | A | 95.8 | Very high | 92.6 | Very high | 24 Ų | 24 | 54.9 Ų | 54.9 | 20% | 0.198 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F318 V373 Y374 R375 F380 L381 | F318-A377 HydrophobicContact CE1-CB 3.97Å; F318-A377 HydrophobicContact CZ-CB 3.79Å; V373-A377 PolarHBondContact O-N 3.07Å; V373-A377 VanDerWaalsContact O-N 3.13Å; Y374-A377 PolarHBondContact O-N 3.42Å; R375-A377 VanDerWaalsContact C-N 3.32Å; R375-A377 PolarHBondContact O-N 2.85Å; A377-F380 PolarHBondContact O-N 2.71Å; A377-L381 WeakPolarHBondContact O-CB 3.21Å; A377-L381 PolarHBondContact O-N 3Å |
| 378 | A | 95.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y374 R375 T382 L397 K400 V401 | Y374-A378 HydrophobicContact CD1-CB 4.41Å; Y374-A378 HydrophobicContact CE1-CB 4.09Å; Y374-A378 WeakPolarHBondContact O-CB 3.49Å; Y374-A378 PolarHBondContact O-N 3.11Å; R375-A378 PolarHBondContact O-N 3.37Å; A378-T382 VanDerWaalsContact O-CB 3.29Å; A378-T382 WeakPolarHBondContact O-CB 3.41Å; A378-T382 PolarHBondContact O-N 3.38Å; A378-T382 PolarHBondContact O-OG1 3.41Å; A378-L397 HydrophobicContact CB-CD1 3.95Å; A378-K400 HydrophobicContact CB-CB 4.25Å; A378-K400 HydrophobicContact CB-CD 4.46Å; A378-V401 HydrophobicContact CB-CG2 3.79Å |
| 379 | E | 93.4 | Very high | 93 | Very high | 68 Ų | 68 | 51.3 Ų | 51.3 | 32% | 0.318 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.9 | -49.7 | 173.5 | -74.8 | 175.2 | -169 | 0 | 0 | 111.1 | R375 L381 T382 E383 L397 | R375-E379 IonicContact NE-OE1 2.84Å; R375-E379 PolarHBondContact NE-OE1 3.21Å; R375-E379 WeakPolarHBondContact O-CG 3.41Å; R375-E379 PolarHBondContact O-N 2.92Å; E379-L381 VanDerWaalsContact C-N 3.35Å; E379-L381 PolarHBondContact O-N 3.43Å; E379-T382 PolarHBondContact O-N 3.09Å; E379-E383 WeakPolarHBondContact O-CB 3.13Å; E379-E383 PolarHBondContact O-N 3.39Å; E379-L397 HydrophobicContact CB-CD1 4.45Å; E379-L397 HydrophobicContact CG-CD1 3.84Å; E379-L397 HydrophobicContact CG-CD2 3.93Å |
| 380 | F | 94.8 | Very high | 92.8 | Very high | 138 Ų | 138 | 51.3 Ų | 51.3 | 61% | 0.605 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -58 | -46.9 | 177.3 | 174.8 | -97.8 | 0 | 0 | 0 | 112.2 | Y376 A377 E383 W384 | Y376-F380 WeakPolarHBondContact O-CB 3.3Å; Y376-F380 PolarHBondContact O-N 2.9Å; Y376-F380 VanDerWaalsContact O-N 3.08Å; A377-F380 PolarHBondContact O-N 2.71Å; F380-E383 PolarHBondContact O-N 2.84Å; F380-W384 WeakPolarHBondContact O-CB 3.43Å; F380-W384 PolarHBondContact O-N 3.31Å |
| 381 | L | 96.1 | Very high | 92.5 | Very high | 13 Ų | 13 | 51.2 Ų | 51.2 | 7% | 0.068 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.6 | -41.3 | -179.2 | -177 | 59 | 0 | 0 | 0 | 111.8 | V314 S315 F318 A377 E379 W384 E385 | V314-L381 HydrophobicContact CG1-CD1 4.31Å; S315-L381 VanDerWaalsContact OG-CD2 3.3Å; S315-L381 WeakPolarHBondContact OG-CD2 3.38Å; S315-L381 WeakPolarHBondContact OG-CG 3.22Å; F318-L381 HydrophobicContact CB-CD2 4.37Å; F318-L381 HydrophobicContact CD1-CD2 3.64Å; F318-L381 HydrophobicContact CE1-CD2 4.33Å; F318-L381 HydrophobicContact CG-CD2 4.25Å; A377-L381 WeakPolarHBondContact O-CB 3.21Å; A377-L381 PolarHBondContact O-N 3Å; E379-L381 VanDerWaalsContact C-N 3.35Å; E379-L381 PolarHBondContact O-N 3.43Å; L381-W384 HydrophobicContact CD1-CE3 4.31Å; L381-W384 WeakPolarHBondContact O-CB 3.43Å; L381-W384 PolarHBondContact O-N 2.84Å; L381-E385 WeakPolarHBondContact O-CG 3.41Å; L381-E385 PolarHBondContact O-N 3.43Å |
| 382 | T | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.8 | -33.5 | 179.1 | -50.2 | 0 | 0 | 0 | 0 | 111.7 | A378 E379 W384 E385 Y393 H396 L397 K400 | A378-T382 VanDerWaalsContact O-CB 3.29Å; A378-T382 WeakPolarHBondContact O-CB 3.41Å; A378-T382 PolarHBondContact O-N 3.38Å; A378-T382 PolarHBondContact O-OG1 3.41Å; E379-T382 PolarHBondContact O-N 3.09Å; T382-W384 VanDerWaalsContact C-N 3.32Å; T382-E385 WeakPolarHBondContact O-CB 3.24Å; T382-E385 PolarHBondContact O-N 2.83Å; T382-Y393 HydrophobicContact CG2-CD2 3.62Å; T382-Y393 HydrophobicContact CG2-CE2 3.71Å; T382-Y393 HydrophobicContact CG2-CG 4.36Å; T382-H396 HydrophobicContact CG2-CB 4.07Å; T382-L397 HydrophobicContact CG2-CB 4.17Å; T382-K400 PolarHBondContact OG1-NZ 3.42Å |
| 383 | E | 93.1 | Very high | 92.6 | Very high | 52 Ų | 52 | 46.9 Ų | 46.9 | 24% | 0.243 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.2 | -40.9 | 170.9 | -173.9 | 69 | -160.7 | 0 | 0 | 110.2 | R156 R282 E379 F380 E385 N386 Y393 | R156-E383 IonicContact CZ-OE1 3.14Å; R156-E383 IonicContact NH2-OE1 3.34Å; R156-E383 PolarHBondContact NH2-OE1 3.34Å; R156-E383 IonicContact NH2-OE2 3.04Å; R282-E383 IonicContact CZ-OE1 3.46Å; R282-E383 IonicContact CZ-OE2 3.72Å; R282-E383 VanDerWaalsContact CZ-OE2 3.27Å; R282-E383 IonicContact NH1-OE1 3.28Å; R282-E383 IonicContact NH1-OE2 3.3Å; R282-E383 PolarHBondContact NH1-OE2 2.84Å; R282-E383 IonicContact NH2-OE1 2.78Å; R282-E383 PolarHBondContact NH2-OE1 2.84Å; R282-E383 IonicContact NH2-OE2 3.33Å; R282-E383 PolarHBondContact NH2-OE2 2.88Å; E379-E383 WeakPolarHBondContact O-CB 3.13Å; E379-E383 PolarHBondContact O-N 3.39Å; F380-E383 PolarHBondContact O-N 2.84Å; E383-E385 VanDerWaalsContact C-N 3.33Å; E383-E385 PolarHBondContact O-N 3.42Å; E383-N386 PolarHBondContact O-N 2.89Å; E383-N386 VanDerWaalsContact O-N 3.17Å; E383-Y393 HydrophobicContact CB-CE2 4.41Å |
| 384 | W | 94 | Very high | 92.3 | Very high | 99 Ų | 99 | 45.8 Ų | 45.8 | 38% | 0.375 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.4 | -27.9 | 176.7 | -177 | 84.9 | 0 | 0 | 0 | 113.9 | R310 V314 F380 L381 T382 N386 | R310-W384 HydrophobicContact CB-CE3 4.06Å; R310-W384 HydrophobicContact CB-CH2 3.84Å; R310-W384 HydrophobicContact CB-CZ3 3.38Å; R310-W384 HydrophobicContact CG-CE3 4.16Å; R310-W384 HydrophobicContact CG-CH2 3.4Å; R310-W384 HydrophobicContact CG-CZ2 4.04Å; R310-W384 HydrophobicContact CG-CZ3 3.47Å; R310-W384 VanDerWaalsContact CG-CZ3 3.47Å; R310-W384 PolarHBondContact NH1-O 2.97Å; V314-W384 HydrophobicContact CB-CH2 4.25Å; V314-W384 HydrophobicContact CB-CZ3 3.98Å; V314-W384 HydrophobicContact CG1-CH2 4.4Å; V314-W384 HydrophobicContact CG1-CZ3 4.12Å; V314-W384 HydrophobicContact CG2-CH2 3.94Å; V314-W384 HydrophobicContact CG2-CZ3 4.18Å; F380-W384 WeakPolarHBondContact O-CB 3.43Å; F380-W384 PolarHBondContact O-N 3.31Å; L381-W384 HydrophobicContact CD1-CE3 4.31Å; L381-W384 WeakPolarHBondContact O-CB 3.43Å; L381-W384 PolarHBondContact O-N 2.84Å; T382-W384 VanDerWaalsContact C-N 3.32Å; W384-N386 PolarHBondContact O-N 3.36Å |
| 385 | E | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -20.3 | 172.9 | -72.8 | 165.2 | -167.8 | 0 | 0 | 112.9 | R307 I311 S315 L381 T382 E383 H387 K400 | R307-E385 WeakPolarHBondContact CG-O 2.97Å; I311-E385 HydrophobicContact CG1-CB 4.39Å; I311-E385 HydrophobicContact CG1-CG 3.82Å; S315-E385 WeakPolarHBondContact CB-OE1 3.21Å; S315-E385 PolarHBondContact OG-OE1 3.35Å; L381-E385 WeakPolarHBondContact O-CG 3.41Å; L381-E385 PolarHBondContact O-N 3.43Å; T382-E385 WeakPolarHBondContact O-CB 3.24Å; T382-E385 PolarHBondContact O-N 2.83Å; E383-E385 VanDerWaalsContact C-N 3.33Å; E383-E385 PolarHBondContact O-N 3.42Å; E385-H387 IonicContact OE2-CD2 3.33Å; E385-H387 IonicContact OE2-CE1 3.76Å; E385-H387 IonicContact OE2-NE2 2.62Å; E385-H387 PolarHBondContact OE2-NE2 3.44Å; E385-K400 VanDerWaalsContact CD-NZ 3.32Å; E385-K400 WeakPolarHBondContact OE1-CE 3.48Å; E385-K400 IonicContact OE1-NZ 2.71Å; E385-K400 PolarHBondContact OE1-NZ 3.46Å; E385-K400 IonicContact OE2-NZ 3.53Å; E385-K400 PolarHBondContact OE2-NZ 2.91Å |
| 386 | N | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 61.2 | 175.3 | -171.5 | 42.7 | 0 | 0 | 0 | 113.5 | F285 H286 Y302 E383 W384 | F285-N386 VanDerWaalsContact CD2-OD1 3.29Å; F285-N386 WeakPolarHBondContact CD2-OD1 3.47Å; H286-N386 VanDerWaalsContact CE1-CG 3.46Å; H286-N386 PolarHBondContact N-OD1 2.87Å; H286-N386 VanDerWaalsContact N-OD1 3.13Å; H286-N386 PolarHBondContact ND1-ND2 3.09Å; H286-N386 PolarHBondContact O-ND2 3.47Å; Y302-N386 WeakPolarHBondContact CD2-ND2 3.25Å; Y302-N386 VanDerWaalsContact CG-ND2 3.35Å; E383-N386 PolarHBondContact O-N 2.89Å; E383-N386 VanDerWaalsContact O-N 3.17Å; W384-N386 PolarHBondContact O-N 3.36Å |
| 387 | H | 92.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | trans | -70.3 | 139 | 173.3 | -67.8 | -77.5 | 0 | 0 | 0 | 111.9 | R282 F285 E385 S392 H396 | R282-H387 PolarHBondContact NE-O 3.2Å; F285-H387 WeakPolarHBondContact CD2-O 3.41Å; E385-H387 IonicContact OE2-CD2 3.33Å; E385-H387 IonicContact OE2-CE1 3.76Å; E385-H387 IonicContact OE2-NE2 2.62Å; E385-H387 PolarHBondContact OE2-NE2 3.44Å; H387-S392 PolarHBondContact ND1-OG 3.38Å; H387-H396 AromaticContact CE1-CD2 3.62Å; H387-H396 AromaticContact CE1-CE1 3.58Å; H387-H396 AromaticContact CE1-CG 3.47Å; H387-H396 VanDerWaalsContact CE1-CG 3.47Å; H387-H396 AromaticContact CE1-ND1 3.44Å; H387-H396 PolarHBondContact CE1-ND1 2.95Å; H387-H396 AromaticContact CE1-NE2 3.68Å; H387-H396 AromaticContact ND1-ND1 3.98Å; H387-H396 AromaticContact NE2-CD2 3.99Å; H387-H396 AromaticContact NE2-CG 3.66Å; H387-H396 AromaticContact NE2-ND1 3.99Å | ||
| 388 | R | 89.8 | Confident | 91.9 | Very high | 51 Ų | 51 | 39.9 Ų | 39.9 | 19% | 0.192 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -70.1 | -50.6 | 179.5 | -179 | -178.1 | 174.6 | -76.4 | -4.7 | 111.9 | E279 P281 R282 F285 E299 | E279-R388 PolarHBondContact O-NH1 3.15Å; E279-R388 PolarHBondContact O-NH2 3.26Å; P281-R388 CarbonylContact C-O 3.48Å; P281-R388 VanDerWaalsContact CA-O 3.28Å; P281-R388 WeakPolarHBondContact CA-O 3.24Å; P281-R388 HydrophobicContact CB-CG 3.99Å; P281-R388 HydrophobicContact CG-CG 4.2Å; R282-R388 PolarHBondContact N-O 2.93Å; F285-R388 HydrophobicContact CD1-CB 4.44Å; F285-R388 HydrophobicContact CD1-CG 4.18Å; F285-R388 HydrophobicContact CD2-CB 4.18Å; F285-R388 HydrophobicContact CE1-CB 4.12Å; F285-R388 HydrophobicContact CE1-CG 3.88Å; F285-R388 HydrophobicContact CE2-CB 3.93Å; F285-R388 HydrophobicContact CG-CB 4.43Å; F285-R388 HydrophobicContact CZ-CB 3.89Å; F285-R388 HydrophobicContact CZ-CG 4.13Å; E299-R388 IonicContact OE1-CZ 2.72Å; E299-R388 IonicContact OE1-NE 3.56Å; E299-R388 PolarHBondContact OE1-NE 2.94Å; E299-R388 IonicContact OE1-NH2 2.91Å; E299-R388 PolarHBondContact OE1-NH2 3.14Å; E299-R388 VanDerWaalsContact OE1-NH2 3.08Å; E299-R388 IonicContact OE2-CZ 2.95Å; E299-R388 IonicContact OE2-NE 3.27Å; E299-R388 IonicContact OE2-NH2 2.91Å; E299-R388 PolarHBondContact OE2-NH2 2.98Å |
| 389 | L | 88.8 | Confident | 91.7 | Very high | 31 Ų | 31 | 44 Ų | 44 | 16% | 0.162 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -96.6 | 146.2 | -175.3 | -64.8 | 177.3 | 0 | 0 | 0 | 111 | E279 S391 S392 Y393 | E279-L389 HydrophobicContact CB-CD2 3.83Å; L389-S391 VanDerWaalsContact C-N 3.35Å; L389-S392 PolarHBondContact O-N 3.2Å; L389-Y393 PolarHBondContact O-N 3.36Å |
| 390 | E | 85.7 | Confident | 91.8 | Very high | 82 Ų | 82 | 41.5 Ų | 41.5 | 38% | 0.383 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.4 | -43.2 | 174.8 | -171.9 | 55.9 | -148.3 | 0 | 0 | 111.2 | R282 S392 Y393 Q394 | R282-E390 HydrophobicContact CB-CB 4.29Å; R282-E390 WeakPolarHBondContact CD-OE2 3.49Å; E390-S392 VanDerWaalsContact C-N 3.3Å; E390-S392 PolarHBondContact O-N 2.92Å; E390-Y393 WeakPolarHBondContact O-CB 3.46Å; E390-Y393 PolarHBondContact O-N 3.49Å; E390-Y393 VanDerWaalsContact O-N 3.15Å; E390-Q394 HydrophobicContact CG-CG 4.36Å; E390-Q394 WeakPolarHBondContact O-CG 3.42Å; E390-Q394 PolarHBondContact O-N 3.25Å; E390-Q394 PolarHBondContact OE1-NE2 3.13Å |
| 391 | S | 84.6 | Confident | 91.7 | Very high | 38 Ų | 38 | 35.1 Ų | 35.1 | 27% | 0.266 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.2 | -39 | 175.2 | 56.3 | 0 | 0 | 0 | 0 | 113.2 | L389 N395 | L389-S391 VanDerWaalsContact C-N 3.35Å; S391-N395 WeakPolarHBondContact O-CB 3.36Å; S391-N395 PolarHBondContact O-N 2.84Å; S391-N395 PolarHBondContact O-ND2 3.49Å; S391-N395 PolarHBondContact O-OD1 3.3Å |
| 392 | S | 88.9 | Confident | 91.6 | Very high | 36 Ų | 36 | 35.1 Ų | 35.1 | 25% | 0.252 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -68.8 | -41.7 | 176.2 | -174.5 | 0 | 0 | 0 | 0 | 112 | H387 L389 E390 H396 | H387-S392 PolarHBondContact ND1-OG 3.38Å; L389-S392 PolarHBondContact O-N 3.2Å; E390-S392 VanDerWaalsContact C-N 3.3Å; E390-S392 PolarHBondContact O-N 2.92Å; S392-H396 PolarHBondContact O-N 3.28Å; S392-H396 PolarHBondContact O-ND1 3.44Å |
| 393 | Y | 91.2 | Very high | 91.5 | Very high | 23 Ų | 23 | 37.2 Ų | 37.2 | 9% | 0.09 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.8 | -53.6 | 175.2 | 170.2 | -94.4 | 0 | 0 | 0 | 110.7 | T382 E383 L389 E390 N395 H396 L397 | T382-Y393 HydrophobicContact CG2-CD2 3.62Å; T382-Y393 HydrophobicContact CG2-CE2 3.71Å; T382-Y393 HydrophobicContact CG2-CG 4.36Å; E383-Y393 HydrophobicContact CB-CE2 4.41Å; L389-Y393 PolarHBondContact O-N 3.36Å; E390-Y393 WeakPolarHBondContact O-CB 3.46Å; E390-Y393 PolarHBondContact O-N 3.49Å; E390-Y393 VanDerWaalsContact O-N 3.15Å; Y393-N395 PolarHBondContact O-N 3.17Å; Y393-H396 PolarHBondContact O-N 3.1Å; Y393-L397 HydrophobicContact CE1-CD2 4.12Å; Y393-L397 PolarHBondContact O-N 2.98Å |
| 394 | Q | 88.5 | Confident | 91.6 | Very high | 71 Ų | 71 | 35 Ų | 35 | 33% | 0.332 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59.3 | -45.6 | 179.8 | -66.9 | -60.8 | -25 | 0 | 0 | 111.4 | E390 H396 L397 V398 | E390-Q394 HydrophobicContact CG-CG 4.36Å; E390-Q394 WeakPolarHBondContact O-CG 3.42Å; E390-Q394 PolarHBondContact O-N 3.25Å; E390-Q394 PolarHBondContact OE1-NE2 3.13Å; Q394-H396 VanDerWaalsContact C-N 3.33Å; Q394-H396 PolarHBondContact O-N 3.35Å; Q394-L397 PolarHBondContact O-N 3.24Å; Q394-V398 WeakPolarHBondContact O-CB 3.37Å; Q394-V398 WeakPolarHBondContact O-CG2 3.33Å; Q394-V398 PolarHBondContact O-N 3.2Å |
| 395 | N | 90.1 | Very high | 91.5 | Very high | 52 Ų | 52 | 30.8 Ų | 30.8 | 28% | 0.278 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -55.9 | -42.9 | 177.4 | -77.3 | -4.5 | 0 | 0 | 0 | 113.5 | S391 Y393 L399 V553 | S391-N395 WeakPolarHBondContact O-CB 3.36Å; S391-N395 PolarHBondContact O-N 2.84Å; S391-N395 PolarHBondContact O-ND2 3.49Å; S391-N395 PolarHBondContact O-OD1 3.3Å; Y393-N395 PolarHBondContact O-N 3.17Å; N395-L399 WeakPolarHBondContact O-CB 3.46Å; N395-L399 PolarHBondContact O-N 2.95Å; N395-L399 VanDerWaalsContact O-N 3.09Å; N395-V553 HydrophobicContact CB-CG2 3.41Å; N395-V553 VanDerWaalsContact CB-CG2 3.41Å; N395-V553 WeakPolarHBondContact OD1-CG2 3.38Å |
| 396 | H | 92.5 | Very high | 91.3 | Very high | 58 Ų | 58 | 31.8 Ų | 31.8 | 27% | 0.269 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -76.2 | -33.4 | 179.7 | -73.5 | 74.6 | 0 | 0 | 0 | 112.4 | T382 H387 S392 Y393 Q394 K400 | T382-H396 HydrophobicContact CG2-CB 4.07Å; H387-H396 AromaticContact CE1-CD2 3.62Å; H387-H396 AromaticContact CE1-CE1 3.58Å; H387-H396 AromaticContact CE1-CG 3.47Å; H387-H396 VanDerWaalsContact CE1-CG 3.47Å; H387-H396 AromaticContact CE1-ND1 3.44Å; H387-H396 PolarHBondContact CE1-ND1 2.95Å; H387-H396 AromaticContact CE1-NE2 3.68Å; H387-H396 AromaticContact ND1-ND1 3.98Å; H387-H396 AromaticContact NE2-CD2 3.99Å; H387-H396 AromaticContact NE2-CG 3.66Å; H387-H396 AromaticContact NE2-ND1 3.99Å; S392-H396 PolarHBondContact O-N 3.28Å; S392-H396 PolarHBondContact O-ND1 3.44Å; Y393-H396 PolarHBondContact O-N 3.1Å; Q394-H396 VanDerWaalsContact C-N 3.33Å; Q394-H396 PolarHBondContact O-N 3.35Å; H396-K400 WeakPolarHBondContact O-CG 3.47Å; H396-K400 PolarHBondContact O-N 2.92Å; H396-K400 PolarHBondContact O-NZ 2.86Å |
| 397 | L | 93.4 | Very high | 91.2 | Very high | 15 Ų | 15 | 35.4 Ų | 35.4 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.6 | -50.4 | 173.7 | 178.3 | 58.9 | 0 | 0 | 0 | 110.2 | A378 E379 T382 Y393 Q394 L399 K400 V401 | A378-L397 HydrophobicContact CB-CD1 3.95Å; E379-L397 HydrophobicContact CB-CD1 4.45Å; E379-L397 HydrophobicContact CG-CD1 3.84Å; E379-L397 HydrophobicContact CG-CD2 3.93Å; T382-L397 HydrophobicContact CG2-CB 4.17Å; Y393-L397 HydrophobicContact CE1-CD2 4.12Å; Y393-L397 PolarHBondContact O-N 2.98Å; Q394-L397 PolarHBondContact O-N 3.24Å; L397-L399 VanDerWaalsContact C-N 3.32Å; L397-L399 PolarHBondContact O-N 3.5Å; L397-K400 PolarHBondContact O-N 2.67Å; L397-V401 HydrophobicContact CD1-CG2 4.03Å; L397-V401 WeakPolarHBondContact O-CG2 3.39Å; L397-V401 PolarHBondContact O-N 3.15Å; L397-V401 VanDerWaalsContact O-N 3.07Å |
| 398 | V | 91.6 | Very high | 91 | Very high | 9 Ų | 9 | 35.4 Ų | 35.4 | 6% | 0.055 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -52.5 | -51.4 | 176.8 | 170 | 0 | 0 | 0 | 0 | 109.9 | Q394 K400 V401 L402 F494 V553 W554 | Q394-V398 WeakPolarHBondContact O-CB 3.37Å; Q394-V398 WeakPolarHBondContact O-CG2 3.33Å; Q394-V398 PolarHBondContact O-N 3.2Å; V398-K400 VanDerWaalsContact C-N 3.35Å; V398-K400 PolarHBondContact O-N 2.63Å; V398-V401 PolarHBondContact O-N 3.49Å; V398-L402 WeakPolarHBondContact O-CB 3.43Å; V398-L402 PolarHBondContact O-N 3.32Å; V398-F494 HydrophobicContact CB-CD2 4.21Å; V398-F494 HydrophobicContact CB-CE2 4.03Å; V398-F494 HydrophobicContact CG1-CD2 4.36Å; V398-F494 HydrophobicContact CG1-CE2 4.02Å; V398-F494 HydrophobicContact CG2-CD2 3.58Å; V398-F494 HydrophobicContact CG2-CE2 3.92Å; V398-V553 HydrophobicContact CG1-CB 4.38Å; V398-V553 HydrophobicContact CG1-CG1 4.18Å; V398-W554 HydrophobicContact CG1-CD2 4.23Å; V398-W554 HydrophobicContact CG1-CH2 4.22Å; V398-W554 HydrophobicContact CG1-CZ2 3.79Å |
| 399 | L | 92 | Very high | 90.8 | Very high | 86 Ų | 86 | 34 Ų | 34 | 45% | 0.45 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -57.9 | -44.5 | -178.8 | -177.5 | 65 | 0 | 0 | 0 | 112.6 | N395 L397 V403 | N395-L399 WeakPolarHBondContact O-CB 3.46Å; N395-L399 PolarHBondContact O-N 2.95Å; N395-L399 VanDerWaalsContact O-N 3.09Å; L397-L399 VanDerWaalsContact C-N 3.32Å; L397-L399 PolarHBondContact O-N 3.5Å; L399-V403 HydrophobicContact CD1-CG2 4.21Å; L399-V403 VanDerWaalsContact O-CG2 3.26Å; L399-V403 WeakPolarHBondContact O-CG2 3.5Å; L399-V403 PolarHBondContact O-N 3.4Å |
| 400 | K | 94.1 | Very high | 90.9 | Very high | 16 Ų | 16 | 32.5 Ų | 32.5 | 7% | 0.07 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.3 | -47.7 | -179.5 | -71.7 | 177.5 | -174.5 | 76.3 | 0 | 112.1 | S315 V319 Y374 A378 T382 E385 H396 L397 V398 F404 | S315-K400 WeakPolarHBondContact OG-CE 3.4Å; V319-K400 HydrophobicContact CG2-CB 4.5Å; V319-K400 HydrophobicContact CG2-CD 4.36Å; V319-K400 HydrophobicContact CG2-CG 4.03Å; Y374-K400 VanDerWaalsContact CE1-O 3.23Å; Y374-K400 WeakPolarHBondContact CE1-O 3.39Å; Y374-K400 PolarHBondContact OH-O 2.94Å; A378-K400 HydrophobicContact CB-CB 4.25Å; A378-K400 HydrophobicContact CB-CD 4.46Å; T382-K400 PolarHBondContact OG1-NZ 3.42Å; E385-K400 VanDerWaalsContact CD-NZ 3.32Å; E385-K400 WeakPolarHBondContact OE1-CE 3.48Å; E385-K400 IonicContact OE1-NZ 2.71Å; E385-K400 PolarHBondContact OE1-NZ 3.46Å; E385-K400 IonicContact OE2-NZ 3.53Å; E385-K400 PolarHBondContact OE2-NZ 2.91Å; H396-K400 WeakPolarHBondContact O-CG 3.47Å; H396-K400 PolarHBondContact O-N 2.92Å; H396-K400 PolarHBondContact O-NZ 2.86Å; L397-K400 PolarHBondContact O-N 2.67Å; V398-K400 VanDerWaalsContact C-N 3.35Å; V398-K400 PolarHBondContact O-N 2.63Å; K400-F404 PolarHBondContact O-N 3.18Å |
| 401 | V | 94 | Very high | 91.2 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.024 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.7 | -40.5 | -178.1 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | Y374 A378 L397 V398 F404 N405 F494 | Y374-V401 HydrophobicContact CE1-CG2 4.45Å; A378-V401 HydrophobicContact CB-CG2 3.79Å; L397-V401 HydrophobicContact CD1-CG2 4.03Å; L397-V401 WeakPolarHBondContact O-CG2 3.39Å; L397-V401 PolarHBondContact O-N 3.15Å; L397-V401 VanDerWaalsContact O-N 3.07Å; V398-V401 PolarHBondContact O-N 3.49Å; V401-F404 PolarHBondContact O-N 2.84Å; V401-N405 VanDerWaalsContact CG1-ND2 3.34Å; V401-N405 WeakPolarHBondContact CG1-ND2 3.3Å; V401-N405 WeakPolarHBondContact O-CB 3.33Å; V401-N405 PolarHBondContact O-N 3.14Å; V401-N405 PolarHBondContact O-ND2 3.44Å; V401-F494 HydrophobicContact CB-CE1 4.25Å; V401-F494 HydrophobicContact CB-CE2 4.32Å; V401-F494 HydrophobicContact CB-CZ 3.59Å; V401-F494 HydrophobicContact CG1-CE1 3.64Å; V401-F494 HydrophobicContact CG1-CE2 4.49Å; V401-F494 HydrophobicContact CG1-CZ 3.35Å; V401-F494 HydrophobicContact CG2-CZ 4.5Å |
| 402 | L | 93.6 | Very high | 91.5 | Very high | 13 Ų | 13 | 27.7 Ų | 27.7 | 7% | 0.068 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.9 | -49.2 | 177.4 | -175.7 | 153.8 | 0 | 0 | 0 | 112.3 | V398 F404 N405 F406 F501 W554 A557 | V398-L402 WeakPolarHBondContact O-CB 3.43Å; V398-L402 PolarHBondContact O-N 3.32Å; L402-F404 VanDerWaalsContact C-N 3.3Å; L402-F404 PolarHBondContact O-N 3.3Å; L402-N405 PolarHBondContact O-N 3.25Å; L402-F406 VanDerWaalsContact O-CB 3.23Å; L402-F406 WeakPolarHBondContact O-CB 3.45Å; L402-F406 PolarHBondContact O-N 3.17Å; L402-F501 HydrophobicContact CD1-CD1 4.3Å; L402-F501 HydrophobicContact CD1-CE1 4.17Å; L402-F501 HydrophobicContact CD1-CE2 4.44Å; L402-F501 HydrophobicContact CD1-CG 4.47Å; L402-F501 HydrophobicContact CD1-CZ 4.22Å; L402-F501 HydrophobicContact CD2-CE1 3.84Å; L402-F501 HydrophobicContact CD2-CZ 3.76Å; L402-F501 HydrophobicContact CG-CD1 4.22Å; L402-F501 HydrophobicContact CG-CE1 3.81Å; L402-F501 HydrophobicContact CG-CZ 4.12Å; L402-W554 HydrophobicContact CD1-CE3 3.79Å; L402-W554 HydrophobicContact CD1-CH2 4.11Å; L402-W554 HydrophobicContact CD1-CZ3 3.4Å; L402-W554 HydrophobicContact CG-CZ3 4.38Å; L402-A557 HydrophobicContact CD1-CB 3.36Å; L402-A557 HydrophobicContact CD2-CB 4.36Å |
| 403 | V | 93.8 | Very high | 91.6 | Very high | 45 Ų | 45 | 26 Ų | 26 | 27% | 0.273 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -60.6 | -43.9 | 179.7 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | L323 L399 F406 F407 | L323-V403 HydrophobicContact CD1-CG1 3.83Å; L323-V403 HydrophobicContact CD2-CG1 4.19Å; L399-V403 HydrophobicContact CD1-CG2 4.21Å; L399-V403 VanDerWaalsContact O-CG2 3.26Å; L399-V403 WeakPolarHBondContact O-CG2 3.5Å; L399-V403 PolarHBondContact O-N 3.4Å; V403-F406 PolarHBondContact O-N 2.98Å; V403-F407 HydrophobicContact CG1-CD2 4.07Å; V403-F407 HydrophobicContact CG1-CE2 4.18Å; V403-F407 WeakPolarHBondContact O-CD2 3.37Å; V403-F407 PolarHBondContact O-N 3.1Å; V403-F407 VanDerWaalsContact O-N 3.09Å |
| 404 | F | 94.8 | Very high | 91.8 | Very high | 5 Ų | 5 | 27 Ų | 27 | 2% | 0.022 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.3 | -48.2 | 178.5 | -176.2 | -102 | 0 | 0 | 0 | 112.9 | C322 L323 M370 Y374 K400 V401 L402 F406 F407 N408 | C322-F404 HydrophobicContact CB-CD2 4.18Å; C322-F404 HydrophobicContact CB-CE2 4.03Å; L323-F404 HydrophobicContact CD2-CD2 4.18Å; M370-F404 HydrophobicContact CB-CE1 4.43Å; M370-F404 HydrophobicContact CB-CZ 4.19Å; M370-F404 HydrophobicContact CE-CE2 4.48Å; M370-F404 HydrophobicContact CE-CZ 4Å; Y374-F404 HydrophobicContact CD1-CB 3.59Å; Y374-F404 AromaticContact CD1-CD1 3.43Å; Y374-F404 HydrophobicContact CD1-CD1 3.43Å; Y374-F404 VanDerWaalsContact CD1-CD1 3.43Å; Y374-F404 HydrophobicContact CD1-CD2 4.25Å; Y374-F404 HydrophobicContact CD1-CE1 4.1Å; Y374-F404 AromaticContact CD1-CG 3.49Å; Y374-F404 HydrophobicContact CD1-CG 3.49Å; Y374-F404 VanDerWaalsContact CD1-CG 3.49Å; Y374-F404 HydrophobicContact CD2-CB 4.42Å; Y374-F404 HydrophobicContact CD2-CD1 4.17Å; Y374-F404 AromaticContact CD2-CD2 3.74Å; Y374-F404 HydrophobicContact CD2-CD2 3.74Å; Y374-F404 HydrophobicContact CD2-CE1 4.31Å; Y374-F404 AromaticContact CD2-CE2 3.95Å; Y374-F404 HydrophobicContact CD2-CE2 3.95Å; Y374-F404 AromaticContact CD2-CG 3.85Å; Y374-F404 HydrophobicContact CD2-CG 3.85Å; Y374-F404 HydrophobicContact CD2-CZ 4.22Å; Y374-F404 HydrophobicContact CE1-CB 3.28Å; Y374-F404 HydrophobicContact CE1-CD1 4.09Å; Y374-F404 HydrophobicContact CE1-CD2 4.38Å; Y374-F404 AromaticContact CE1-CG 3.69Å; Y374-F404 HydrophobicContact CE1-CG 3.69Å; Y374-F404 HydrophobicContact CE2-CB 4.16Å; Y374-F404 AromaticContact CE2-CD2 3.88Å; Y374-F404 HydrophobicContact CE2-CD2 3.88Å; Y374-F404 HydrophobicContact CE2-CE2 4.46Å; Y374-F404 HydrophobicContact CE2-CG 4.02Å; Y374-F404 HydrophobicContact CG-CB 4.14Å; Y374-F404 AromaticContact CG-CD1 3.46Å; Y374-F404 HydrophobicContact CG-CD1 3.46Å; Y374-F404 VanDerWaalsContact CG-CD1 3.46Å; Y374-F404 AromaticContact CG-CD2 3.91Å; Y374-F404 HydrophobicContact CG-CD2 3.91Å; Y374-F404 AromaticContact CG-CE1 3.67Å; Y374-F404 HydrophobicContact CG-CE1 3.67Å; Y374-F404 HydrophobicContact CG-CE2 4.14Å; Y374-F404 AromaticContact CG-CG 3.56Å; Y374-F404 HydrophobicContact CG-CG 3.56Å; Y374-F404 HydrophobicContact CG-CZ 4.01Å; Y374-F404 AromaticContact CZ-CG 3.91Å; K400-F404 PolarHBondContact O-N 3.18Å; V401-F404 PolarHBondContact O-N 2.84Å; L402-F404 VanDerWaalsContact C-N 3.3Å; L402-F404 PolarHBondContact O-N 3.3Å; F404-F406 VanDerWaalsContact C-N 3.34Å; F404-F406 PolarHBondContact O-N 3.47Å; F404-F407 PolarHBondContact O-N 3Å; F404-N408 WeakPolarHBondContact CD1-ND2 3.28Å; F404-N408 WeakPolarHBondContact CE1-ND2 2.84Å; F404-N408 WeakPolarHBondContact CZ-ND2 3.36Å; F404-N408 PolarHBondContact O-N 3.16Å |
| 405 | N | 90.9 | Very high | 92 | Very high | 10 Ų | 10 | 26.3 Ų | 26.3 | 5% | 0.053 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.5 | -40.4 | 178.1 | -74.2 | -25.9 | 0 | 0 | 0 | 111.8 | N371 V401 L402 F407 N408 C409 L498 | N371-N405 PolarHBondContact OD1-OD1 3.05Å; V401-N405 VanDerWaalsContact CG1-ND2 3.34Å; V401-N405 WeakPolarHBondContact CG1-ND2 3.3Å; V401-N405 WeakPolarHBondContact O-CB 3.33Å; V401-N405 PolarHBondContact O-N 3.14Å; V401-N405 PolarHBondContact O-ND2 3.44Å; L402-N405 PolarHBondContact O-N 3.25Å; N405-F407 PolarHBondContact O-N 3.44Å; N405-N408 PolarHBondContact O-N 2.98Å; N405-C409 WeakPolarHBondContact O-CB 3.29Å; N405-C409 PolarHBondContact O-N 2.7Å; N405-C409 PolarHBondContact O-SG 3.31Å; N405-L498 HydrophobicContact CB-CD1 4.21Å; N405-L498 WeakPolarHBondContact ND2-CD2 3.33Å |
| 406 | F | 91.7 | Very high | 92 | Very high | 22 Ų | 22 | 24 Ų | 24 | 10% | 0.096 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.3 | -50.2 | 174.3 | 174.9 | -91.8 | 0 | 0 | 0 | 111.3 | L402 V403 F404 C409 F410 F414 F501 L509 M561 I564 | L402-F406 VanDerWaalsContact O-CB 3.23Å; L402-F406 WeakPolarHBondContact O-CB 3.45Å; L402-F406 PolarHBondContact O-N 3.17Å; V403-F406 PolarHBondContact O-N 2.98Å; F404-F406 VanDerWaalsContact C-N 3.34Å; F404-F406 PolarHBondContact O-N 3.47Å; F406-C409 PolarHBondContact O-N 3.03Å; F406-F410 AromaticContact CD2-CD2 3.3Å; F406-F410 HydrophobicContact CD2-CD2 3.3Å; F406-F410 AromaticContact CD2-CE2 3.64Å; F406-F410 HydrophobicContact CD2-CE2 3.64Å; F406-F410 HydrophobicContact CD2-CG 4.39Å; F406-F410 AromaticContact CE2-CD2 3.44Å; F406-F410 HydrophobicContact CE2-CD2 3.44Å; F406-F410 VanDerWaalsContact CE2-CD2 3.44Å; F406-F410 AromaticContact CE2-CE2 3.92Å; F406-F410 HydrophobicContact CE2-CE2 3.92Å; F406-F410 HydrophobicContact CE2-CG 4.18Å; F406-F410 AromaticContact CG-CD2 3.95Å; F406-F410 HydrophobicContact CG-CD2 3.95Å; F406-F410 HydrophobicContact CZ-CD2 4.2Å; F406-F410 WeakPolarHBondContact O-CB 3.5Å; F406-F410 VanDerWaalsContact O-CD2 3.24Å; F406-F410 WeakPolarHBondContact O-CD2 3.47Å; F406-F410 PolarHBondContact O-N 2.85Å; F406-F414 HydrophobicContact CE1-CE2 4.19Å; F406-F414 AromaticContact CZ-CE2 3.89Å; F406-F414 HydrophobicContact CZ-CE2 3.89Å; F406-F414 HydrophobicContact CZ-CZ 4.25Å; F406-F501 HydrophobicContact CB-CE1 4.44Å; F406-F501 HydrophobicContact CD2-CE1 4.21Å; F406-F501 HydrophobicContact CD2-CZ 4.28Å; F406-L509 HydrophobicContact CE2-CD1 4.2Å; F406-M561 HydrophobicContact CD2-CE 3.45Å; F406-M561 VanDerWaalsContact CD2-CE 3.45Å; F406-M561 HydrophobicContact CD2-SD 4.37Å; F406-M561 HydrophobicContact CE2-CE 3.35Å; F406-M561 HydrophobicContact CE2-SD 3.66Å; F406-I564 HydrophobicContact CZ-CD1 4.12Å |
| 407 | F | 91.4 | Very high | 92 | Very high | 75 Ų | 75 | 21.2 Ų | 21.2 | 33% | 0.329 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -63 | -45 | 177.9 | -90.4 | -92.9 | 0 | 0 | 0 | 111.8 | L323 V403 F404 N405 C409 A411 | L323-F407 HydrophobicContact CD1-CD2 4.33Å; L323-F407 HydrophobicContact CD1-CE2 4.29Å; L323-F407 HydrophobicContact CD2-CB 3.78Å; L323-F407 HydrophobicContact CD2-CD2 3.75Å; L323-F407 HydrophobicContact CD2-CG 3.8Å; V403-F407 HydrophobicContact CG1-CD2 4.07Å; V403-F407 HydrophobicContact CG1-CE2 4.18Å; V403-F407 WeakPolarHBondContact O-CD2 3.37Å; V403-F407 PolarHBondContact O-N 3.1Å; V403-F407 VanDerWaalsContact O-N 3.09Å; F404-F407 PolarHBondContact O-N 3Å; N405-F407 PolarHBondContact O-N 3.44Å; F407-C409 VanDerWaalsContact C-N 3.33Å; F407-C409 PolarHBondContact O-N 3.38Å; F407-A411 WeakPolarHBondContact O-CB 3.45Å; F407-A411 PolarHBondContact O-N 3.4Å |
| 408 | N | 88.9 | Confident | 92 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.011 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.8 | -39.2 | 179.7 | -74.4 | -2.7 | 0 | 0 | 0 | 113.1 | S326 I367 N371 F404 N405 | S326-N408 WeakPolarHBondContact CB-OD1 3.37Å; S326-N408 PolarHBondContact OG-OD1 3.24Å; I367-N408 HydrophobicContact CG2-CB 4.23Å; N371-N408 PolarHBondContact OD1-ND2 2.9Å; F404-N408 WeakPolarHBondContact CD1-ND2 3.28Å; F404-N408 WeakPolarHBondContact CE1-ND2 2.84Å; F404-N408 WeakPolarHBondContact CZ-ND2 3.36Å; F404-N408 PolarHBondContact O-N 3.16Å; N405-N408 PolarHBondContact O-N 2.98Å |
| 409 | C | 87.3 | Confident | 92 | Very high | 21 Ų | 21 | 27.4 Ų | 27.4 | 14% | 0.142 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -78.4 | -40.5 | -178.7 | -65.7 | 0 | 0 | 0 | 0 | 112.8 | N405 F406 F407 L502 | N405-C409 WeakPolarHBondContact O-CB 3.29Å; N405-C409 PolarHBondContact O-N 2.7Å; N405-C409 PolarHBondContact O-SG 3.31Å; F406-C409 PolarHBondContact O-N 3.03Å; F407-C409 VanDerWaalsContact C-N 3.33Å; F407-C409 PolarHBondContact O-N 3.38Å; C409-L502 HydrophobicContact CB-CD2 4.16Å |
| 410 | F | 91 | Very high | 91.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -103.6 | -15.9 | -169.3 | -61.9 | -68 | 0 | 0 | 0 | 114.7 | F406 S412 L413 F414 L502 Y506 L509 F510 M561 | F406-F410 AromaticContact CD2-CD2 3.3Å; F406-F410 HydrophobicContact CD2-CD2 3.3Å; F406-F410 AromaticContact CD2-CE2 3.64Å; F406-F410 HydrophobicContact CD2-CE2 3.64Å; F406-F410 HydrophobicContact CD2-CG 4.39Å; F406-F410 AromaticContact CE2-CD2 3.44Å; F406-F410 HydrophobicContact CE2-CD2 3.44Å; F406-F410 VanDerWaalsContact CE2-CD2 3.44Å; F406-F410 AromaticContact CE2-CE2 3.92Å; F406-F410 HydrophobicContact CE2-CE2 3.92Å; F406-F410 HydrophobicContact CE2-CG 4.18Å; F406-F410 AromaticContact CG-CD2 3.95Å; F406-F410 HydrophobicContact CG-CD2 3.95Å; F406-F410 HydrophobicContact CZ-CD2 4.2Å; F406-F410 WeakPolarHBondContact O-CB 3.5Å; F406-F410 VanDerWaalsContact O-CD2 3.24Å; F406-F410 WeakPolarHBondContact O-CD2 3.47Å; F406-F410 PolarHBondContact O-N 2.85Å; F410-S412 VanDerWaalsContact C-N 3.34Å; F410-S412 PolarHBondContact O-N 2.91Å; F410-L413 HydrophobicContact CD1-CD1 4.13Å; F410-L413 PolarHBondContact O-N 3.1Å; F410-F414 HydrophobicContact CB-CD2 4.03Å; F410-F414 HydrophobicContact CB-CE2 3.75Å; F410-F414 HydrophobicContact CB-CZ 4.5Å; F410-F414 WeakPolarHBondContact O-CD2 3.3Å; F410-F414 WeakPolarHBondContact O-CG 3.25Å; F410-F414 PolarHBondContact O-N 3.48Å; F410-L502 HydrophobicContact CE2-CD2 3.75Å; F410-L502 HydrophobicContact CZ-CD2 4.27Å; F410-Y506 HydrophobicContact CD1-CD1 4.34Å; F410-Y506 HydrophobicContact CD1-CE1 4.16Å; F410-Y506 AromaticContact CE1-CD1 3.51Å; F410-Y506 HydrophobicContact CE1-CD1 3.51Å; F410-Y506 AromaticContact CE1-CE1 3.57Å; F410-Y506 HydrophobicContact CE1-CE1 3.57Å; F410-Y506 HydrophobicContact CE1-CG 4.07Å; F410-Y506 HydrophobicContact CZ-CD1 4.29Å; F410-Y506 HydrophobicContact CZ-CE1 4.29Å; F410-Y506 HydrophobicContact CZ-CG 4.49Å; F410-L509 HydrophobicContact CD1-CD1 3.75Å; F410-L509 HydrophobicContact CD2-CD1 4.36Å; F410-L509 HydrophobicContact CE1-CD1 3.9Å; F410-L509 HydrophobicContact CG-CD1 3.99Å; F410-L509 HydrophobicContact CZ-CD1 4.3Å; F410-F510 AromaticContact CD1-CE2 3.94Å; F410-F510 HydrophobicContact CD1-CE2 3.94Å; F410-F510 HydrophobicContact CE1-CE2 4.45Å; F410-M561 HydrophobicContact CE2-CE 3.88Å; F410-M561 HydrophobicContact CZ-CE 4.33Å |
| 411 | A | 91.9 | Very high | 91.6 | Very high | 10 Ų | 10 | 31 Ų | 31 | 8% | 0.083 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.8 | -40.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L327 M330 F407 F414 Y415 | L327-A411 HydrophobicContact CD2-CB 3.8Å; M330-A411 HydrophobicContact SD-CB 3.62Å; F407-A411 WeakPolarHBondContact O-CB 3.45Å; F407-A411 PolarHBondContact O-N 3.4Å; A411-F414 PolarHBondContact O-N 3.34Å; A411-Y415 WeakPolarHBondContact O-CB 3.47Å; A411-Y415 PolarHBondContact O-N 3.38Å |
| 412 | S | 90.1 | Very high | 91.3 | Very high | 9 Ų | 9 | 34.1 Ų | 34.1 | 6% | 0.063 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.2 | -41.4 | 176.5 | 56.8 | 0 | 0 | 0 | 0 | 111.6 | M330 F410 Y415 I416 | M330-S412 PolarHBondContact SD-N 3.49Å; M330-S412 VanDerWaalsContact SD-N 3.44Å; F410-S412 VanDerWaalsContact C-N 3.34Å; F410-S412 PolarHBondContact O-N 2.91Å; S412-Y415 WeakPolarHBondContact O-CB 3.4Å; S412-Y415 PolarHBondContact O-N 2.96Å; S412-I416 WeakPolarHBondContact O-CD1 3.49Å; S412-I416 VanDerWaalsContact O-CG1 3.27Å; S412-I416 WeakPolarHBondContact O-CG1 3.44Å; S412-I416 PolarHBondContact O-N 3.44Å |
| 413 | L | 91.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.4 | -41.9 | 176.3 | -63.1 | 177.9 | 0 | 0 | 0 | 111.7 | F410 Y415 I416 A417 L426 L430 L433 Y506 F510 | F410-L413 HydrophobicContact CD1-CD1 4.13Å; F410-L413 PolarHBondContact O-N 3.1Å; L413-Y415 VanDerWaalsContact C-N 3.31Å; L413-Y415 PolarHBondContact O-N 3.41Å; L413-I416 HydrophobicContact CD2-CD1 4.41Å; L413-I416 PolarHBondContact O-N 2.87Å; L413-A417 WeakPolarHBondContact O-CB 3.45Å; L413-A417 PolarHBondContact O-N 2.78Å; L413-L426 HydrophobicContact CB-CD1 4.12Å; L413-L426 HydrophobicContact CD2-CD1 3.99Å; L413-L430 HydrophobicContact CD1-CD1 4.07Å; L413-L433 HydrophobicContact CD1-CD1 4.36Å; L413-L433 HydrophobicContact CD2-CD1 4.04Å; L413-L433 HydrophobicContact CG-CD1 4.29Å; L413-Y506 HydrophobicContact CD1-CD1 4.14Å; L413-Y506 HydrophobicContact CD1-CE1 3.8Å; L413-F510 HydrophobicContact CB-CE1 4.22Å; L413-F510 HydrophobicContact CB-CE2 3.93Å; L413-F510 HydrophobicContact CB-CZ 3.56Å; L413-F510 HydrophobicContact CD1-CD2 4.28Å; L413-F510 HydrophobicContact CD1-CE2 3.78Å; L413-F510 HydrophobicContact CD1-CZ 4.3Å |
| 414 | F | 94.3 | Very high | 90.5 | Very high | 44 Ų | 44 | 38.8 Ų | 38.8 | 19% | 0.193 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.8 | -36.6 | 173.6 | -72.8 | -46.8 | 0 | 0 | 0 | 112.5 | F406 F410 A411 F418 L509 F510 I564 T568 | F406-F414 HydrophobicContact CE1-CE2 4.19Å; F406-F414 AromaticContact CZ-CE2 3.89Å; F406-F414 HydrophobicContact CZ-CE2 3.89Å; F406-F414 HydrophobicContact CZ-CZ 4.25Å; F410-F414 HydrophobicContact CB-CD2 4.03Å; F410-F414 HydrophobicContact CB-CE2 3.75Å; F410-F414 HydrophobicContact CB-CZ 4.5Å; F410-F414 WeakPolarHBondContact O-CD2 3.3Å; F410-F414 WeakPolarHBondContact O-CG 3.25Å; F410-F414 PolarHBondContact O-N 3.48Å; A411-F414 PolarHBondContact O-N 3.34Å; F414-F418 HydrophobicContact CB-CD2 4.27Å; F414-F418 AromaticContact CD1-CD2 3.97Å; F414-F418 HydrophobicContact CD1-CD2 3.97Å; F414-F418 AromaticContact CD1-CE2 3.52Å; F414-F418 HydrophobicContact CD1-CE2 3.52Å; F414-F418 HydrophobicContact CE1-CE2 4.07Å; F414-F418 HydrophobicContact CG-CE2 4.47Å; F414-F418 WeakPolarHBondContact O-CB 3.32Å; F414-F418 WeakPolarHBondContact O-CD2 3.44Å; F414-F418 PolarHBondContact O-N 3.03Å; F414-L509 HydrophobicContact CZ-CD1 3.99Å; F414-L509 HydrophobicContact CZ-CD2 4.23Å; F414-F510 HydrophobicContact CD1-CE1 4.33Å; F414-F510 HydrophobicContact CD1-CZ 4.01Å; F414-F510 HydrophobicContact CE1-CE1 4.43Å; F414-F510 AromaticContact CE1-CZ 3.97Å; F414-F510 HydrophobicContact CE1-CZ 3.97Å; F414-I564 HydrophobicContact CZ-CG2 4.31Å; F414-T568 HydrophobicContact CE1-CG2 3.93Å |
| 415 | Y | 92.9 | Very high | 90.1 | Very high | 56 Ų | 56 | 40.5 Ų | 40.5 | 22% | 0.22 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.4 | -46.8 | 174.9 | -174.9 | -91 | 0 | 0 | 0 | 111.7 | M330 M331 F334 A411 S412 L413 A417 V419 M420 | M330-Y415 HydrophobicContact CE-CD2 4.08Å; M330-Y415 HydrophobicContact CE-CG 4.26Å; M331-Y415 HydrophobicContact CE-CE2 4.16Å; M331-Y415 HydrophobicContact SD-CD2 4.33Å; M331-Y415 HydrophobicContact SD-CE2 3.83Å; F334-Y415 HydrophobicContact CD1-CD1 4.21Å; F334-Y415 HydrophobicContact CD1-CE1 4.13Å; F334-Y415 AromaticContact CD2-CD1 3.57Å; F334-Y415 HydrophobicContact CD2-CD1 3.57Å; F334-Y415 AromaticContact CD2-CE1 3.68Å; F334-Y415 HydrophobicContact CD2-CE1 3.68Å; F334-Y415 HydrophobicContact CD2-CG 4.13Å; F334-Y415 AromaticContact CE1-CD1 3.88Å; F334-Y415 HydrophobicContact CE1-CD1 3.88Å; F334-Y415 HydrophobicContact CE1-CE1 4.25Å; F334-Y415 AromaticContact CE2-CD1 3.18Å; F334-Y415 HydrophobicContact CE2-CD1 3.18Å; F334-Y415 AromaticContact CE2-CE1 3.81Å; F334-Y415 HydrophobicContact CE2-CE1 3.81Å; F334-Y415 AromaticContact CE2-CG 3.59Å; F334-Y415 HydrophobicContact CE2-CG 3.59Å; F334-Y415 HydrophobicContact CG-CD1 4.08Å; F334-Y415 AromaticContact CG-CE1 3.85Å; F334-Y415 HydrophobicContact CG-CE1 3.85Å; F334-Y415 AromaticContact CZ-CD1 3.36Å; F334-Y415 HydrophobicContact CZ-CD1 3.36Å; F334-Y415 HydrophobicContact CZ-CE1 4.1Å; F334-Y415 HydrophobicContact CZ-CG 4.05Å; A411-Y415 WeakPolarHBondContact O-CB 3.47Å; A411-Y415 PolarHBondContact O-N 3.38Å; S412-Y415 WeakPolarHBondContact O-CB 3.4Å; S412-Y415 PolarHBondContact O-N 2.96Å; L413-Y415 VanDerWaalsContact C-N 3.31Å; L413-Y415 PolarHBondContact O-N 3.41Å; Y415-A417 VanDerWaalsContact C-N 3.34Å; Y415-A417 PolarHBondContact O-N 3.48Å; Y415-V419 HydrophobicContact CD2-CB 3.89Å; Y415-V419 HydrophobicContact CD2-CG1 4.23Å; Y415-V419 HydrophobicContact CD2-CG2 3.76Å; Y415-V419 HydrophobicContact CE2-CB 3.9Å; Y415-V419 HydrophobicContact CE2-CG1 3.71Å; Y415-V419 HydrophobicContact CE2-CG2 4.04Å; Y415-V419 HydrophobicContact CG-CB 4.26Å; Y415-V419 HydrophobicContact CG-CG2 4.38Å; Y415-V419 WeakPolarHBondContact O-CA 3.34Å; Y415-V419 VanDerWaalsContact O-CB 3.27Å; Y415-V419 WeakPolarHBondContact O-CB 3.24Å; Y415-V419 PolarHBondContact O-N 2.92Å; Y415-M420 HydrophobicContact CD1-CE 4.07Å; Y415-M420 HydrophobicContact CD1-CG 3.97Å; Y415-M420 HydrophobicContact CD1-SD 4.27Å; Y415-M420 HydrophobicContact CE1-CE 4.22Å; Y415-M420 HydrophobicContact CE1-CG 3.62Å; Y415-M420 HydrophobicContact CE1-SD 3.84Å; Y415-M420 PolarHBondContact O-N 2.99Å |
| 416 | I | 91.1 | Very high | 90 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -59.4 | -47.6 | 175.4 | -62.8 | 157.5 | 0 | 0 | 0 | 110.2 | F334 S412 L413 M420 Q421 D422 L425 L426 | F334-I416 HydrophobicContact CE1-CG1 4.12Å; F334-I416 HydrophobicContact CZ-CG1 4.05Å; S412-I416 WeakPolarHBondContact O-CD1 3.49Å; S412-I416 VanDerWaalsContact O-CG1 3.27Å; S412-I416 WeakPolarHBondContact O-CG1 3.44Å; S412-I416 PolarHBondContact O-N 3.44Å; L413-I416 HydrophobicContact CD2-CD1 4.41Å; L413-I416 PolarHBondContact O-N 2.87Å; I416-M420 HydrophobicContact CB-CE 3.92Å; I416-M420 HydrophobicContact CG1-CE 3.32Å; I416-M420 HydrophobicContact CG2-CE 4.15Å; I416-M420 CarbonylContact O-C 3.59Å; I416-Q421 PolarHBondContact O-N 2.7Å; I416-D422 WeakPolarHBondContact CG2-O 3.19Å; I416-D422 PolarHBondContact O-N 3.49Å; I416-L425 HydrophobicContact CG1-CD2 4.42Å; I416-L425 HydrophobicContact CG2-CB 4.13Å; I416-L425 HydrophobicContact CG2-CD2 4.13Å; I416-L425 HydrophobicContact CG2-CG 4.04Å; I416-L426 HydrophobicContact CB-CD1 4.37Å; I416-L426 HydrophobicContact CG2-CB 3.83Å; I416-L426 HydrophobicContact CG2-CD1 4.38Å |
| 417 | A | 91.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -64.7 | -50.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L413 Y415 L426 F510 L572 | L413-A417 WeakPolarHBondContact O-CB 3.45Å; L413-A417 PolarHBondContact O-N 2.78Å; Y415-A417 VanDerWaalsContact C-N 3.34Å; Y415-A417 PolarHBondContact O-N 3.48Å; A417-L426 HydrophobicContact CB-CD1 4.26Å; A417-L426 HydrophobicContact CB-CD2 3.71Å; A417-F510 HydrophobicContact CB-CE1 4.43Å; A417-L572 HydrophobicContact CB-CD2 4.06Å |
| 418 | F | 93 | Very high | 89.4 | Confident | 62 Ų | 62 | 42.4 Ų | 42.4 | 27% | 0.272 | 22% | 0.22 | S | C | . | . | I | π-helix | trans | -104.4 | -25.8 | -166.3 | -61.3 | -53.5 | 0 | 0 | 0 | 114.2 | F414 T568 A571 L572 M575 | F414-F418 HydrophobicContact CB-CD2 4.27Å; F414-F418 AromaticContact CD1-CD2 3.97Å; F414-F418 HydrophobicContact CD1-CD2 3.97Å; F414-F418 AromaticContact CD1-CE2 3.52Å; F414-F418 HydrophobicContact CD1-CE2 3.52Å; F414-F418 HydrophobicContact CE1-CE2 4.07Å; F414-F418 HydrophobicContact CG-CE2 4.47Å; F414-F418 WeakPolarHBondContact O-CB 3.32Å; F414-F418 WeakPolarHBondContact O-CD2 3.44Å; F414-F418 PolarHBondContact O-N 3.03Å; F418-T568 HydrophobicContact CE2-CG2 4.3Å; F418-T568 HydrophobicContact CZ-CG2 3.9Å; F418-A571 HydrophobicContact CD1-CB 4.43Å; F418-A571 HydrophobicContact CE1-CB 3.52Å; F418-A571 HydrophobicContact CZ-CB 3.94Å; F418-L572 HydrophobicContact CE1-CD2 4.17Å; F418-L572 HydrophobicContact CE1-CG 4.23Å; F418-L572 HydrophobicContact CZ-CG 4.4Å; F418-M575 HydrophobicContact CD1-SD 3.68Å; F418-M575 HydrophobicContact CE1-SD 4.2Å |
| 419 | V | 92.1 | Very high | 89.2 | Confident | 92 Ų | 92 | 43.5 Ų | 43.5 | 56% | 0.558 | 23% | 0.228 | S | C | * | . | I | π-helix | trans | -97.7 | -53.2 | 178.7 | -174.9 | 0 | 0 | 0 | 0 | 110.9 | Y415 | Y415-V419 HydrophobicContact CD2-CB 3.89Å; Y415-V419 HydrophobicContact CD2-CG1 4.23Å; Y415-V419 HydrophobicContact CD2-CG2 3.76Å; Y415-V419 HydrophobicContact CE2-CB 3.9Å; Y415-V419 HydrophobicContact CE2-CG1 3.71Å; Y415-V419 HydrophobicContact CE2-CG2 4.04Å; Y415-V419 HydrophobicContact CG-CB 4.26Å; Y415-V419 HydrophobicContact CG-CG2 4.38Å; Y415-V419 WeakPolarHBondContact O-CA 3.34Å; Y415-V419 VanDerWaalsContact O-CB 3.27Å; Y415-V419 WeakPolarHBondContact O-CB 3.24Å; Y415-V419 PolarHBondContact O-N 2.92Å |
| 420 | M | 88.8 | Confident | 89.2 | Confident | 75 Ų | 75 | 42.5 Ų | 42.5 | 37% | 0.369 | 22% | 0.222 | S | C | . | . | I | π-helix | trans | -78.6 | -28.3 | 179.5 | -60.1 | -160.7 | -70.2 | 0 | 0 | 112.9 | F334 Y415 I416 D422 L425 | F334-M420 HydrophobicContact CD1-CE 4.07Å; F334-M420 HydrophobicContact CD1-SD 4.49Å; F334-M420 HydrophobicContact CE1-CE 3.52Å; F334-M420 HydrophobicContact CE1-SD 4.47Å; F334-M420 HydrophobicContact CZ-CE 4.21Å; Y415-M420 HydrophobicContact CD1-CE 4.07Å; Y415-M420 HydrophobicContact CD1-CG 3.97Å; Y415-M420 HydrophobicContact CD1-SD 4.27Å; Y415-M420 HydrophobicContact CE1-CE 4.22Å; Y415-M420 HydrophobicContact CE1-CG 3.62Å; Y415-M420 HydrophobicContact CE1-SD 3.84Å; Y415-M420 PolarHBondContact O-N 2.99Å; I416-M420 HydrophobicContact CB-CE 3.92Å; I416-M420 HydrophobicContact CG1-CE 3.32Å; I416-M420 HydrophobicContact CG2-CE 4.15Å; I416-M420 CarbonylContact O-C 3.59Å; M420-D422 PolarHBondContact O-N 3.47Å; M420-L425 HydrophobicContact CE-CD2 3.76Å |
| 421 | Q | 89.8 | Confident | 88.9 | Confident | 102 Ų | 102 | 43.2 Ų | 43.2 | 48% | 0.477 | 23% | 0.228 | S | C | . | . | trans | 59.7 | 29.5 | 179.7 | -46.8 | -170.5 | -10.5 | 0 | 0 | 113.7 | I416 M575 | I416-Q421 PolarHBondContact O-N 2.7Å; Q421-M575 HydrophobicContact CB-CE 4.23Å; Q421-M575 HydrophobicContact CG-CE 3.45Å; Q421-M575 VanDerWaalsContact CG-CE 3.45Å | ||
| 422 | D | 87.8 | Confident | 88.5 | Confident | 70 Ų | 70 | 46.8 Ų | 46.8 | 37% | 0.374 | 25% | 0.248 | S | C | . | . | trans | -99.4 | 98.4 | 177.9 | -170.8 | -21.6 | 0 | 0 | 0 | 110.3 | I416 M420 V424 L425 L426 | I416-D422 WeakPolarHBondContact CG2-O 3.19Å; I416-D422 PolarHBondContact O-N 3.49Å; M420-D422 PolarHBondContact O-N 3.47Å; D422-V424 VanDerWaalsContact C-N 3.3Å; D422-V424 PolarHBondContact O-N 3.1Å; D422-V424 PolarHBondContact OD1-N 2.69Å; D422-L425 HydrophobicContact CB-CB 3.87Å; D422-L425 PolarHBondContact OD1-N 3.16Å; D422-L426 VanDerWaalsContact O-CB 3.3Å; D422-L426 WeakPolarHBondContact O-CB 3.46Å; D422-L426 PolarHBondContact O-N 3.4Å | ||
| 423 | M | 84.9 | Confident | 88.1 | Confident | 61 Ų | 61 | 49.7 Ų | 49.7 | 30% | 0.3 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -70.6 | -27.5 | -178.8 | -59.9 | -59.4 | 173.3 | 0 | 0 | 112.6 | L426 S427 V513 L572 | M423-L426 HydrophobicContact SD-CD2 4.18Å; M423-S427 WeakPolarHBondContact O-CB 3.32Å; M423-S427 PolarHBondContact O-N 3.42Å; M423-V513 HydrophobicContact SD-CG2 4.23Å; M423-L572 HydrophobicContact CE-CD2 3.87Å; M423-L572 HydrophobicContact SD-CD2 4.05Å |
| 424 | V | 84.5 | Confident | 87.7 | Confident | 94 Ų | 94 | 49.7 Ų | 49.7 | 57% | 0.57 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -72.7 | -49 | 178.5 | 179.7 | 0 | 0 | 0 | 0 | 109 | D422 L426 S427 Q428 | D422-V424 VanDerWaalsContact C-N 3.3Å; D422-V424 PolarHBondContact O-N 3.1Å; D422-V424 PolarHBondContact OD1-N 2.69Å; V424-L426 VanDerWaalsContact C-N 3.28Å; V424-L426 PolarHBondContact O-N 3.3Å; V424-S427 PolarHBondContact O-N 2.9Å; V424-Q428 WeakPolarHBondContact O-CB 3.49Å; V424-Q428 WeakPolarHBondContact O-CG 3.46Å; V424-Q428 PolarHBondContact O-N 2.96Å |
| 425 | L | 87.2 | Confident | 87.2 | Confident | 41 Ų | 41 | 51 Ų | 51 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 174.2 | -177.2 | 60.9 | 0 | 0 | 0 | 110.8 | I416 M420 D422 S427 Q428 S429 | I416-L425 HydrophobicContact CG1-CD2 4.42Å; I416-L425 HydrophobicContact CG2-CB 4.13Å; I416-L425 HydrophobicContact CG2-CD2 4.13Å; I416-L425 HydrophobicContact CG2-CG 4.04Å; M420-L425 HydrophobicContact CE-CD2 3.76Å; D422-L425 HydrophobicContact CB-CB 3.87Å; D422-L425 PolarHBondContact OD1-N 3.16Å; L425-S427 PolarHBondContact O-N 3.46Å; L425-Q428 PolarHBondContact O-N 3.26Å; L425-S429 VanDerWaalsContact O-CB 3.3Å; L425-S429 WeakPolarHBondContact O-CB 3.34Å; L425-S429 PolarHBondContact O-N 3.15Å; L425-S429 PolarHBondContact O-OG 2.86Å |
| 426 | L | 87.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.6 | -48.5 | 176.9 | -178.3 | 61.1 | 0 | 0 | 0 | 112.1 | L413 I416 A417 D422 M423 V424 L430 F510 V513 L572 | L413-L426 HydrophobicContact CB-CD1 4.12Å; L413-L426 HydrophobicContact CD2-CD1 3.99Å; I416-L426 HydrophobicContact CB-CD1 4.37Å; I416-L426 HydrophobicContact CG2-CB 3.83Å; I416-L426 HydrophobicContact CG2-CD1 4.38Å; A417-L426 HydrophobicContact CB-CD1 4.26Å; A417-L426 HydrophobicContact CB-CD2 3.71Å; D422-L426 VanDerWaalsContact O-CB 3.3Å; D422-L426 WeakPolarHBondContact O-CB 3.46Å; D422-L426 PolarHBondContact O-N 3.4Å; M423-L426 HydrophobicContact SD-CD2 4.18Å; V424-L426 VanDerWaalsContact C-N 3.28Å; V424-L426 PolarHBondContact O-N 3.3Å; L426-L430 WeakPolarHBondContact O-CB 3.13Å; L426-L430 PolarHBondContact O-N 3.02Å; L426-F510 HydrophobicContact CD1-CD1 4.2Å; L426-F510 HydrophobicContact CD1-CE1 4.16Å; L426-F510 HydrophobicContact CD2-CD1 4.14Å; L426-V513 HydrophobicContact CB-CG1 4.34Å; L426-V513 HydrophobicContact CD2-CB 4.31Å; L426-V513 HydrophobicContact CD2-CG1 3.96Å; L426-V513 HydrophobicContact CD2-CG2 3.88Å; L426-V513 HydrophobicContact CG-CG1 4.05Å; L426-L572 HydrophobicContact CD2-CD2 4.3Å |
| 427 | S | 86.1 | Confident | 86 | Confident | 32 Ų | 32 | 53.4 Ų | 53.4 | 22% | 0.224 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 178.8 | -172 | 0 | 0 | 0 | 0 | 111.6 | M423 V424 L425 L430 A431 | M423-S427 WeakPolarHBondContact O-CB 3.32Å; M423-S427 PolarHBondContact O-N 3.42Å; V424-S427 PolarHBondContact O-N 2.9Å; L425-S427 PolarHBondContact O-N 3.46Å; S427-L430 PolarHBondContact O-N 3.39Å; S427-A431 WeakPolarHBondContact O-CB 3.4Å; S427-A431 PolarHBondContact O-N 3.17Å |
| 428 | Q | 84.8 | Confident | 85.6 | Confident | 115 Ų | 115 | 54.3 Ų | 54.3 | 54% | 0.537 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.3 | -50.4 | 177 | -71.4 | 178.1 | -1 | 0 | 0 | 111.9 | V424 L425 L430 A431 T432 | V424-Q428 WeakPolarHBondContact O-CB 3.49Å; V424-Q428 WeakPolarHBondContact O-CG 3.46Å; V424-Q428 PolarHBondContact O-N 2.96Å; L425-Q428 PolarHBondContact O-N 3.26Å; Q428-L430 VanDerWaalsContact C-N 3.31Å; Q428-L430 PolarHBondContact O-N 3.25Å; Q428-A431 PolarHBondContact O-N 3.41Å; Q428-T432 WeakPolarHBondContact O-CB 3.05Å; Q428-T432 PolarHBondContact O-N 2.8Å; Q428-T432 PolarHBondContact O-OG1 2.9Å |
| 429 | S | 85.6 | Confident | 85.1 | Confident | 25 Ų | 25 | 56.8 Ų | 56.8 | 18% | 0.175 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 177.9 | -63.7 | 0 | 0 | 0 | 0 | 111.6 | L425 L433 | L425-S429 VanDerWaalsContact O-CB 3.3Å; L425-S429 WeakPolarHBondContact O-CB 3.34Å; L425-S429 PolarHBondContact O-N 3.15Å; L425-S429 PolarHBondContact O-OG 2.86Å; S429-L433 VanDerWaalsContact O-CB 3.29Å; S429-L433 WeakPolarHBondContact O-CB 3.35Å; S429-L433 WeakPolarHBondContact O-CG 3.3Å; S429-L433 PolarHBondContact O-N 2.85Å |
| 430 | L | 86.1 | Confident | 84.4 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.1 | -48 | 176.6 | 179.7 | 64.4 | 0 | 0 | 0 | 111.7 | L413 L426 S427 Q428 L433 L434 Y506 F510 Y514 | L413-L430 HydrophobicContact CD1-CD1 4.07Å; L426-L430 WeakPolarHBondContact O-CB 3.13Å; L426-L430 PolarHBondContact O-N 3.02Å; S427-L430 PolarHBondContact O-N 3.39Å; Q428-L430 VanDerWaalsContact C-N 3.31Å; Q428-L430 PolarHBondContact O-N 3.25Å; L430-L433 PolarHBondContact O-N 3.46Å; L430-L434 VanDerWaalsContact O-CB 3.29Å; L430-L434 WeakPolarHBondContact O-CB 3.3Å; L430-L434 PolarHBondContact O-N 3.09Å; L430-Y506 HydrophobicContact CD1-CD1 3.34Å; L430-Y506 HydrophobicContact CD1-CE1 4.12Å; L430-Y506 HydrophobicContact CD1-CG 4.09Å; L430-F510 HydrophobicContact CD1-CD2 4.31Å; L430-F510 HydrophobicContact CD2-CB 3.61Å; L430-F510 HydrophobicContact CD2-CG 4.32Å; L430-Y514 HydrophobicContact CD2-CD1 4.14Å; L430-Y514 HydrophobicContact CD2-CG 4.22Å; L430-Y514 HydrophobicContact CG-CD1 4.33Å |
| 431 | A | 85.3 | Confident | 84 | Confident | 15 Ų | 15 | 55.8 Ų | 55.8 | 12% | 0.124 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.4 | -45 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | S427 Q428 L434 I435 Y514 | S427-A431 WeakPolarHBondContact O-CB 3.4Å; S427-A431 PolarHBondContact O-N 3.17Å; Q428-A431 PolarHBondContact O-N 3.41Å; A431-L434 PolarHBondContact O-N 2.77Å; A431-I435 VanDerWaalsContact O-CB 3.28Å; A431-I435 WeakPolarHBondContact O-CB 3.4Å; A431-I435 WeakPolarHBondContact O-CD1 3.44Å; A431-I435 WeakPolarHBondContact O-CG1 3.25Å; A431-I435 PolarHBondContact O-N 2.95Å; A431-Y514 HydrophobicContact CB-CE1 4.1Å; A431-Y514 HydrophobicContact CB-CE2 4.2Å |
| 432 | T | 83.2 | Confident | 83.6 | Confident | 85 Ų | 85 | 53 Ų | 53 | 52% | 0.521 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.3 | -49.6 | 176.9 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | Q428 L434 I435 T436 | Q428-T432 WeakPolarHBondContact O-CB 3.05Å; Q428-T432 PolarHBondContact O-N 2.8Å; Q428-T432 PolarHBondContact O-OG1 2.9Å; T432-L434 PolarHBondContact O-N 3.35Å; T432-I435 PolarHBondContact O-N 2.98Å; T432-T436 WeakPolarHBondContact O-CB 3.29Å; T432-T436 PolarHBondContact O-N 3.36Å; T432-T436 PolarHBondContact O-OG1 3.3Å |
| 433 | L | 81.8 | Confident | 83.3 | Confident | 69 Ų | 69 | 54.5 Ų | 54.5 | 36% | 0.361 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.8 | -46.5 | 178.6 | -75 | 172 | 0 | 0 | 0 | 111.5 | L413 S429 L430 S437 | L413-L433 HydrophobicContact CD1-CD1 4.36Å; L413-L433 HydrophobicContact CD2-CD1 4.04Å; L413-L433 HydrophobicContact CG-CD1 4.29Å; S429-L433 VanDerWaalsContact O-CB 3.29Å; S429-L433 WeakPolarHBondContact O-CB 3.35Å; S429-L433 WeakPolarHBondContact O-CG 3.3Å; S429-L433 PolarHBondContact O-N 2.85Å; L430-L433 PolarHBondContact O-N 3.46Å; L433-S437 WeakPolarHBondContact O-CB 3.47Å; L433-S437 PolarHBondContact O-N 2.78Å |
| 434 | L | 83.3 | Confident | 83 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.4 | -52.4 | -179.5 | -163.8 | 88.6 | 0 | 0 | 0 | 111.1 | L430 A431 T432 Q438 L503 Y506 L520 V521 | L430-L434 VanDerWaalsContact O-CB 3.29Å; L430-L434 WeakPolarHBondContact O-CB 3.3Å; L430-L434 PolarHBondContact O-N 3.09Å; A431-L434 PolarHBondContact O-N 2.77Å; T432-L434 PolarHBondContact O-N 3.35Å; L434-Q438 WeakPolarHBondContact O-CB 3.2Å; L434-Q438 WeakPolarHBondContact O-CG 3.35Å; L434-Q438 PolarHBondContact O-N 3.47Å; L434-Q438 PolarHBondContact O-NE2 3.34Å; L434-L503 HydrophobicContact CD1-CD2 4.05Å; L434-Y506 HydrophobicContact CD1-CD2 3.54Å; L434-Y506 HydrophobicContact CD1-CE2 4.34Å; L434-Y506 HydrophobicContact CD1-CG 3.78Å; L434-L520 HydrophobicContact CD2-CB 3.47Å; L434-L520 VanDerWaalsContact CD2-CB 3.47Å; L434-L520 HydrophobicContact CD2-CD1 3.63Å; L434-L520 HydrophobicContact CD2-CG 4.18Å; L434-V521 HydrophobicContact CD1-CG2 4.19Å; L434-V521 HydrophobicContact CD2-CG2 4.41Å |
| 435 | I | 84.6 | Confident | 82.5 | Confident | 71 Ų | 71 | 54.5 Ų | 54.5 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.7 | -48.1 | -176.8 | -66.4 | 167.5 | 0 | 0 | 0 | 110.8 | A431 T432 Q438 I439 L520 | A431-I435 VanDerWaalsContact O-CB 3.28Å; A431-I435 WeakPolarHBondContact O-CB 3.4Å; A431-I435 WeakPolarHBondContact O-CD1 3.44Å; A431-I435 WeakPolarHBondContact O-CG1 3.25Å; A431-I435 PolarHBondContact O-N 2.95Å; T432-I435 PolarHBondContact O-N 2.98Å; I435-Q438 PolarHBondContact O-N 2.97Å; I435-I439 HydrophobicContact CG2-CD1 3.69Å; I435-I439 HydrophobicContact CG2-CG1 4.45Å; I435-I439 WeakPolarHBondContact O-CB 3.15Å; I435-I439 VanDerWaalsContact O-CG1 3.27Å; I435-I439 WeakPolarHBondContact O-CG1 3.38Å; I435-I439 PolarHBondContact O-N 3.01Å; I435-L520 HydrophobicContact CD1-CD1 4.25Å; I435-L520 HydrophobicContact CG1-CD1 3.88Å |
| 436 | T | 80.6 | Confident | 81.7 | Confident | 70 Ų | 70 | 53.7 Ų | 53.7 | 43% | 0.429 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.3 | -44.3 | -178.7 | -60 | 0 | 0 | 0 | 0 | 110.9 | T432 I439 L440 | T432-T436 WeakPolarHBondContact O-CB 3.29Å; T432-T436 PolarHBondContact O-N 3.36Å; T432-T436 PolarHBondContact O-OG1 3.3Å; T436-I439 PolarHBondContact O-N 3.43Å; T436-L440 HydrophobicContact CG2-CD1 3.87Å; T436-L440 HydrophobicContact CG2-CG 4.4Å; T436-L440 WeakPolarHBondContact O-CB 3.06Å; T436-L440 VanDerWaalsContact O-CG 3.27Å; T436-L440 WeakPolarHBondContact O-CG 3.1Å; T436-L440 PolarHBondContact O-N 3.04Å |
| 437 | S | 78.4 | Confident | 81.1 | Confident | 41 Ų | 41 | 59.2 Ų | 59.2 | 29% | 0.287 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 176.1 | -173.4 | 0 | 0 | 0 | 0 | 111.4 | L433 I439 L440 N441 | L433-S437 WeakPolarHBondContact O-CB 3.47Å; L433-S437 PolarHBondContact O-N 2.78Å; S437-I439 PolarHBondContact O-N 3.25Å; S437-L440 PolarHBondContact O-N 3.05Å; S437-N441 VanDerWaalsContact O-CB 3.27Å; S437-N441 WeakPolarHBondContact O-CB 3.3Å; S437-N441 PolarHBondContact O-N 3.3Å; S437-N441 PolarHBondContact O-ND2 3.45Å; S437-N441 PolarHBondContact O-OD1 3.24Å; S437-N441 PolarHBondContact OG-ND2 2.99Å |
| 438 | Q | 82.4 | Confident | 80.8 | Confident | 19 Ų | 19 | 60.1 Ų | 60.1 | 9% | 0.089 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 179.4 | -70.4 | -15.3 | -66.5 | 0 | 0 | 112.2 | L434 I435 Q442 L503 N524 | L434-Q438 WeakPolarHBondContact O-CB 3.2Å; L434-Q438 WeakPolarHBondContact O-CG 3.35Å; L434-Q438 PolarHBondContact O-N 3.47Å; L434-Q438 PolarHBondContact O-NE2 3.34Å; I435-Q438 PolarHBondContact O-N 2.97Å; Q438-Q442 VanDerWaalsContact O-CB 3.23Å; Q438-Q442 WeakPolarHBondContact O-CB 3.31Å; Q438-Q442 PolarHBondContact O-N 2.81Å; Q438-L503 VanDerWaalsContact NE2-CD2 3.29Å; Q438-N524 HydrophobicContact CG-CB 4.16Å; Q438-N524 PolarHBondContact OE1-ND2 2.91Å; Q438-N524 VanDerWaalsContact OE1-ND2 3.13Å; Q438-N524 PolarHBondContact OE1-OD1 3.38Å; Q438-N524 VanDerWaalsContact OE1-OD1 3.08Å |
| 439 | I | 81.7 | Confident | 80.3 | Confident | 113 Ų | 113 | 55.8 Ų | 55.8 | 58% | 0.579 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.3 | -44.2 | 177.9 | -70 | 170.4 | 0 | 0 | 0 | 110.9 | I435 T436 S437 F443 | I435-I439 HydrophobicContact CG2-CD1 3.69Å; I435-I439 HydrophobicContact CG2-CG1 4.45Å; I435-I439 WeakPolarHBondContact O-CB 3.15Å; I435-I439 VanDerWaalsContact O-CG1 3.27Å; I435-I439 WeakPolarHBondContact O-CG1 3.38Å; I435-I439 PolarHBondContact O-N 3.01Å; T436-I439 PolarHBondContact O-N 3.43Å; S437-I439 PolarHBondContact O-N 3.25Å; I439-F443 WeakPolarHBondContact O-CB 3.4Å; I439-F443 PolarHBondContact O-N 2.77Å |
| 440 | L | 79.4 | Confident | 79.7 | Confident | 102 Ų | 102 | 59.5 Ų | 59.5 | 53% | 0.534 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66 | -45.2 | 179.2 | -72.1 | 174.4 | 0 | 0 | 0 | 111.5 | T436 S437 F443 M444 | T436-L440 HydrophobicContact CG2-CD1 3.87Å; T436-L440 HydrophobicContact CG2-CG 4.4Å; T436-L440 WeakPolarHBondContact O-CB 3.06Å; T436-L440 VanDerWaalsContact O-CG 3.27Å; T436-L440 WeakPolarHBondContact O-CG 3.1Å; T436-L440 PolarHBondContact O-N 3.04Å; S437-L440 PolarHBondContact O-N 3.05Å; L440-F443 PolarHBondContact O-N 2.74Å; L440-M444 WeakPolarHBondContact O-CB 3.49Å; L440-M444 WeakPolarHBondContact O-CG 3.29Å; L440-M444 PolarHBondContact O-N 2.78Å |
| 441 | N | 79.4 | Confident | 79.4 | Confident | 45 Ų | 45 | 65.2 Ų | 65.2 | 24% | 0.241 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.3 | -51.1 | 177 | -70.1 | -5.6 | 0 | 0 | 0 | 110.1 | S437 F443 M444 E445 | S437-N441 VanDerWaalsContact O-CB 3.27Å; S437-N441 WeakPolarHBondContact O-CB 3.3Å; S437-N441 PolarHBondContact O-N 3.3Å; S437-N441 PolarHBondContact O-ND2 3.45Å; S437-N441 PolarHBondContact O-OD1 3.24Å; S437-N441 PolarHBondContact OG-ND2 2.99Å; N441-F443 PolarHBondContact O-N 2.91Å; N441-F443 VanDerWaalsContact O-N 3.14Å; N441-M444 CarbonylContact O-C 3.4Å; N441-M444 PolarHBondContact O-N 2.96Å; N441-E445 VanDerWaalsContact O-CB 3.24Å; N441-E445 WeakPolarHBondContact O-CB 2.93Å; N441-E445 VanDerWaalsContact O-CG 3.28Å; N441-E445 WeakPolarHBondContact O-CG 3.48Å; N441-E445 PolarHBondContact O-N 2.7Å |
| 442 | Q | 80.6 | Confident | 79.1 | Confident | 44 Ų | 44 | 68.5 Ų | 68.5 | 21% | 0.206 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.2 | -36.6 | 178.9 | -166.4 | 70.6 | 83.5 | 0 | 0 | 112.5 | Q438 A446 F447 T527 | Q438-Q442 VanDerWaalsContact O-CB 3.23Å; Q438-Q442 WeakPolarHBondContact O-CB 3.31Å; Q438-Q442 PolarHBondContact O-N 2.81Å; Q442-A446 WeakPolarHBondContact O-CB 3.17Å; Q442-A446 PolarHBondContact O-N 3.3Å; Q442-F447 PolarHBondContact O-N 2.97Å; Q442-T527 PolarHBondContact OE1-OG1 2.9Å |
| 443 | F | 82.4 | Confident | 78.5 | Confident | 100 Ų | 100 | 65.7 Ų | 65.7 | 44% | 0.439 | 33% | 0.326 | S | S | . | . | I | π-helix | trans | -66.5 | -48.3 | 174.6 | 180 | -94.7 | 0 | 0 | 0 | 112.1 | I439 L440 N441 E445 F447 L448 | I439-F443 WeakPolarHBondContact O-CB 3.4Å; I439-F443 PolarHBondContact O-N 2.77Å; L440-F443 PolarHBondContact O-N 2.74Å; N441-F443 PolarHBondContact O-N 2.91Å; N441-F443 VanDerWaalsContact O-N 3.14Å; F443-E445 VanDerWaalsContact C-N 3.31Å; F443-E445 PolarHBondContact O-N 3.31Å; F443-F447 HydrophobicContact CD2-CB 4.04Å; F443-F447 AromaticContact CD2-CD1 3.63Å; F443-F447 HydrophobicContact CD2-CD1 3.63Å; F443-F447 HydrophobicContact CD2-CE1 4.41Å; F443-F447 HydrophobicContact CD2-CG 4.07Å; F443-F447 AromaticContact CE2-CD1 3.23Å; F443-F447 HydrophobicContact CE2-CD1 3.23Å; F443-F447 AromaticContact CE2-CE1 3.66Å; F443-F447 HydrophobicContact CE2-CE1 3.66Å; F443-F447 HydrophobicContact CE2-CG 4.11Å; F443-F447 AromaticContact CZ-CD1 3.97Å; F443-F447 HydrophobicContact CZ-CD1 3.97Å; F443-F447 HydrophobicContact CZ-CE1 4.33Å; F443-F447 PolarHBondContact O-N 2.84Å; F443-L448 HydrophobicContact CE1-CB 4.48Å; F443-L448 WeakPolarHBondContact O-CB 3.46Å; F443-L448 PolarHBondContact O-N 2.97Å |
| 444 | M | 78.7 | Confident | 78.1 | Confident | 112 Ų | 112 | 70.1 Ų | 70.1 | 55% | 0.552 | 34% | 0.338 | S | S | * | . | I | π-helix | trans | -69.7 | -28.9 | -178.6 | -69.7 | -62.3 | -80.4 | 0 | 0 | 112.7 | L440 N441 L448 P449 | L440-M444 WeakPolarHBondContact O-CB 3.49Å; L440-M444 WeakPolarHBondContact O-CG 3.29Å; L440-M444 PolarHBondContact O-N 2.78Å; N441-M444 CarbonylContact O-C 3.4Å; N441-M444 PolarHBondContact O-N 2.96Å; M444-L448 HydrophobicContact CE-CD2 4.23Å; M444-L448 HydrophobicContact SD-CD2 3.82Å; M444-P449 WeakPolarHBondContact O-CD 3.15Å; M444-P449 WeakPolarHBondContact O-CG 3.36Å |
| 445 | E | 73 | Confident | 77.8 | Confident | 43 Ų | 43 | 76.5 Ų | 76.5 | 20% | 0.201 | 36% | 0.362 | C | S | . | . | I | π-helix | trans | -99.5 | -38.9 | -172.1 | -66.2 | -165.6 | -167.8 | 0 | 0 | 114 | N441 F443 P449 K535 | N441-E445 VanDerWaalsContact O-CB 3.24Å; N441-E445 WeakPolarHBondContact O-CB 2.93Å; N441-E445 VanDerWaalsContact O-CG 3.28Å; N441-E445 WeakPolarHBondContact O-CG 3.48Å; N441-E445 PolarHBondContact O-N 2.7Å; F443-E445 VanDerWaalsContact C-N 3.31Å; F443-E445 PolarHBondContact O-N 3.31Å; E445-P449 WeakPolarHBondContact O-CG 3.35Å; E445-K535 HydrophobicContact CB-CD 4.33Å; E445-K535 WeakPolarHBondContact O-CD 3.45Å; E445-K535 WeakPolarHBondContact O-CG 3.37Å; E445-K535 IonicContact OE2-NZ 2.8Å; E445-K535 PolarHBondContact OE2-NZ 3.35Å |
| 446 | A | 70.1 | Confident | 77.1 | Confident | 25 Ų | 25 | 76.8 Ų | 76.8 | 21% | 0.207 | 36% | 0.358 | C | S | . | . | I | π-helix | trans | -100.8 | -54.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q442 Y450 | Q442-A446 WeakPolarHBondContact O-CB 3.17Å; Q442-A446 PolarHBondContact O-N 3.3Å; A446-Y450 WeakPolarHBondContact O-CB 3.38Å; A446-Y450 PolarHBondContact O-N 2.93Å |
| 447 | F | 75.3 | Confident | 76.5 | Confident | 115 Ų | 115 | 76.6 Ų | 76.6 | 50% | 0.504 | 36% | 0.355 | S | S | . | . | I | π-helix | trans | -73.3 | -50.8 | -167.5 | -177.2 | -93.8 | 0 | 0 | 0 | 112.6 | Q442 F443 Y450 W451 | Q442-F447 PolarHBondContact O-N 2.97Å; F443-F447 HydrophobicContact CD2-CB 4.04Å; F443-F447 AromaticContact CD2-CD1 3.63Å; F443-F447 HydrophobicContact CD2-CD1 3.63Å; F443-F447 HydrophobicContact CD2-CE1 4.41Å; F443-F447 HydrophobicContact CD2-CG 4.07Å; F443-F447 AromaticContact CE2-CD1 3.23Å; F443-F447 HydrophobicContact CE2-CD1 3.23Å; F443-F447 AromaticContact CE2-CE1 3.66Å; F443-F447 HydrophobicContact CE2-CE1 3.66Å; F443-F447 HydrophobicContact CE2-CG 4.11Å; F443-F447 AromaticContact CZ-CD1 3.97Å; F443-F447 HydrophobicContact CZ-CD1 3.97Å; F443-F447 HydrophobicContact CZ-CE1 4.33Å; F443-F447 PolarHBondContact O-N 2.84Å; F447-Y450 PolarHBondContact O-N 3.25Å; F447-W451 VanDerWaalsContact O-CB 3.31Å; F447-W451 WeakPolarHBondContact O-CB 3.49Å; F447-W451 PolarHBondContact O-N 3.15Å |
| 448 | L | 80.9 | Confident | 76.1 | Confident | 52 Ų | 52 | 80.5 Ų | 80.5 | 27% | 0.272 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.7 | -48.5 | -176.9 | 177.5 | 67.3 | 0 | 0 | 0 | 111.7 | F443 M444 W451 L452 | F443-L448 HydrophobicContact CE1-CB 4.48Å; F443-L448 WeakPolarHBondContact O-CB 3.46Å; F443-L448 PolarHBondContact O-N 2.97Å; M444-L448 HydrophobicContact CE-CD2 4.23Å; M444-L448 HydrophobicContact SD-CD2 3.82Å; L448-W451 PolarHBondContact O-N 3.05Å; L448-L452 HydrophobicContact CD1-CD1 3.97Å; L448-L452 HydrophobicContact CD1-CG 4.08Å; L448-L452 HydrophobicContact CG-CD1 3.96Å; L448-L452 HydrophobicContact CG-CG 4.44Å; L448-L452 WeakPolarHBondContact O-CB 3.35Å; L448-L452 VanDerWaalsContact O-CG 3.3Å; L448-L452 WeakPolarHBondContact O-CG 2.92Å; L448-L452 PolarHBondContact O-N 3.15Å |
| 449 | P | 74.4 | Confident | 75.4 | Confident | 23 Ų | 23 | 85.5 Ų | 85.5 | 15% | 0.149 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.6 | -41 | 178.6 | -23.8 | 38.6 | 0 | 0 | 0 | 111.8 | M444 E445 W451 L452 Q453 V539 | M444-P449 WeakPolarHBondContact O-CD 3.15Å; M444-P449 WeakPolarHBondContact O-CG 3.36Å; E445-P449 WeakPolarHBondContact O-CG 3.35Å; P449-W451 VanDerWaalsContact C-N 3.33Å; P449-W451 PolarHBondContact O-N 3.37Å; P449-L452 PolarHBondContact O-N 3.31Å; P449-Q453 WeakPolarHBondContact O-CB 3.17Å; P449-Q453 PolarHBondContact O-N 3.24Å; P449-V539 HydrophobicContact CB-CB 4.47Å; P449-V539 HydrophobicContact CB-CG1 3.98Å; P449-V539 HydrophobicContact CB-CG2 3.64Å |
| 450 | Y | 73.3 | Confident | 74.5 | Confident | 103 Ų | 103 | 82 Ų | 82 | 40% | 0.404 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.4 | -45.7 | 173.9 | 175.6 | -89.8 | 0 | 0 | 0 | 111.8 | A446 F447 R454 F534 | A446-Y450 WeakPolarHBondContact O-CB 3.38Å; A446-Y450 PolarHBondContact O-N 2.93Å; F447-Y450 PolarHBondContact O-N 3.25Å; Y450-R454 VanDerWaalsContact O-CB 3.25Å; Y450-R454 WeakPolarHBondContact O-CB 3.37Å; Y450-R454 PolarHBondContact O-N 2.87Å; Y450-F534 AromaticContact CD2-CE1 3.86Å; Y450-F534 HydrophobicContact CD2-CE1 3.86Å; Y450-F534 AromaticContact CD2-CE2 3.75Å; Y450-F534 HydrophobicContact CD2-CE2 3.75Å; Y450-F534 AromaticContact CD2-CZ 3.36Å; Y450-F534 HydrophobicContact CD2-CZ 3.36Å; Y450-F534 HydrophobicContact CE2-CE2 4.21Å; Y450-F534 HydrophobicContact CE2-CZ 4.16Å; Y450-F534 HydrophobicContact CG-CE1 4.36Å; Y450-F534 HydrophobicContact CG-CZ 4.2Å |
| 451 | W | 78.9 | Confident | 73.7 | Confident | 122 Ų | 122 | 81.7 Ų | 81.7 | 46% | 0.462 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.9 | -46.7 | 180 | 179.8 | 83.9 | 0 | 0 | 0 | 112.2 | F447 L448 P449 R454 R455 | F447-W451 VanDerWaalsContact O-CB 3.31Å; F447-W451 WeakPolarHBondContact O-CB 3.49Å; F447-W451 PolarHBondContact O-N 3.15Å; L448-W451 PolarHBondContact O-N 3.05Å; P449-W451 VanDerWaalsContact C-N 3.33Å; P449-W451 PolarHBondContact O-N 3.37Å; W451-R454 PolarHBondContact O-N 3.43Å; W451-R455 WeakPolarHBondContact O-CB 3.45Å; W451-R455 PolarHBondContact O-N 2.93Å |
| 452 | L | 77.8 | Confident | 73.1 | Confident | 84 Ų | 84 | 86.9 Ų | 86.9 | 44% | 0.44 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 176 | -72.2 | 175.5 | 0 | 0 | 0 | 111.1 | L448 P449 R455 R456 | L448-L452 HydrophobicContact CD1-CD1 3.97Å; L448-L452 HydrophobicContact CD1-CG 4.08Å; L448-L452 HydrophobicContact CG-CD1 3.96Å; L448-L452 HydrophobicContact CG-CG 4.44Å; L448-L452 WeakPolarHBondContact O-CB 3.35Å; L448-L452 VanDerWaalsContact O-CG 3.3Å; L448-L452 WeakPolarHBondContact O-CG 2.92Å; L448-L452 PolarHBondContact O-N 3.15Å; P449-L452 PolarHBondContact O-N 3.31Å; L452-R455 PolarHBondContact O-N 3.46Å; L452-R456 WeakPolarHBondContact O-CB 3.49Å; L452-R456 PolarHBondContact O-N 3.34Å |
| 453 | Q | 70.9 | Confident | 72.2 | Confident | 25 Ų | 25 | 90.3 Ų | 90.3 | 12% | 0.117 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63 | -44.8 | 177.6 | -174.4 | 63.6 | 0.9 | 0 | 0 | 111.3 | P449 R455 R456 N457 H538 | P449-Q453 WeakPolarHBondContact O-CB 3.17Å; P449-Q453 PolarHBondContact O-N 3.24Å; Q453-R455 VanDerWaalsContact C-N 3.31Å; Q453-R455 PolarHBondContact O-N 2.9Å; Q453-R456 PolarHBondContact O-N 2.83Å; Q453-N457 WeakPolarHBondContact O-CB 3.48Å; Q453-N457 PolarHBondContact O-N 3.13Å; Q453-H538 HydrophobicContact CG-CB 4.42Å; Q453-H538 PolarHBondContact NE2-O 2.89Å; Q453-H538 PolarHBondContact OE1-O 2.94Å |
| 454 | R | 74.2 | Confident | 71.1 | Confident | 163 Ų | 163 | 86.4 Ų | 86.4 | 62% | 0.615 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -61.7 | -39.7 | 175.9 | -171.6 | 171.9 | -177.2 | 177.8 | -1.4 | 111.7 | Y450 W451 K458 | Y450-R454 VanDerWaalsContact O-CB 3.25Å; Y450-R454 WeakPolarHBondContact O-CB 3.37Å; Y450-R454 PolarHBondContact O-N 2.87Å; W451-R454 PolarHBondContact O-N 3.43Å; R454-K458 VanDerWaalsContact O-CB 3.29Å; R454-K458 WeakPolarHBondContact O-CB 3.5Å; R454-K458 PolarHBondContact O-N 2.8Å |
| 455 | R | 77.7 | Confident | 70.2 | Confident | 135 Ų | 135 | 87.5 Ų | 87.5 | 51% | 0.509 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.5 | -41 | 175.5 | -167.4 | 178.2 | -178.1 | -168.2 | 0.3 | 111.5 | W451 L452 Q453 K459 | W451-R455 WeakPolarHBondContact O-CB 3.45Å; W451-R455 PolarHBondContact O-N 2.93Å; L452-R455 PolarHBondContact O-N 3.46Å; Q453-R455 VanDerWaalsContact C-N 3.31Å; Q453-R455 PolarHBondContact O-N 2.9Å; R455-K459 WeakPolarHBondContact O-CG 3.49Å; R455-K459 PolarHBondContact O-N 3.16Å; R455-K459 VanDerWaalsContact O-N 3.09Å |
| 456 | R | 69.6 | Low | 69.6 | Low | 77 Ų | 77 | 94.5 Ų | 94.5 | 29% | 0.291 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66 | -50.1 | 176.8 | -171.9 | 175.6 | 176.4 | 165.8 | -3.8 | 111.8 | L452 Q453 K458 K459 M460 L483 D486 | L452-R456 WeakPolarHBondContact O-CB 3.49Å; L452-R456 PolarHBondContact O-N 3.34Å; Q453-R456 PolarHBondContact O-N 2.83Å; R456-K458 VanDerWaalsContact C-N 3.31Å; R456-K458 PolarHBondContact O-N 3.32Å; R456-K459 WeakPolarHBondContact O-CB 3.38Å; R456-K459 PolarHBondContact O-N 3.01Å; R456-M460 WeakPolarHBondContact O-CG 3.42Å; R456-M460 PolarHBondContact O-N 3.26Å; R456-L483 PolarHBondContact NH2-O 3.33Å; R456-D486 PolarHBondContact NH1-O 2.52Å; R456-D486 PolarHBondContact NH2-O 2.68Å |
| 457 | N | 66.5 | Low | 68.9 | Low | 66 Ų | 66 | 98 Ų | 98 | 35% | 0.353 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.8 | -40.5 | 175 | -75.8 | -12.3 | 0 | 0 | 0 | 111.8 | Q453 K459 M460 I461 | Q453-N457 WeakPolarHBondContact O-CB 3.48Å; Q453-N457 PolarHBondContact O-N 3.13Å; N457-K459 PolarHBondContact O-N 3.41Å; N457-M460 PolarHBondContact O-N 2.97Å; N457-I461 VanDerWaalsContact O-CB 3.3Å; N457-I461 WeakPolarHBondContact O-CB 3.47Å; N457-I461 WeakPolarHBondContact O-CG1 3.31Å; N457-I461 PolarHBondContact O-N 3.39Å |
| 458 | K | 70.2 | Confident | 67.8 | Low | 123 Ų | 123 | 98.3 Ų | 98.3 | 54% | 0.535 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.1 | -36.8 | 175.3 | -165.7 | 174.5 | -174 | 177.2 | 0 | 112.5 | R454 R456 R462 | R454-K458 VanDerWaalsContact O-CB 3.29Å; R454-K458 WeakPolarHBondContact O-CB 3.5Å; R454-K458 PolarHBondContact O-N 2.8Å; R456-K458 VanDerWaalsContact C-N 3.31Å; R456-K458 PolarHBondContact O-N 3.32Å; K458-R462 WeakPolarHBondContact O-CB 3.44Å; K458-R462 WeakPolarHBondContact O-CD 3.49Å; K458-R462 WeakPolarHBondContact O-CG 3.26Å; K458-R462 PolarHBondContact O-N 2.76Å |
| 459 | K | 69.2 | Low | 66.4 | Low | 123 Ų | 123 | 100.7 Ų | 100.7 | 54% | 0.535 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.1 | -42.6 | 173.2 | -75.3 | -179.3 | -179.7 | -178.4 | 0 | 111.6 | R455 R456 N457 R462 K463 | R455-K459 WeakPolarHBondContact O-CG 3.49Å; R455-K459 PolarHBondContact O-N 3.16Å; R455-K459 VanDerWaalsContact O-N 3.09Å; R456-K459 WeakPolarHBondContact O-CB 3.38Å; R456-K459 PolarHBondContact O-N 3.01Å; N457-K459 PolarHBondContact O-N 3.41Å; K459-R462 PolarHBondContact O-N 3.2Å; K459-K463 WeakPolarHBondContact O-CG 3.27Å; K459-K463 PolarHBondContact O-N 2.94Å |
| 460 | M | 61.7 | Low | 64.7 | Low | 41 Ų | 41 | 106.1 Ų | 106.1 | 20% | 0.202 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -68.2 | -48.9 | 179.6 | -72.3 | -55.9 | -54.7 | 0 | 0 | 112.2 | R456 N457 R462 K463 V464 L483 | R456-M460 WeakPolarHBondContact O-CG 3.42Å; R456-M460 PolarHBondContact O-N 3.26Å; N457-M460 PolarHBondContact O-N 2.97Å; M460-R462 PolarHBondContact O-N 2.95Å; M460-K463 CarbonylContact O-C 3.6Å; M460-K463 WeakPolarHBondContact O-CA 3.46Å; M460-K463 WeakPolarHBondContact O-CB 3.23Å; M460-K463 PolarHBondContact O-N 3.44Å; M460-K463 HydrophobicContact SD-CD 4.41Å; M460-V464 WeakPolarHBondContact O-CB 3.48Å; M460-V464 VanDerWaalsContact O-CG2 3.23Å; M460-V464 WeakPolarHBondContact O-CG2 3.21Å; M460-V464 PolarHBondContact O-N 3.01Å; M460-L483 HydrophobicContact CB-CD2 4.5Å; M460-L483 HydrophobicContact CE-CD1 4.28Å; M460-L483 HydrophobicContact CE-CD2 3.45Å; M460-L483 VanDerWaalsContact CE-CD2 3.45Å; M460-L483 HydrophobicContact CE-CG 3.97Å; M460-L483 HydrophobicContact CG-CD2 3.7Å; M460-L483 HydrophobicContact SD-CD2 3.86Å |
| 461 | I | 63.5 | Low | 63.5 | Low | 95 Ų | 95 | 104.4 Ų | 104.4 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -56.2 | -39.6 | 174.7 | -69.1 | 166.4 | 0 | 0 | 0 | 110.7 | N457 Q465 | N457-I461 VanDerWaalsContact O-CB 3.3Å; N457-I461 WeakPolarHBondContact O-CB 3.47Å; N457-I461 WeakPolarHBondContact O-CG1 3.31Å; N457-I461 PolarHBondContact O-N 3.39Å; I461-Q465 HydrophobicContact CG2-CG 4.2Å; I461-Q465 WeakPolarHBondContact O-CB 3.28Å; I461-Q465 WeakPolarHBondContact O-CG 3.21Å; I461-Q465 PolarHBondContact O-N 3.38Å |
| 462 | R | 66.2 | Low | 62.1 | Low | 154 Ų | 154 | 103.6 Ų | 103.6 | 58% | 0.581 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.2 | -39.5 | 174 | -76.7 | 172.3 | 176 | -175.5 | -5.5 | 112.9 | K458 K459 M460 K466 | K458-R462 WeakPolarHBondContact O-CB 3.44Å; K458-R462 WeakPolarHBondContact O-CD 3.49Å; K458-R462 WeakPolarHBondContact O-CG 3.26Å; K458-R462 PolarHBondContact O-N 2.76Å; K459-R462 PolarHBondContact O-N 3.2Å; M460-R462 PolarHBondContact O-N 2.95Å; R462-K466 VanDerWaalsContact O-CB 3.29Å; R462-K466 WeakPolarHBondContact O-CB 3.09Å; R462-K466 PolarHBondContact O-N 3.26Å |
| 463 | K | 62.2 | Low | 60.8 | Low | 116 Ų | 116 | 109.1 Ų | 109.1 | 50% | 0.504 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.7 | -44.5 | 175.5 | -76.6 | -174.7 | 175.7 | -169.9 | 0 | 111.6 | K459 M460 K466 K467 | K459-K463 WeakPolarHBondContact O-CG 3.27Å; K459-K463 PolarHBondContact O-N 2.94Å; M460-K463 CarbonylContact O-C 3.6Å; M460-K463 WeakPolarHBondContact O-CA 3.46Å; M460-K463 WeakPolarHBondContact O-CB 3.23Å; M460-K463 PolarHBondContact O-N 3.44Å; M460-K463 HydrophobicContact SD-CD 4.41Å; K463-K466 PolarHBondContact O-N 2.75Å; K463-K467 WeakPolarHBondContact O-CG 3.13Å; K463-K467 PolarHBondContact O-N 3.04Å |
| 464 | V | 57.9 | Low | 60.1 | Low | 18 Ų | 18 | 114.4 Ų | 114.4 | 11% | 0.109 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -65 | -49.4 | 177.7 | 174.4 | 0 | 0 | 0 | 0 | 111 | M460 K466 K467 R468 L475 E479 | M460-V464 WeakPolarHBondContact O-CB 3.48Å; M460-V464 VanDerWaalsContact O-CG2 3.23Å; M460-V464 WeakPolarHBondContact O-CG2 3.21Å; M460-V464 PolarHBondContact O-N 3.01Å; V464-K466 VanDerWaalsContact C-N 3.27Å; V464-K466 PolarHBondContact O-N 3.22Å; V464-K467 CarbonylContact O-C 3.58Å; V464-K467 WeakPolarHBondContact O-CA 3.45Å; V464-K467 PolarHBondContact O-N 3.02Å; V464-R468 HydrophobicContact CG1-CG 4.1Å; V464-R468 WeakPolarHBondContact O-CB 3.4Å; V464-R468 PolarHBondContact O-N 2.95Å; V464-L475 HydrophobicContact CB-CD2 4.39Å; V464-L475 HydrophobicContact CG1-CD2 3.76Å; V464-L475 HydrophobicContact CG2-CD2 3.65Å; V464-E479 WeakPolarHBondContact CG2-OE1 3.35Å |
| 465 | Q | 61.2 | Low | 59.6 | Low | 134 Ų | 134 | 109 Ų | 109 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.6 | -33.6 | 178.9 | -82.5 | 177.8 | -33.9 | 0 | 0 | 112.5 | I461 K467 | I461-Q465 HydrophobicContact CG2-CG 4.2Å; I461-Q465 WeakPolarHBondContact O-CB 3.28Å; I461-Q465 WeakPolarHBondContact O-CG 3.21Å; I461-Q465 PolarHBondContact O-N 3.38Å; Q465-K467 PolarHBondContact O-N 2.91Å |
| 466 | K | 59 | Low | 59.5 | Low | 191 Ų | 191 | 105.3 Ų | 105.3 | 83% | 0.83 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -17.9 | 174.8 | -163.1 | 176.4 | -177.6 | -175.6 | 0 | 112.7 | R462 K463 V464 | R462-K466 VanDerWaalsContact O-CB 3.29Å; R462-K466 WeakPolarHBondContact O-CB 3.09Å; R462-K466 PolarHBondContact O-N 3.26Å; K463-K466 PolarHBondContact O-N 2.75Å; V464-K466 VanDerWaalsContact C-N 3.27Å; V464-K466 PolarHBondContact O-N 3.22Å |
| 467 | K | 56.7 | Low | 60.1 | Low | 99 Ų | 99 | 104 Ų | 104 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | -1.6 | -174.5 | -66.5 | -178.1 | 176.3 | -170 | 0 | 113.8 | E59 K463 V464 Q465 | E59-K467 IonicContact OE1-NZ 3.43Å; E59-K467 PolarHBondContact OE1-NZ 3.46Å; K463-K467 WeakPolarHBondContact O-CG 3.13Å; K463-K467 PolarHBondContact O-N 3.04Å; V464-K467 CarbonylContact O-C 3.58Å; V464-K467 WeakPolarHBondContact O-CA 3.45Å; V464-K467 PolarHBondContact O-N 3.02Å; Q465-K467 PolarHBondContact O-N 2.91Å |
| 468 | R | 51.9 | Low | 60.6 | Low | 120 Ų | 120 | 101.5 Ų | 101.5 | 45% | 0.453 | 50% | 0.503 | S | S | . | . | trans | -78.2 | 125.2 | 179.2 | -107.8 | -176.4 | 170.9 | 179.8 | -4.1 | 110.7 | V464 D472 K473 E474 | V464-R468 HydrophobicContact CG1-CG 4.1Å; V464-R468 WeakPolarHBondContact O-CB 3.4Å; V464-R468 PolarHBondContact O-N 2.95Å; R468-D472 VanDerWaalsContact CZ-O 3.24Å; R468-D472 PolarHBondContact NE-O 2.88Å; R468-D472 PolarHBondContact NH2-O 3.26Å; R468-D472 VanDerWaalsContact NH2-O 3.09Å; R468-K473 PolarHBondContact NH2-O 3.37Å; R468-E474 PolarHBondContact NH2-O 3.37Å | ||
| 469 | T | 51.2 | Low | 61.1 | Low | 102 Ų | 102 | 98.1 Ų | 98.1 | 63% | 0.626 | 49% | 0.49 | S | S | * | . | trans | -67.8 | 146.2 | 155.9 | 23.6 | 0 | 0 | 0 | 0 | 109.5 | G471 | T469-G471 PolarHBondContact O-N 3.46Š| ||
| 470 | P | 38.8 | Very low | 61.8 | Low | 138 Ų | 138 | 93.3 Ų | 93.3 | 90% | 0.896 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | 103.5 | -178.8 | 4.5 | 10.2 | 0 | 0 | 0 | 109.3 | ||
| 471 | G | 48.3 | Very low | 62.9 | Low | 67 Ų | 67 | 91.4 Ų | 91.4 | 69% | 0.691 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 163.5 | -35.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | T469 | T469-G471 PolarHBondContact O-N 3.46Š|
| 472 | D | 48.8 | Very low | 63.9 | Low | 105 Ų | 105 | 89.2 Ų | 89.2 | 56% | 0.561 | 45% | 0.445 | S | S | * | . | trans | -84.4 | 122.3 | -172.1 | -75.9 | -26.2 | 0 | 0 | 0 | 113.6 | R468 | R468-D472 VanDerWaalsContact CZ-O 3.24Å; R468-D472 PolarHBondContact NE-O 2.88Å; R468-D472 PolarHBondContact NH2-O 3.26Å; R468-D472 VanDerWaalsContact NH2-O 3.09Å | ||
| 473 | K | 51.6 | Low | 64.6 | Low | 200 Ų | 200 | 83.7 Ų | 83.7 | 87% | 0.87 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -74.2 | -28 | 176.6 | -74.6 | 178.6 | 179.3 | 172 | 0 | 112.4 | R468 | R468-K473 PolarHBondContact NH2-O 3.37Š|
| 474 | E | 56.6 | Low | 65.8 | Low | 135 Ų | 135 | 78.7 Ų | 78.7 | 63% | 0.631 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -113.9 | 165.3 | -172.8 | -58.8 | -163.4 | 157.9 | 0 | 0 | 113.6 | R468 | R468-E474 PolarHBondContact NH2-O 3.37Š|
| 475 | L | 63.4 | Low | 67.2 | Low | 51 Ų | 51 | 78.2 Ų | 78.2 | 27% | 0.267 | 40% | 0.403 | S | S | . | . | trans | -85.3 | 135.1 | 171.8 | -73.2 | 157 | 0 | 0 | 0 | 107.9 | V464 E479 L483 | V464-L475 HydrophobicContact CB-CD2 4.39Å; V464-L475 HydrophobicContact CG1-CD2 3.76Å; V464-L475 HydrophobicContact CG2-CD2 3.65Å; L475-E479 HydrophobicContact CD2-CG 4.25Å; L475-E479 WeakPolarHBondContact CD2-OE2 3.41Å; L475-L483 HydrophobicContact CD1-CD1 4.37Å | ||
| 476 | P | 76 | Confident | 68.3 | Low | 56 Ų | 56 | 77.5 Ų | 77.5 | 36% | 0.364 | 40% | 0.404 | S | S | . | . | trans | -53.4 | 142.1 | 172.2 | -24 | 33.4 | 0 | 0 | 0 | 111.2 | V56 A478 E479 Q480 | V56-P476 HydrophobicContact CG2-CG 4.25Å; P476-A478 PolarHBondContact O-N 3.06Å; P476-A478 VanDerWaalsContact O-N 3.11Å; P476-E479 PolarHBondContact O-N 2.96Å; P476-Q480 PolarHBondContact O-N 3.45Å | ||
| 477 | L | 80.3 | Confident | 69.5 | Low | 50 Ų | 50 | 69.7 Ų | 69.7 | 26% | 0.262 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -49.3 | -40.7 | -179.7 | 176 | 68.8 | 0 | 0 | 0 | 112.5 | P10 P14 L68 E479 Q480 V481 | P10-L477 HydrophobicContact CB-CD2 4.49Å; P10-L477 HydrophobicContact CG-CD2 3.64Å; P14-L477 HydrophobicContact CG-CD1 4.06Å; P14-L477 HydrophobicContact CG-CD2 3.83Å; L68-L477 HydrophobicContact CD1-CD2 3.92Å; L477-E479 VanDerWaalsContact C-N 3.3Å; L477-E479 PolarHBondContact O-N 2.96Å; L477-Q480 WeakPolarHBondContact O-CB 3.35Å; L477-Q480 PolarHBondContact O-N 3.35Å; L477-Q480 VanDerWaalsContact O-N 3.15Å; L477-V481 HydrophobicContact CD1-CG2 4.27Å; L477-V481 HydrophobicContact CG-CG2 4.32Å; L477-V481 VanDerWaalsContact O-CG2 3.3Å; L477-V481 WeakPolarHBondContact O-CG2 3.27Å; L477-V481 PolarHBondContact O-N 3.4Å |
| 478 | A | 78.9 | Confident | 70.8 | Confident | 13 Ų | 13 | 67.7 Ų | 67.7 | 11% | 0.107 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.4 | -36.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L52 P476 R482 | L52-A478 HydrophobicContact CD1-CB 3.95Å; L52-A478 HydrophobicContact CD2-CB 4.16Å; L52-A478 HydrophobicContact CG-CB 4.12Å; P476-A478 PolarHBondContact O-N 3.06Å; P476-A478 VanDerWaalsContact O-N 3.11Å; A478-R482 WeakPolarHBondContact O-CG 3.31Å; A478-R482 PolarHBondContact O-N 3.25Å |
| 479 | E | 78.8 | Confident | 72.5 | Confident | 53 Ų | 53 | 65.6 Ų | 65.6 | 25% | 0.248 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -73.8 | -34.6 | 177.2 | -172.4 | 167 | -158.7 | 0 | 0 | 111.5 | V464 L475 P476 L477 L483 | V464-E479 WeakPolarHBondContact CG2-OE1 3.35Å; L475-E479 HydrophobicContact CD2-CG 4.25Å; L475-E479 WeakPolarHBondContact CD2-OE2 3.41Å; P476-E479 PolarHBondContact O-N 2.96Å; L477-E479 VanDerWaalsContact C-N 3.3Å; L477-E479 PolarHBondContact O-N 2.96Å; E479-L483 HydrophobicContact CG-CD1 4.27Å; E479-L483 VanDerWaalsContact O-CB 3.31Å; E479-L483 WeakPolarHBondContact O-CB 3.46Å; E479-L483 VanDerWaalsContact O-CG 3.27Å; E479-L483 WeakPolarHBondContact O-CG 3.41Å; E479-L483 PolarHBondContact O-N 3.49Å |
| 480 | Q | 84.1 | Confident | 74.1 | Confident | 22 Ų | 22 | 62 Ų | 62 | 10% | 0.103 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.7 | -49.7 | 172.5 | 177.9 | 175.2 | -16.5 | 0 | 0 | 111.9 | H171 K173 P476 L477 R482 L483 E484 | H171-Q480 PolarHBondContact O-NE2 2.99Å; K173-Q480 VanDerWaalsContact CE-CD 3.46Å; K173-Q480 VanDerWaalsContact CE-OE1 3.24Å; P476-Q480 PolarHBondContact O-N 3.45Å; L477-Q480 WeakPolarHBondContact O-CB 3.35Å; L477-Q480 PolarHBondContact O-N 3.35Å; L477-Q480 VanDerWaalsContact O-N 3.15Å; Q480-R482 VanDerWaalsContact C-N 3.32Å; Q480-R482 PolarHBondContact O-N 2.91Å; Q480-L483 WeakPolarHBondContact O-CB 3.48Å; Q480-L483 PolarHBondContact O-N 3.44Å; Q480-E484 HydrophobicContact CG-CG 4.49Å; Q480-E484 WeakPolarHBondContact CG-OE1 3.35Å; Q480-E484 PolarHBondContact NE2-OE1 2.94Å; Q480-E484 PolarHBondContact O-N 2.9Å |
| 481 | V | 86.4 | Confident | 76 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.6 | -45.6 | -179.2 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | V17 L52 L66 L68 L170 L477 E484 A485 | V17-V481 HydrophobicContact CG1-CG1 3.89Å; V17-V481 HydrophobicContact CG2-CG1 3.98Å; V17-V481 HydrophobicContact CG2-CG2 4.47Å; L52-V481 HydrophobicContact CD1-CG2 4.38Å; L52-V481 HydrophobicContact CD2-CB 4.05Å; L52-V481 HydrophobicContact CD2-CG1 3.91Å; L66-V481 HydrophobicContact CD2-CG1 4.48Å; L68-V481 HydrophobicContact CD2-CG1 4.45Å; L68-V481 HydrophobicContact CD2-CG2 3.86Å; L170-V481 HydrophobicContact CD1-CG2 4.24Å; L170-V481 HydrophobicContact CD2-CG2 3.94Å; L477-V481 HydrophobicContact CD1-CG2 4.27Å; L477-V481 HydrophobicContact CG-CG2 4.32Å; L477-V481 VanDerWaalsContact O-CG2 3.3Å; L477-V481 WeakPolarHBondContact O-CG2 3.27Å; L477-V481 PolarHBondContact O-N 3.4Å; V481-E484 PolarHBondContact O-N 2.91Å; V481-A485 WeakPolarHBondContact O-CB 3.32Å; V481-A485 PolarHBondContact O-N 3.41Å |
| 482 | R | 84.1 | Confident | 77.6 | Confident | 49 Ų | 49 | 60.2 Ų | 60.2 | 19% | 0.185 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.9 | -40.5 | 177.4 | -71 | -175.8 | -176.6 | 169.9 | 13.3 | 112.5 | P54 D62 L66 A478 Q480 A485 D486 | P54-R482 PolarHBondContact O-NH2 2.84Å; D62-R482 IonicContact OD2-CZ 3.72Å; D62-R482 IonicContact OD2-NH1 3.84Å; D62-R482 PolarHBondContact OD2-NH1 3.41Å; L66-R482 HydrophobicContact CD1-CG 4.08Å; A478-R482 WeakPolarHBondContact O-CG 3.31Å; A478-R482 PolarHBondContact O-N 3.25Å; Q480-R482 VanDerWaalsContact C-N 3.32Å; Q480-R482 PolarHBondContact O-N 2.91Å; R482-A485 PolarHBondContact O-N 2.98Å; R482-D486 PolarHBondContact O-N 3.03Å |
| 483 | L | 81.1 | Confident | 79.4 | Confident | 38 Ų | 38 | 56.8 Ų | 56.8 | 20% | 0.199 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60 | -47.6 | 175.5 | -86 | 170.5 | 0 | 0 | 0 | 112.2 | R456 M460 L475 E479 Q480 D486 M487 | R456-L483 PolarHBondContact NH2-O 3.33Å; M460-L483 HydrophobicContact CB-CD2 4.5Å; M460-L483 HydrophobicContact CE-CD1 4.28Å; M460-L483 HydrophobicContact CE-CD2 3.45Å; M460-L483 VanDerWaalsContact CE-CD2 3.45Å; M460-L483 HydrophobicContact CE-CG 3.97Å; M460-L483 HydrophobicContact CG-CD2 3.7Å; M460-L483 HydrophobicContact SD-CD2 3.86Å; L475-L483 HydrophobicContact CD1-CD1 4.37Å; E479-L483 HydrophobicContact CG-CD1 4.27Å; E479-L483 VanDerWaalsContact O-CB 3.31Å; E479-L483 WeakPolarHBondContact O-CB 3.46Å; E479-L483 VanDerWaalsContact O-CG 3.27Å; E479-L483 WeakPolarHBondContact O-CG 3.41Å; E479-L483 PolarHBondContact O-N 3.49Å; Q480-L483 WeakPolarHBondContact O-CB 3.48Å; Q480-L483 PolarHBondContact O-N 3.44Å; L483-D486 PolarHBondContact O-N 2.92Å; L483-M487 WeakPolarHBondContact O-CG 3.5Å |
| 484 | E | 87.1 | Confident | 81.1 | Confident | 11 Ų | 11 | 48.2 Ų | 48.2 | 5% | 0.051 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.8 | -37.4 | 179.3 | -71.8 | 179.8 | -141.9 | 0 | 0 | 111.4 | F168 H171 Q480 V481 D486 M487 K541 | F168-E484 HydrophobicContact CE2-CB 3.89Å; H171-E484 IonicContact CD2-OE2 3.6Å; H171-E484 PolarHBondContact N-OE2 2.78Å; Q480-E484 HydrophobicContact CG-CG 4.49Å; Q480-E484 WeakPolarHBondContact CG-OE1 3.35Å; Q480-E484 PolarHBondContact NE2-OE1 2.94Å; Q480-E484 PolarHBondContact O-N 2.9Å; V481-E484 PolarHBondContact O-N 2.91Å; E484-D486 PolarHBondContact O-N 3.24Å; E484-M487 HydrophobicContact CG-SD 4.25Å; E484-M487 WeakPolarHBondContact O-CB 3.1Å; E484-M487 PolarHBondContact O-N 2.77Å; E484-K541 WeakPolarHBondContact O-CE 3.24Å; E484-K541 WeakPolarHBondContact O-CG 3.47Å |
| 485 | A | 86.9 | Confident | 82.6 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 7% | 0.066 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.7 | -36.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q166 F168 V481 R482 M487 K541 | Q166-A485 PolarHBondContact NE2-O 2.83Å; F168-A485 HydrophobicContact CE1-CB 4.04Å; F168-A485 HydrophobicContact CZ-CB 3.83Å; V481-A485 WeakPolarHBondContact O-CB 3.32Å; V481-A485 PolarHBondContact O-N 3.41Å; R482-A485 PolarHBondContact O-N 2.98Å; A485-M487 VanDerWaalsContact C-N 3.35Å; A485-K541 WeakPolarHBondContact O-CE 3.33Å; A485-K541 PolarHBondContact O-NZ 3.15Å |
| 486 | D | 84.1 | Confident | 83.9 | Confident | 119 Ų | 119 | 43 Ų | 43 | 64% | 0.636 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -0.5 | 178.2 | -73.3 | -18.2 | 0 | 0 | 0 | 113.6 | R456 R482 L483 E484 | R456-D486 PolarHBondContact NH1-O 2.52Å; R456-D486 PolarHBondContact NH2-O 2.68Å; R482-D486 PolarHBondContact O-N 3.03Å; L483-D486 PolarHBondContact O-N 2.92Å; E484-D486 PolarHBondContact O-N 3.24Å |
| 487 | M | 84.1 | Confident | 84.7 | Confident | 27 Ų | 27 | 40.7 Ų | 40.7 | 13% | 0.133 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -77.5 | 158.2 | 176 | -72.7 | 176 | 69 | 0 | 0 | 111.4 | L483 E484 A485 V539 F540 K541 | L483-M487 WeakPolarHBondContact O-CG 3.5Å; E484-M487 HydrophobicContact CG-SD 4.25Å; E484-M487 WeakPolarHBondContact O-CB 3.1Å; E484-M487 PolarHBondContact O-N 2.77Å; A485-M487 VanDerWaalsContact C-N 3.35Å; M487-V539 VanDerWaalsContact CE-C 3.48Å; M487-V539 VanDerWaalsContact CE-O 3.23Å; M487-V539 WeakPolarHBondContact CE-O 3.44Å; M487-F540 WeakPolarHBondContact CE-O 3.44Å; M487-K541 HydrophobicContact CB-CG 3.7Å; M487-K541 WeakPolarHBondContact O-CE 3.39Å; M487-K541 PolarHBondContact O-NZ 3.31Å |
| 488 | S | 84.9 | Confident | 85.3 | Confident | 57 Ų | 57 | 39.1 Ų | 39.1 | 40% | 0.399 | 22% | 0.216 | S | C | . | . | B | Isolated β-bridge | trans | -69.2 | 143.2 | 174.5 | 43.3 | 0 | 0 | 0 | 0 | 110.5 | V539 F540 K541 | S488-V539 PolarHBondContact OG-O 3.16Å; S488-F540 CarbonylContact O-C 3.2Å; S488-F540 VanDerWaalsContact O-CA 3.32Å; S488-F540 WeakPolarHBondContact O-CA 3.48Å; S488-F540 VanDerWaalsContact OG-CD1 3.23Å; S488-F540 WeakPolarHBondContact OG-CD1 3.34Å; S488-K541 PolarHBondContact O-N 2.95Å |
| 489 | T | 87.3 | Confident | 85.8 | Confident | 77 Ų | 77 | 39.3 Ų | 39.3 | 47% | 0.472 | 22% | 0.215 | S | C | . | . | P | Polyproline II helix | trans | -82.3 | 134.1 | 173.4 | -56.3 | 0 | 0 | 0 | 0 | 109.2 | L491 | T489-L491 PolarHBondContact O-N 2.92Š|
| 490 | Y | 85.4 | Confident | 86.5 | Confident | 27 Ų | 27 | 36.8 Ų | 36.8 | 11% | 0.106 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -73.5 | 121.3 | 170.9 | -179.3 | -110.6 | 0 | 0 | 0 | 109.6 | G492 T493 D496 M536 F540 P543 | Y490-G492 VanDerWaalsContact CE1-C 3.48Å; Y490-G492 PolarHBondContact O-N 3.39Å; Y490-T493 HydrophobicContact CE1-CG2 4.31Å; Y490-T493 VanDerWaalsContact OH-CA 3.31Å; Y490-T493 WeakPolarHBondContact OH-CA 3.22Å; Y490-T493 WeakPolarHBondContact OH-CG2 3.02Å; Y490-T493 PolarHBondContact OH-N 3.46Å; Y490-D496 PolarHBondContact OH-OD2 3.26Å; Y490-M536 HydrophobicContact CD1-SD 4.45Å; Y490-M536 HydrophobicContact CD2-SD 3.94Å; Y490-M536 HydrophobicContact CE1-CE 4.44Å; Y490-M536 HydrophobicContact CE1-SD 4.4Å; Y490-M536 HydrophobicContact CE2-SD 3.93Å; Y490-M536 HydrophobicContact CG-SD 4.2Å; Y490-F540 AromaticContact CD2-CD2 3.78Å; Y490-F540 HydrophobicContact CD2-CD2 3.78Å; Y490-F540 AromaticContact CD2-CE2 3.85Å; Y490-F540 HydrophobicContact CD2-CE2 3.85Å; Y490-F540 HydrophobicContact CD2-CG 4.26Å; Y490-F540 HydrophobicContact CD2-CZ 4.41Å; Y490-F540 HydrophobicContact CE2-CE2 4.5Å; Y490-F540 HydrophobicContact CG-CD2 4.48Å; Y490-P543 HydrophobicContact CD1-CB 3.97Å; Y490-P543 HydrophobicContact CD1-CG 4.18Å |
| 491 | L | 77.7 | Confident | 87.1 | Confident | 139 Ų | 139 | 36 Ų | 36 | 73% | 0.728 | 20% | 0.199 | S | C | * | . | trans | -83.8 | 8.3 | -173 | -67.2 | 173.1 | 0 | 0 | 0 | 113.8 | T489 | T489-L491 PolarHBondContact O-N 2.92Š| ||
| 492 | G | 82.3 | Confident | 87.3 | Confident | 28 Ų | 28 | 37.3 Ų | 37.3 | 29% | 0.289 | 21% | 0.206 | S | C | . | . | trans | 101.9 | 172.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y490 F494 | Y490-G492 VanDerWaalsContact CE1-C 3.48Å; Y490-G492 PolarHBondContact O-N 3.39Å; G492-F494 PolarHBondContact O-N 3.12Å | ||
| 493 | T | 86.8 | Confident | 87.7 | Confident | 33 Ų | 33 | 35.1 Ų | 35.1 | 20% | 0.202 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | 9 | -174.8 | 51.8 | 0 | 0 | 0 | 0 | 113.9 | Y208 Y490 Y497 | Y208-T493 HydrophobicContact CG-CG2 4.19Å; Y490-T493 HydrophobicContact CE1-CG2 4.31Å; Y490-T493 VanDerWaalsContact OH-CA 3.31Å; Y490-T493 WeakPolarHBondContact OH-CA 3.22Å; Y490-T493 WeakPolarHBondContact OH-CG2 3.02Å; Y490-T493 PolarHBondContact OH-N 3.46Å; T493-Y497 WeakPolarHBondContact O-CD2 3.29Å; T493-Y497 PolarHBondContact O-N 2.92Å |
| 494 | F | 87.6 | Confident | 88.4 | Confident | 20 Ų | 20 | 33.3 Ų | 33.3 | 9% | 0.088 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.2 | -52.6 | -174 | 173.1 | -96.5 | 0 | 0 | 0 | 112 | V398 V401 G492 D496 Y497 L498 W554 | V398-F494 HydrophobicContact CB-CD2 4.21Å; V398-F494 HydrophobicContact CB-CE2 4.03Å; V398-F494 HydrophobicContact CG1-CD2 4.36Å; V398-F494 HydrophobicContact CG1-CE2 4.02Å; V398-F494 HydrophobicContact CG2-CD2 3.58Å; V398-F494 HydrophobicContact CG2-CE2 3.92Å; V401-F494 HydrophobicContact CB-CE1 4.25Å; V401-F494 HydrophobicContact CB-CE2 4.32Å; V401-F494 HydrophobicContact CB-CZ 3.59Å; V401-F494 HydrophobicContact CG1-CE1 3.64Å; V401-F494 HydrophobicContact CG1-CE2 4.49Å; V401-F494 HydrophobicContact CG1-CZ 3.35Å; V401-F494 HydrophobicContact CG2-CZ 4.5Å; G492-F494 PolarHBondContact O-N 3.12Å; F494-D496 VanDerWaalsContact C-N 3.31Å; F494-Y497 PolarHBondContact O-N 3.47Å; F494-L498 HydrophobicContact CE1-CD2 4.05Å; F494-L498 HydrophobicContact CZ-CD2 4.26Å; F494-L498 WeakPolarHBondContact O-CB 3.27Å; F494-L498 PolarHBondContact O-N 3.08Å; F494-W554 HydrophobicContact CD2-CH2 4.25Å; F494-W554 AromaticContact CD2-CZ2 3.55Å; F494-W554 HydrophobicContact CD2-CZ2 3.55Å; F494-W554 AromaticContact CE2-CH2 3.85Å; F494-W554 HydrophobicContact CE2-CH2 3.85Å; F494-W554 AromaticContact CE2-CZ2 3.59Å; F494-W554 HydrophobicContact CE2-CZ2 3.59Å; F494-W554 HydrophobicContact CG-CZ2 4.4Å; F494-W554 HydrophobicContact CZ-CH2 4.42Å; F494-W554 HydrophobicContact CZ-CZ2 4.49Å; F494-W554 WeakPolarHBondContact O-CZ2 3.49Å |
| 495 | D | 86.9 | Confident | 88.7 | Confident | 62 Ų | 62 | 32.8 Ų | 32.8 | 33% | 0.332 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.3 | -39 | -177.5 | -64.6 | -52.3 | 0 | 0 | 0 | 110.4 | R375 L498 E499 | R375-D495 IonicContact CZ-OD1 2.96Å; R375-D495 IonicContact CZ-OD2 3.88Å; R375-D495 IonicContact NH1-OD1 2.74Å; R375-D495 PolarHBondContact NH1-OD1 3.13Å; R375-D495 IonicContact NH1-OD2 2.96Å; R375-D495 PolarHBondContact NH1-OD2 3.31Å; R375-D495 IonicContact NH2-OD1 3.98Å; R375-D495 IonicContact NH2-OD2 2.93Å; R375-D495 PolarHBondContact NH2-OD2 3.03Å; D495-L498 WeakPolarHBondContact O-CB 3.44Å; D495-L498 PolarHBondContact O-N 2.89Å; D495-E499 PolarHBondContact O-N 3.17Å |
| 496 | D | 90.6 | Very high | 88.9 | Confident | 14 Ų | 14 | 33 Ų | 33 | 8% | 0.075 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.6 | -43.4 | 178.7 | -45 | -37.9 | 0 | 0 | 0 | 112.3 | Y208 Y490 F494 L500 | Y208-D496 HydrophobicContact CD2-CB 4.11Å; Y208-D496 HydrophobicContact CE1-CB 4.12Å; Y208-D496 HydrophobicContact CE2-CB 3.41Å; Y208-D496 VanDerWaalsContact CE2-CB 3.41Å; Y208-D496 VanDerWaalsContact CZ-CB 3.43Å; Y490-D496 PolarHBondContact OH-OD2 3.26Å; F494-D496 VanDerWaalsContact C-N 3.31Å; D496-L500 PolarHBondContact O-N 3.23Å |
| 497 | Y | 93.7 | Very high | 89.2 | Confident | 8 Ų | 8 | 27.6 Ų | 27.6 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.9 | -33.9 | 173.1 | -81.4 | -64.7 | 0 | 0 | 0 | 112.9 | Y208 F211 T493 F494 E499 L500 F501 I551 W554 | Y208-Y497 WeakPolarHBondContact CA-OH 3.23Å; Y208-Y497 HydrophobicContact CD2-CD1 4.12Å; Y208-Y497 HydrophobicContact CD2-CD2 4.24Å; Y208-Y497 AromaticContact CD2-CE1 3.96Å; Y208-Y497 HydrophobicContact CD2-CE1 3.96Å; Y208-Y497 HydrophobicContact CD2-CE2 4.07Å; Y208-Y497 HydrophobicContact CD2-CG 4.24Å; Y208-Y497 AromaticContact CD2-CZ 3.93Å; Y208-Y497 PolarHBondContact N-OH 3.28Å; F211-Y497 HydrophobicContact CB-CE1 4.11Å; F211-Y497 AromaticContact CD1-CD1 3.9Å; F211-Y497 HydrophobicContact CD1-CD1 3.9Å; F211-Y497 AromaticContact CD1-CE1 3.61Å; F211-Y497 HydrophobicContact CD1-CE1 3.61Å; F211-Y497 HydrophobicContact CE1-CD1 4.29Å; F211-Y497 HydrophobicContact CE1-CE1 4.36Å; F211-Y497 HydrophobicContact CG-CE1 4.07Å; T493-Y497 WeakPolarHBondContact O-CD2 3.29Å; T493-Y497 PolarHBondContact O-N 2.92Å; F494-Y497 PolarHBondContact O-N 3.47Å; Y497-E499 VanDerWaalsContact C-N 3.3Å; Y497-E499 PolarHBondContact O-N 3.47Å; Y497-L500 PolarHBondContact O-N 2.83Å; Y497-F501 WeakPolarHBondContact O-CB 3.39Å; Y497-F501 PolarHBondContact O-N 3.35Å; Y497-I551 HydrophobicContact CE1-CB 4.16Å; Y497-I551 HydrophobicContact CE1-CG2 3.97Å; Y497-I551 VanDerWaalsContact OH-CG2 3.3Å; Y497-I551 WeakPolarHBondContact OH-CG2 3.3Å; Y497-W554 HydrophobicContact CD1-CG 4.35Å; Y497-W554 AromaticContact CD2-CD1 3.61Å; Y497-W554 HydrophobicContact CD2-CG 4.36Å; Y497-W554 AromaticContact CD2-NE1 3.57Å; Y497-W554 AromaticContact CG-CD1 3.68Å; Y497-W554 HydrophobicContact CG-CD2 4.18Å; Y497-W554 AromaticContact CG-CG 4Å; Y497-W554 HydrophobicContact CG-CG 4Å; Y497-W554 AromaticContact CG-NE1 3.72Å |
| 498 | L | 91.5 | Very high | 89.7 | Confident | 16 Ų | 16 | 26.5 Ų | 26.5 | 8% | 0.084 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.4 | -42 | 177.3 | 179.1 | 65.9 | 0 | 0 | 0 | 110.7 | N405 F494 D495 F501 L502 W554 | N405-L498 HydrophobicContact CB-CD1 4.21Å; N405-L498 WeakPolarHBondContact ND2-CD2 3.33Å; F494-L498 HydrophobicContact CE1-CD2 4.05Å; F494-L498 HydrophobicContact CZ-CD2 4.26Å; F494-L498 WeakPolarHBondContact O-CB 3.27Å; F494-L498 PolarHBondContact O-N 3.08Å; D495-L498 WeakPolarHBondContact O-CB 3.44Å; D495-L498 PolarHBondContact O-N 2.89Å; L498-F501 HydrophobicContact CD1-CD1 4.44Å; L498-F501 WeakPolarHBondContact O-CB 3.26Å; L498-F501 PolarHBondContact O-N 2.76Å; L498-L502 HydrophobicContact CD1-CG 4.38Å; L498-L502 HydrophobicContact CG-CD1 4.32Å; L498-L502 WeakPolarHBondContact O-CG 3.48Å; L498-L502 PolarHBondContact O-N 3.07Å; L498-W554 VanDerWaalsContact CA-CH2 3.44Å; L498-W554 HydrophobicContact CB-CH2 3.69Å; L498-W554 HydrophobicContact CB-CZ2 4.44Å; L498-W554 HydrophobicContact CB-CZ3 4.42Å; L498-W554 HydrophobicContact CD1-CH2 4.08Å; L498-W554 HydrophobicContact CD1-CZ3 4.41Å |
| 499 | E | 90.1 | Very high | 90 | Very high | 17 Ų | 17 | 23.8 Ų | 23.8 | 8% | 0.079 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.9 | -52.9 | 175.2 | -176.3 | -179.2 | 162.9 | 0 | 0 | 111.1 | D495 Y497 F501 L502 L503 N524 | D495-E499 PolarHBondContact O-N 3.17Å; Y497-E499 VanDerWaalsContact C-N 3.3Å; Y497-E499 PolarHBondContact O-N 3.47Å; E499-F501 PolarHBondContact O-N 3.17Å; E499-L502 PolarHBondContact O-N 3.06Å; E499-L502 VanDerWaalsContact O-N 3.15Å; E499-L503 HydrophobicContact CG-CD1 3.96Å; E499-L503 HydrophobicContact CG-CG 4.4Å; E499-L503 WeakPolarHBondContact O-CB 3.45Å; E499-L503 VanDerWaalsContact O-CG 3.31Å; E499-L503 WeakPolarHBondContact O-CG 3.27Å; E499-L503 PolarHBondContact O-N 3.36Å; E499-N524 PolarHBondContact OE1-ND2 3.21Å; E499-N524 VanDerWaalsContact OE1-ND2 3.12Å |
| 500 | L | 94 | Very high | 90.1 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.3 | -36 | 178.1 | -61.1 | -178.8 | 0 | 0 | 0 | 112.4 | Y208 F211 L212 F215 D496 Y497 L503 F504 F558 | Y208-L500 HydrophobicContact CE2-CD1 3.94Å; F211-L500 HydrophobicContact CD1-CD1 3.79Å; F211-L500 HydrophobicContact CE1-CB 4.42Å; F211-L500 HydrophobicContact CE1-CD1 4.02Å; L212-L500 HydrophobicContact CB-CD1 4.26Å; L212-L500 HydrophobicContact CD1-CD1 3.98Å; L212-L500 HydrophobicContact CD1-CD2 3.59Å; L212-L500 HydrophobicContact CD1-CG 4.37Å; F215-L500 HydrophobicContact CD1-CD2 4.3Å; D496-L500 PolarHBondContact O-N 3.23Å; Y497-L500 PolarHBondContact O-N 2.83Å; L500-L503 HydrophobicContact CD2-CD1 4.46Å; L500-F504 WeakPolarHBondContact O-CB 3.4Å; L500-F504 PolarHBondContact O-N 2.86Å; L500-F558 HydrophobicContact CB-CZ 4.22Å |
| 501 | F | 95.4 | Very high | 90 | Very high | 5 Ų | 5 | 19 Ų | 19 | 2% | 0.022 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66 | -44.8 | 176.3 | 173.9 | -100.2 | 0 | 0 | 0 | 112.5 | L402 F406 Y497 L498 E499 F504 G505 W554 A557 F558 M561 | L402-F501 HydrophobicContact CD1-CD1 4.3Å; L402-F501 HydrophobicContact CD1-CE1 4.17Å; L402-F501 HydrophobicContact CD1-CE2 4.44Å; L402-F501 HydrophobicContact CD1-CG 4.47Å; L402-F501 HydrophobicContact CD1-CZ 4.22Å; L402-F501 HydrophobicContact CD2-CE1 3.84Å; L402-F501 HydrophobicContact CD2-CZ 3.76Å; L402-F501 HydrophobicContact CG-CD1 4.22Å; L402-F501 HydrophobicContact CG-CE1 3.81Å; L402-F501 HydrophobicContact CG-CZ 4.12Å; F406-F501 HydrophobicContact CB-CE1 4.44Å; F406-F501 HydrophobicContact CD2-CE1 4.21Å; F406-F501 HydrophobicContact CD2-CZ 4.28Å; Y497-F501 WeakPolarHBondContact O-CB 3.39Å; Y497-F501 PolarHBondContact O-N 3.35Å; L498-F501 HydrophobicContact CD1-CD1 4.44Å; L498-F501 WeakPolarHBondContact O-CB 3.26Å; L498-F501 PolarHBondContact O-N 2.76Å; E499-F501 PolarHBondContact O-N 3.17Å; F501-F504 PolarHBondContact O-N 2.98Å; F501-G505 PolarHBondContact O-N 3.43Å; F501-W554 HydrophobicContact CB-CE3 4.2Å; F501-W554 HydrophobicContact CB-CZ3 3.82Å; F501-W554 HydrophobicContact CG-CZ3 4.12Å; F501-A557 HydrophobicContact CD2-CB 4.08Å; F501-A557 HydrophobicContact CE2-CB 3.75Å; F501-A557 WeakPolarHBondContact CE2-O 3.46Å; F501-A557 HydrophobicContact CZ-CB 4.39Å; F501-F558 HydrophobicContact CB-CE1 4.23Å; F501-F558 HydrophobicContact CB-CE2 4.45Å; F501-F558 HydrophobicContact CB-CZ 3.91Å; F501-F558 HydrophobicContact CD2-CD1 4.29Å; F501-F558 HydrophobicContact CD2-CE1 4.33Å; F501-F558 HydrophobicContact CD2-CG 4.43Å; F501-F558 HydrophobicContact CD2-CZ 4.49Å; F501-M561 HydrophobicContact CD1-CE 4.43Å; F501-M561 HydrophobicContact CD2-CE 4.5Å; F501-M561 HydrophobicContact CE1-CE 3.72Å; F501-M561 HydrophobicContact CE2-CB 3.87Å; F501-M561 HydrophobicContact CE2-CE 3.79Å; F501-M561 HydrophobicContact CZ-CB 4.37Å; F501-M561 HydrophobicContact CZ-CE 3.37Å |
| 502 | L | 91.9 | Very high | 90.1 | Very high | 28 Ų | 28 | 12.7 Ų | 12.7 | 15% | 0.147 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66.2 | -43.1 | 176.7 | -67.2 | 177.8 | 0 | 0 | 0 | 111.1 | C409 F410 L498 E499 F504 G505 Y506 | C409-L502 HydrophobicContact CB-CD2 4.16Å; F410-L502 HydrophobicContact CE2-CD2 3.75Å; F410-L502 HydrophobicContact CZ-CD2 4.27Å; L498-L502 HydrophobicContact CD1-CG 4.38Å; L498-L502 HydrophobicContact CG-CD1 4.32Å; L498-L502 WeakPolarHBondContact O-CG 3.48Å; L498-L502 PolarHBondContact O-N 3.07Å; E499-L502 PolarHBondContact O-N 3.06Å; E499-L502 VanDerWaalsContact O-N 3.15Å; L502-F504 VanDerWaalsContact C-N 3.33Å; L502-F504 PolarHBondContact O-N 2.77Å; L502-G505 WeakPolarHBondContact O-CA 3.41Å; L502-G505 PolarHBondContact O-N 2.81Å; L502-Y506 HydrophobicContact CB-CE2 4.41Å; L502-Y506 WeakPolarHBondContact O-CD2 3.43Å; L502-Y506 PolarHBondContact O-N 3.16Å |
| 503 | L | 92.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 12.8 Ų | 12.8 | 1% | 0.01 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -58 | -44.5 | 173.9 | -71.6 | 175.2 | 0 | 0 | 0 | 112 | L434 Q438 E499 L500 G505 Y506 V507 V521 | L434-L503 HydrophobicContact CD1-CD2 4.05Å; Q438-L503 VanDerWaalsContact NE2-CD2 3.29Å; E499-L503 HydrophobicContact CG-CD1 3.96Å; E499-L503 HydrophobicContact CG-CG 4.4Å; E499-L503 WeakPolarHBondContact O-CB 3.45Å; E499-L503 VanDerWaalsContact O-CG 3.31Å; E499-L503 WeakPolarHBondContact O-CG 3.27Å; E499-L503 PolarHBondContact O-N 3.36Å; L500-L503 HydrophobicContact CD2-CD1 4.46Å; L503-G505 VanDerWaalsContact C-N 3.31Å; L503-G505 PolarHBondContact O-N 3.21Å; L503-Y506 PolarHBondContact O-N 3.04Å; L503-V507 WeakPolarHBondContact O-CG2 3.33Å; L503-V507 PolarHBondContact O-N 3.29Å; L503-V507 VanDerWaalsContact O-N 3.13Å; L503-V521 HydrophobicContact CB-CG1 3.84Å; L503-V521 HydrophobicContact CB-CG2 4.23Å; L503-V521 HydrophobicContact CD1-CG1 4.23Å; L503-V521 HydrophobicContact CD2-CG1 4.37Å; L503-V521 HydrophobicContact CD2-CG2 3.86Å; L503-V521 HydrophobicContact CG-CG1 4.39Å |
| 504 | F | 95.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.2 | -40 | 173.1 | -177.6 | -116.4 | 0 | 0 | 0 | 112.4 | F215 C251 I254 L255 L500 F501 L502 V507 S508 F558 M561 | F215-F504 HydrophobicContact CE1-CB 4.47Å; F215-F504 HydrophobicContact CE2-CB 4.23Å; F215-F504 AromaticContact CE2-CD2 3.65Å; F215-F504 HydrophobicContact CE2-CD2 3.65Å; F215-F504 HydrophobicContact CE2-CE2 4.38Å; F215-F504 HydrophobicContact CE2-CG 4.19Å; F215-F504 HydrophobicContact CZ-CB 3.6Å; F215-F504 AromaticContact CZ-CD2 3.68Å; F215-F504 HydrophobicContact CZ-CD2 3.68Å; F215-F504 HydrophobicContact CZ-CG 4.01Å; C251-F504 HydrophobicContact CB-CE2 4.44Å; C251-F504 HydrophobicContact CB-CZ 4.12Å; I254-F504 HydrophobicContact CD1-CE2 4.25Å; L255-F504 HydrophobicContact CD1-CZ 4.47Å; L500-F504 WeakPolarHBondContact O-CB 3.4Å; L500-F504 PolarHBondContact O-N 2.86Å; F501-F504 PolarHBondContact O-N 2.98Å; L502-F504 VanDerWaalsContact C-N 3.33Å; L502-F504 PolarHBondContact O-N 2.77Å; F504-V507 PolarHBondContact O-N 3.03Å; F504-S508 VanDerWaalsContact O-CB 3.26Å; F504-S508 WeakPolarHBondContact O-CB 3.26Å; F504-S508 PolarHBondContact O-N 2.95Å; F504-S508 PolarHBondContact O-OG 3.45Å; F504-F558 HydrophobicContact CB-CD1 3.98Å; F504-F558 HydrophobicContact CB-CE1 3.65Å; F504-F558 AromaticContact CD1-CD1 3.48Å; F504-F558 HydrophobicContact CD1-CD1 3.48Å; F504-F558 VanDerWaalsContact CD1-CD1 3.48Å; F504-F558 HydrophobicContact CD1-CE1 4.08Å; F504-F558 HydrophobicContact CE1-CD1 4.1Å; F504-F558 AromaticContact CG-CD1 3.8Å; F504-F558 HydrophobicContact CG-CD1 3.8Å; F504-F558 AromaticContact CG-CE1 3.99Å; F504-F558 HydrophobicContact CG-CE1 3.99Å; F504-M561 HydrophobicContact CD1-CB 4.12Å; F504-M561 HydrophobicContact CD1-CG 3.67Å; F504-M561 HydrophobicContact CE1-CB 4.08Å; F504-M561 HydrophobicContact CE1-CG 3.85Å |
| 505 | G | 94 | Very high | 90 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -59.9 | -47.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F501 L502 L503 V507 S508 L509 M561 | F501-G505 PolarHBondContact O-N 3.43Å; L502-G505 WeakPolarHBondContact O-CA 3.41Å; L502-G505 PolarHBondContact O-N 2.81Å; L503-G505 VanDerWaalsContact C-N 3.31Å; L503-G505 PolarHBondContact O-N 3.21Å; G505-V507 VanDerWaalsContact C-N 3.31Å; G505-V507 PolarHBondContact O-N 3.1Å; G505-S508 PolarHBondContact O-N 3.19Å; G505-L509 WeakPolarHBondContact O-CB 3.32Å; G505-L509 VanDerWaalsContact O-CG 3.28Å; G505-L509 WeakPolarHBondContact O-CG 3.07Å; G505-L509 PolarHBondContact O-N 3Å; G505-M561 VanDerWaalsContact CA-SD 3.59Å |
| 506 | Y | 90.4 | Very high | 90.1 | Very high | 14 Ų | 14 | 10.6 Ų | 10.6 | 6% | 0.055 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -60.6 | -39.4 | 176.9 | -68.2 | -56.5 | 0 | 0 | 0 | 112.8 | F410 L413 L430 L434 L502 L503 | F410-Y506 HydrophobicContact CD1-CD1 4.34Å; F410-Y506 HydrophobicContact CD1-CE1 4.16Å; F410-Y506 AromaticContact CE1-CD1 3.51Å; F410-Y506 HydrophobicContact CE1-CD1 3.51Å; F410-Y506 AromaticContact CE1-CE1 3.57Å; F410-Y506 HydrophobicContact CE1-CE1 3.57Å; F410-Y506 HydrophobicContact CE1-CG 4.07Å; F410-Y506 HydrophobicContact CZ-CD1 4.29Å; F410-Y506 HydrophobicContact CZ-CE1 4.29Å; F410-Y506 HydrophobicContact CZ-CG 4.49Å; L413-Y506 HydrophobicContact CD1-CD1 4.14Å; L413-Y506 HydrophobicContact CD1-CE1 3.8Å; L430-Y506 HydrophobicContact CD1-CD1 3.34Å; L430-Y506 HydrophobicContact CD1-CE1 4.12Å; L430-Y506 HydrophobicContact CD1-CG 4.09Å; L434-Y506 HydrophobicContact CD1-CD2 3.54Å; L434-Y506 HydrophobicContact CD1-CE2 4.34Å; L434-Y506 HydrophobicContact CD1-CG 3.78Å; L502-Y506 HydrophobicContact CB-CE2 4.41Å; L502-Y506 WeakPolarHBondContact O-CD2 3.43Å; L502-Y506 PolarHBondContact O-N 3.16Å; L503-Y506 PolarHBondContact O-N 3.04Å |
| 507 | V | 91.9 | Very high | 90.1 | Very high | 5 Ų | 5 | 10 Ų | 10 | 3% | 0.03 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -73.4 | -43.4 | 178.4 | 175.6 | 0 | 0 | 0 | 0 | 112 | L219 M222 L503 F504 G505 S511 A517 A518 V521 | L219-V507 HydrophobicContact CD2-CG1 4.29Å; M222-V507 HydrophobicContact SD-CG1 3.7Å; L503-V507 WeakPolarHBondContact O-CG2 3.33Å; L503-V507 PolarHBondContact O-N 3.29Å; L503-V507 VanDerWaalsContact O-N 3.13Å; F504-V507 PolarHBondContact O-N 3.03Å; G505-V507 VanDerWaalsContact C-N 3.31Å; G505-V507 PolarHBondContact O-N 3.1Å; V507-S511 WeakPolarHBondContact O-CA 3.23Å; V507-S511 WeakPolarHBondContact O-CB 3.33Å; V507-A517 HydrophobicContact CG2-CB 4.16Å; V507-A518 HydrophobicContact CG1-CB 3.96Å; V507-A518 HydrophobicContact CG2-CB 4.45Å; V507-V521 HydrophobicContact CG2-CB 3.99Å; V507-V521 HydrophobicContact CG2-CG1 4.49Å; V507-V521 HydrophobicContact CG2-CG2 3.44Å; V507-V521 VanDerWaalsContact CG2-CG2 3.44Å |
| 508 | S | 93.2 | Very high | 90 | Very high | 3 Ų | 3 | 9.9 Ų | 9.9 | 2% | 0.021 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -84.2 | -41.1 | -170.8 | 60.8 | 0 | 0 | 0 | 0 | 113.6 | F504 G505 A565 N569 | F504-S508 VanDerWaalsContact O-CB 3.26Å; F504-S508 WeakPolarHBondContact O-CB 3.26Å; F504-S508 PolarHBondContact O-N 2.95Å; F504-S508 PolarHBondContact O-OG 3.45Å; G505-S508 PolarHBondContact O-N 3.19Å; S508-A565 WeakPolarHBondContact O-CB 3.31Å; S508-N569 PolarHBondContact O-ND2 3.45Å |
| 509 | L | 92.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -70.4 | -43.9 | -175.8 | -67 | 173 | 0 | 0 | 0 | 112.4 | F406 F410 F414 G505 M561 I564 A565 T568 | F406-L509 HydrophobicContact CE2-CD1 4.2Å; F410-L509 HydrophobicContact CD1-CD1 3.75Å; F410-L509 HydrophobicContact CD2-CD1 4.36Å; F410-L509 HydrophobicContact CE1-CD1 3.9Å; F410-L509 HydrophobicContact CG-CD1 3.99Å; F410-L509 HydrophobicContact CZ-CD1 4.3Å; F414-L509 HydrophobicContact CZ-CD1 3.99Å; F414-L509 HydrophobicContact CZ-CD2 4.23Å; G505-L509 WeakPolarHBondContact O-CB 3.32Å; G505-L509 VanDerWaalsContact O-CG 3.28Å; G505-L509 WeakPolarHBondContact O-CG 3.07Å; G505-L509 PolarHBondContact O-N 3Å; L509-M561 HydrophobicContact CD1-SD 3.68Å; L509-M561 HydrophobicContact CD2-SD 3.9Å; L509-M561 HydrophobicContact CG-SD 3.72Å; L509-I564 HydrophobicContact CD2-CB 4.2Å; L509-I564 HydrophobicContact CD2-CG2 3.66Å; L509-A565 HydrophobicContact CD2-CB 4.16Å; L509-T568 HydrophobicContact CB-CG2 4.36Å; L509-T568 WeakPolarHBondContact O-CG2 3.45Å |
| 510 | F | 88.5 | Confident | 90.1 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -114.1 | 24.7 | -170.3 | -55.8 | -74.2 | 0 | 0 | 0 | 112.6 | F410 L413 F414 A417 L426 L430 C512 V513 Y514 T568 L572 | F410-F510 AromaticContact CD1-CE2 3.94Å; F410-F510 HydrophobicContact CD1-CE2 3.94Å; F410-F510 HydrophobicContact CE1-CE2 4.45Å; L413-F510 HydrophobicContact CB-CE1 4.22Å; L413-F510 HydrophobicContact CB-CE2 3.93Å; L413-F510 HydrophobicContact CB-CZ 3.56Å; L413-F510 HydrophobicContact CD1-CD2 4.28Å; L413-F510 HydrophobicContact CD1-CE2 3.78Å; L413-F510 HydrophobicContact CD1-CZ 4.3Å; F414-F510 HydrophobicContact CD1-CE1 4.33Å; F414-F510 HydrophobicContact CD1-CZ 4.01Å; F414-F510 HydrophobicContact CE1-CE1 4.43Å; F414-F510 AromaticContact CE1-CZ 3.97Å; F414-F510 HydrophobicContact CE1-CZ 3.97Å; A417-F510 HydrophobicContact CB-CE1 4.43Å; L426-F510 HydrophobicContact CD1-CD1 4.2Å; L426-F510 HydrophobicContact CD1-CE1 4.16Å; L426-F510 HydrophobicContact CD2-CD1 4.14Å; L430-F510 HydrophobicContact CD1-CD2 4.31Å; L430-F510 HydrophobicContact CD2-CB 3.61Å; L430-F510 HydrophobicContact CD2-CG 4.32Å; F510-C512 VanDerWaalsContact C-N 3.27Å; F510-C512 PolarHBondContact O-N 3.28Å; F510-V513 PolarHBondContact O-N 2.95Å; F510-Y514 PolarHBondContact O-N 3.35Å; F510-Y514 VanDerWaalsContact O-N 3.09Å; F510-T568 HydrophobicContact CE1-CG2 4.26Å; F510-L572 HydrophobicContact CD1-CD1 4.25Å |
| 511 | S | 82.5 | Confident | 90 | Very high | 5 Ų | 5 | 12.3 Ų | 12.3 | 4% | 0.035 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -44.6 | -175.3 | 74.2 | 0 | 0 | 0 | 0 | 112.1 | F243 N247 V507 V513 Y514 N569 | F243-S511 VanDerWaalsContact CE1-O 3.32Å; F243-S511 WeakPolarHBondContact CE1-O 3.42Å; N247-S511 WeakPolarHBondContact ND2-CB 3.31Å; N247-S511 PolarHBondContact ND2-OG 2.88Å; V507-S511 WeakPolarHBondContact O-CA 3.23Å; V507-S511 WeakPolarHBondContact O-CB 3.33Å; S511-V513 PolarHBondContact O-N 3.14Å; S511-Y514 CarbonylContact O-C 3.51Å; S511-Y514 PolarHBondContact O-N 3.04Å; S511-N569 PolarHBondContact OG-OD1 3.27Å |
| 512 | C | 81.3 | Confident | 89.9 | Confident | 6 Ų | 6 | 13.1 Ų | 13.1 | 4% | 0.041 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -28.8 | -179.3 | -59.6 | 0 | 0 | 0 | 0 | 113.1 | Y240 F510 N569 | Y240-C512 HydrophobicContact CD1-CB 4.26Å; Y240-C512 WeakPolarHBondContact CE1-O 3.39Å; F510-C512 VanDerWaalsContact C-N 3.27Å; F510-C512 PolarHBondContact O-N 3.28Å; C512-N569 PolarHBondContact SG-OD1 3.05Å |
| 513 | V | 83.8 | Confident | 89.9 | Confident | 29 Ų | 29 | 17 Ų | 17 | 18% | 0.176 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -35.2 | -175 | 178.2 | 0 | 0 | 0 | 0 | 111 | M423 L426 F510 S511 L572 | M423-V513 HydrophobicContact SD-CG2 4.23Å; L426-V513 HydrophobicContact CB-CG1 4.34Å; L426-V513 HydrophobicContact CD2-CB 4.31Å; L426-V513 HydrophobicContact CD2-CG1 3.96Å; L426-V513 HydrophobicContact CD2-CG2 3.88Å; L426-V513 HydrophobicContact CG-CG1 4.05Å; F510-V513 PolarHBondContact O-N 2.95Å; S511-V513 PolarHBondContact O-N 3.14Å; V513-L572 HydrophobicContact CG2-CD1 3.98Å; V513-L572 HydrophobicContact CG2-CD2 4.32Å |
| 514 | Y | 86.2 | Confident | 89.8 | Confident | 23 Ų | 23 | 17.3 Ų | 17.3 | 9% | 0.09 | 10% | 0.095 | C | C | . | . | trans | -137.9 | 79.5 | 179.9 | -168.2 | -120.6 | 0 | 0 | 0 | 112.1 | L430 A431 F510 S511 L516 A517 L520 | L430-Y514 HydrophobicContact CD2-CD1 4.14Å; L430-Y514 HydrophobicContact CD2-CG 4.22Å; L430-Y514 HydrophobicContact CG-CD1 4.33Å; A431-Y514 HydrophobicContact CB-CE1 4.1Å; A431-Y514 HydrophobicContact CB-CE2 4.2Å; F510-Y514 PolarHBondContact O-N 3.35Å; F510-Y514 VanDerWaalsContact O-N 3.09Å; S511-Y514 CarbonylContact O-C 3.51Å; S511-Y514 PolarHBondContact O-N 3.04Å; Y514-L516 HydrophobicContact CE1-CB 4.19Å; Y514-L516 HydrophobicContact CE2-CB 4.06Å; Y514-L516 PolarHBondContact O-N 3.27Å; Y514-L516 VanDerWaalsContact O-N 3.12Å; Y514-A517 HydrophobicContact CD1-CB 3.83Å; Y514-A517 HydrophobicContact CE1-CB 4.4Å; Y514-A517 VanDerWaalsContact O-CB 3.3Å; Y514-A517 WeakPolarHBondContact O-CB 3.45Å; Y514-A517 PolarHBondContact O-N 3.07Å; Y514-L520 HydrophobicContact CE1-CD1 4.06Å | ||
| 515 | P | 84.7 | Confident | 89.6 | Confident | 15 Ų | 15 | 17.3 Ų | 17.3 | 10% | 0.097 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -23.8 | -178.2 | -25 | 34.7 | 0 | 0 | 0 | 114.4 | F243 A517 | F243-P515 HydrophobicContact CE1-CB 4Å; F243-P515 HydrophobicContact CE1-CG 4.14Å; F243-P515 HydrophobicContact CZ-CB 4Å; P515-A517 PolarHBondContact O-N 3.09Å |
| 516 | L | 88.3 | Confident | 89.4 | Confident | 32 Ų | 32 | 19.5 Ų | 19.5 | 17% | 0.168 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -11.5 | 176.4 | -72.5 | -173.6 | 0 | 0 | 0 | 114.2 | V227 Y230 Y514 A518 V519 L520 | V227-L516 HydrophobicContact CG2-CD2 4.26Å; Y230-L516 HydrophobicContact CD1-CD1 3.39Å; Y230-L516 HydrophobicContact CD1-CD2 4.23Å; Y230-L516 HydrophobicContact CD1-CG 3.88Å; Y230-L516 HydrophobicContact CD2-CD1 3.63Å; Y230-L516 HydrophobicContact CD2-CG 3.72Å; Y230-L516 HydrophobicContact CE1-CD1 3.47Å; Y230-L516 VanDerWaalsContact CE1-CD1 3.47Å; Y230-L516 HydrophobicContact CE1-CG 4.42Å; Y230-L516 HydrophobicContact CE2-CD1 3.7Å; Y230-L516 HydrophobicContact CE2-CG 4.27Å; Y230-L516 HydrophobicContact CG-CD1 3.45Å; Y230-L516 VanDerWaalsContact CG-CD1 3.45Å; Y230-L516 HydrophobicContact CG-CD2 4.04Å; Y230-L516 HydrophobicContact CG-CG 3.48Å; Y230-L516 VanDerWaalsContact CG-CG 3.48Å; Y514-L516 HydrophobicContact CE1-CB 4.19Å; Y514-L516 HydrophobicContact CE2-CB 4.06Å; Y514-L516 PolarHBondContact O-N 3.27Å; Y514-L516 VanDerWaalsContact O-N 3.12Å; L516-A518 PolarHBondContact O-N 3.23Å; L516-V519 HydrophobicContact CD2-CG2 4.14Å; L516-V519 WeakPolarHBondContact O-CB 3.39Å; L516-V519 PolarHBondContact O-N 3.22Å; L516-L520 PolarHBondContact O-N 3.36Å |
| 517 | A | 90.3 | Very high | 89.2 | Confident | 2 Ų | 2 | 21.8 Ų | 21.8 | 2% | 0.017 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -50.1 | -46.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V507 Y514 P515 V519 L520 V521 | V507-A517 HydrophobicContact CG2-CB 4.16Å; Y514-A517 HydrophobicContact CD1-CB 3.83Å; Y514-A517 HydrophobicContact CE1-CB 4.4Å; Y514-A517 VanDerWaalsContact O-CB 3.3Å; Y514-A517 WeakPolarHBondContact O-CB 3.45Å; Y514-A517 PolarHBondContact O-N 3.07Å; P515-A517 PolarHBondContact O-N 3.09Å; A517-V519 VanDerWaalsContact C-N 3.28Å; A517-V519 PolarHBondContact O-N 3.31Å; A517-L520 PolarHBondContact O-N 2.92Å; A517-V521 WeakPolarHBondContact O-CG2 3.47Å; A517-V521 PolarHBondContact O-N 3.12Å |
| 518 | A | 92.1 | Very high | 89.1 | Confident | 4 Ų | 4 | 21.6 Ų | 21.6 | 3% | 0.033 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.9 | -34.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | M222 A223 V507 L516 V522 | M222-A518 HydrophobicContact CB-CB 3.86Å; A223-A518 HydrophobicContact CB-CB 4.07Å; V507-A518 HydrophobicContact CG1-CB 3.96Å; V507-A518 HydrophobicContact CG2-CB 4.45Å; L516-A518 PolarHBondContact O-N 3.23Å; A518-V522 WeakPolarHBondContact O-CB 3.26Å; A518-V522 VanDerWaalsContact O-CG2 3.25Å; A518-V522 WeakPolarHBondContact O-CG2 3.46Å; A518-V522 PolarHBondContact O-N 3.21Å |
| 519 | V | 92.5 | Very high | 88.9 | Confident | 39 Ų | 39 | 22.3 Ų | 22.3 | 24% | 0.236 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.2 | -47.6 | 177.2 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | A223 V227 L516 A517 V521 V522 L523 | A223-V519 HydrophobicContact CB-CG2 3.9Å; V227-V519 HydrophobicContact CG2-CG2 3.56Å; L516-V519 HydrophobicContact CD2-CG2 4.14Å; L516-V519 WeakPolarHBondContact O-CB 3.39Å; L516-V519 PolarHBondContact O-N 3.22Å; A517-V519 VanDerWaalsContact C-N 3.28Å; A517-V519 PolarHBondContact O-N 3.31Å; V519-V521 VanDerWaalsContact C-N 3.34Å; V519-V521 PolarHBondContact O-N 3.44Å; V519-V522 PolarHBondContact O-N 3.33Å; V519-L523 HydrophobicContact CG1-CD1 4.3Å; V519-L523 WeakPolarHBondContact O-CG 3.46Å; V519-L523 PolarHBondContact O-N 3.17Å |
| 520 | L | 91.1 | Very high | 88.6 | Confident | 46 Ų | 46 | 24.6 Ų | 24.6 | 24% | 0.241 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.1 | -40.3 | 179.9 | -64.6 | 178 | 0 | 0 | 0 | 111.4 | L434 I435 Y514 L516 A517 L523 N524 | L434-L520 HydrophobicContact CD2-CB 3.47Å; L434-L520 VanDerWaalsContact CD2-CB 3.47Å; L434-L520 HydrophobicContact CD2-CD1 3.63Å; L434-L520 HydrophobicContact CD2-CG 4.18Å; I435-L520 HydrophobicContact CD1-CD1 4.25Å; I435-L520 HydrophobicContact CG1-CD1 3.88Å; Y514-L520 HydrophobicContact CE1-CD1 4.06Å; L516-L520 PolarHBondContact O-N 3.36Å; A517-L520 PolarHBondContact O-N 2.92Å; L520-L523 PolarHBondContact O-N 3.5Å; L520-N524 WeakPolarHBondContact O-CB 3.21Å; L520-N524 PolarHBondContact O-N 3.25Å |
| 521 | V | 92.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.9 | -41.6 | 175.5 | 177.7 | 0 | 0 | 0 | 0 | 111.9 | L219 L434 L503 V507 A517 V519 L523 N524 N525 | L219-V521 HydrophobicContact CD1-CB 4.15Å; L219-V521 HydrophobicContact CD1-CG1 3.36Å; L434-V521 HydrophobicContact CD1-CG2 4.19Å; L434-V521 HydrophobicContact CD2-CG2 4.41Å; L503-V521 HydrophobicContact CB-CG1 3.84Å; L503-V521 HydrophobicContact CB-CG2 4.23Å; L503-V521 HydrophobicContact CD1-CG1 4.23Å; L503-V521 HydrophobicContact CD2-CG1 4.37Å; L503-V521 HydrophobicContact CD2-CG2 3.86Å; L503-V521 HydrophobicContact CG-CG1 4.39Å; V507-V521 HydrophobicContact CG2-CB 3.99Å; V507-V521 HydrophobicContact CG2-CG1 4.49Å; V507-V521 HydrophobicContact CG2-CG2 3.44Å; V507-V521 VanDerWaalsContact CG2-CG2 3.44Å; A517-V521 WeakPolarHBondContact O-CG2 3.47Å; A517-V521 PolarHBondContact O-N 3.12Å; V519-V521 VanDerWaalsContact C-N 3.34Å; V519-V521 PolarHBondContact O-N 3.44Å; V521-L523 VanDerWaalsContact C-N 3.33Å; V521-L523 PolarHBondContact O-N 3.31Å; V521-N524 PolarHBondContact O-N 3.21Å; V521-N525 VanDerWaalsContact O-CG 3.25Å; V521-N525 PolarHBondContact O-N 3.33Å; V521-N525 PolarHBondContact O-OD1 3.23Å |
| 522 | V | 93.3 | Very high | 88.9 | Confident | 22 Ų | 22 | 25 Ų | 25 | 13% | 0.133 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.9 | -42.7 | 176 | 168.2 | 0 | 0 | 0 | 0 | 111 | L219 V220 A223 A518 V519 N524 N525 V526 | L219-V522 HydrophobicContact CB-CG2 3.57Å; V220-V522 HydrophobicContact CG2-CG1 4.14Å; V220-V522 HydrophobicContact CG2-CG2 4.38Å; A223-V522 HydrophobicContact CB-CG2 4.26Å; A518-V522 WeakPolarHBondContact O-CB 3.26Å; A518-V522 VanDerWaalsContact O-CG2 3.25Å; A518-V522 WeakPolarHBondContact O-CG2 3.46Å; A518-V522 PolarHBondContact O-N 3.21Å; V519-V522 PolarHBondContact O-N 3.33Å; V522-N524 VanDerWaalsContact C-N 3.34Å; V522-N525 PolarHBondContact O-N 3.17Å; V522-V526 VanDerWaalsContact O-CG2 3.29Å; V522-V526 WeakPolarHBondContact O-CG2 3.25Å; V522-V526 PolarHBondContact O-N 3.15Å |
| 523 | L | 90.8 | Very high | 89.3 | Confident | 109 Ų | 109 | 24.7 Ų | 24.7 | 57% | 0.571 | 14% | 0.136 | S | C | * | . | H | α-helix | trans | -62.3 | -42.2 | 176.3 | -69.7 | 173.9 | 0 | 0 | 0 | 111.8 | V519 L520 V521 V526 T527 | V519-L523 HydrophobicContact CG1-CD1 4.3Å; V519-L523 WeakPolarHBondContact O-CG 3.46Å; V519-L523 PolarHBondContact O-N 3.17Å; L520-L523 PolarHBondContact O-N 3.5Å; V521-L523 VanDerWaalsContact C-N 3.33Å; V521-L523 PolarHBondContact O-N 3.31Å; L523-V526 PolarHBondContact O-N 3.16Å; L523-T527 PolarHBondContact O-N 3.03Å; L523-T527 PolarHBondContact O-OG1 3.28Å |
| 524 | N | 90.2 | Very high | 89.4 | Confident | 9 Ų | 9 | 24.8 Ų | 24.8 | 5% | 0.048 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.8 | -49.9 | 175.2 | -169.2 | 74 | 0 | 0 | 0 | 111.6 | Q438 E499 L520 V521 V522 V526 T527 E528 | Q438-N524 HydrophobicContact CG-CB 4.16Å; Q438-N524 PolarHBondContact OE1-ND2 2.91Å; Q438-N524 VanDerWaalsContact OE1-ND2 3.13Å; Q438-N524 PolarHBondContact OE1-OD1 3.38Å; Q438-N524 VanDerWaalsContact OE1-OD1 3.08Å; E499-N524 PolarHBondContact OE1-ND2 3.21Å; E499-N524 VanDerWaalsContact OE1-ND2 3.12Å; L520-N524 WeakPolarHBondContact O-CB 3.21Å; L520-N524 PolarHBondContact O-N 3.25Å; V521-N524 PolarHBondContact O-N 3.21Å; V522-N524 VanDerWaalsContact C-N 3.34Å; N524-V526 VanDerWaalsContact C-N 3.25Å; N524-V526 PolarHBondContact O-N 2.86Å; N524-T527 PolarHBondContact O-N 3.01Å; N524-T527 VanDerWaalsContact O-N 3.07Å; N524-T527 PolarHBondContact O-OG1 3.31Å; N524-E528 WeakPolarHBondContact O-CB 3.47Å; N524-E528 PolarHBondContact O-N 2.88Å |
| 525 | N | 91.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.1 | -32.2 | -177.7 | -64.2 | -1.6 | 0 | 0 | 0 | 112.1 | L212 T216 V521 V522 E528 V529 | L212-N525 HydrophobicContact CD1-CB 4.25Å; T216-N525 HydrophobicContact CG2-CB 4.01Å; T216-N525 WeakPolarHBondContact OG1-CB 3.49Å; V521-N525 VanDerWaalsContact O-CG 3.25Å; V521-N525 PolarHBondContact O-N 3.33Å; V521-N525 PolarHBondContact O-OD1 3.23Å; V522-N525 PolarHBondContact O-N 3.17Å; N525-E528 PolarHBondContact O-N 3.48Å; N525-V529 WeakPolarHBondContact O-CG2 3.43Å; N525-V529 PolarHBondContact O-N 2.98Å |
| 526 | V | 89.6 | Confident | 89.6 | Confident | 47 Ų | 47 | 24 Ų | 24 | 29% | 0.285 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -62.8 | -43.2 | 173.7 | 168.3 | 0 | 0 | 0 | 0 | 110.8 | T216 V522 L523 N524 E528 Y530 | T216-V526 HydrophobicContact CG2-CG2 3.95Å; V522-V526 VanDerWaalsContact O-CG2 3.29Å; V522-V526 WeakPolarHBondContact O-CG2 3.25Å; V522-V526 PolarHBondContact O-N 3.15Å; L523-V526 PolarHBondContact O-N 3.16Å; N524-V526 VanDerWaalsContact C-N 3.25Å; N524-V526 PolarHBondContact O-N 2.86Å; V526-E528 VanDerWaalsContact C-N 3.31Å; V526-Y530 HydrophobicContact CG1-CE2 4.47Å; V526-Y530 WeakPolarHBondContact O-CD2 3.29Å; V526-Y530 WeakPolarHBondContact O-CE2 3.25Å |
| 527 | T | 86.8 | Confident | 89.6 | Confident | 62 Ų | 62 | 22.6 Ų | 22.6 | 38% | 0.38 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -69.1 | -34.7 | 174.2 | 48.7 | 0 | 0 | 0 | 0 | 111.4 | Q442 L523 N524 V529 Y530 S531 | Q442-T527 PolarHBondContact OE1-OG1 2.9Å; L523-T527 PolarHBondContact O-N 3.03Å; L523-T527 PolarHBondContact O-OG1 3.28Å; N524-T527 PolarHBondContact O-N 3.01Å; N524-T527 VanDerWaalsContact O-N 3.07Å; N524-T527 PolarHBondContact O-OG1 3.31Å; T527-V529 PolarHBondContact O-N 3.37Å; T527-Y530 PolarHBondContact O-N 2.86Å; T527-Y530 VanDerWaalsContact O-N 3.1Å; T527-S531 PolarHBondContact O-N 3.5Å; T527-S531 PolarHBondContact O-OG 3.39Å |
| 528 | E | 89.4 | Confident | 89.3 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.5 | -42.4 | -177.3 | -155.6 | 50.7 | -114.4 | 0 | 0 | 113.1 | L212 N524 N525 V526 Y530 S531 D532 K535 | L212-E528 HydrophobicContact CD1-CB 4.5Å; N524-E528 WeakPolarHBondContact O-CB 3.47Å; N524-E528 PolarHBondContact O-N 2.88Å; N525-E528 PolarHBondContact O-N 3.48Å; V526-E528 VanDerWaalsContact C-N 3.31Å; E528-Y530 PolarHBondContact O-N 2.9Å; E528-Y530 VanDerWaalsContact O-N 3.07Å; E528-S531 VanDerWaalsContact CA-OG 3.23Å; E528-S531 WeakPolarHBondContact CA-OG 3.48Å; E528-S531 VanDerWaalsContact CD-OG 3.26Å; E528-S531 PolarHBondContact O-N 2.86Å; E528-S531 VanDerWaalsContact O-N 3.17Å; E528-S531 PolarHBondContact O-OG 2.93Å; E528-S531 PolarHBondContact OE1-OG 3.48Å; E528-S531 PolarHBondContact OE2-OG 3.18Å; E528-D532 WeakPolarHBondContact O-CB 3.49Å; E528-D532 PolarHBondContact O-N 3.22Å; E528-D532 VanDerWaalsContact OE1-CG 3.29Å; E528-D532 VanDerWaalsContact OE1-OD1 3.12Å; E528-K535 IonicContact OE1-NZ 3.71Å |
| 529 | V | 88.6 | Confident | 88.9 | Confident | 18 Ų | 18 | 26 Ų | 26 | 11% | 0.109 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -51.1 | -38.4 | 174 | 168.1 | 0 | 0 | 0 | 0 | 111.8 | Q192 L212 N525 T527 A533 | Q192-V529 HydrophobicContact CG-CG1 4.09Å; L212-V529 HydrophobicContact CD2-CB 4.32Å; L212-V529 HydrophobicContact CD2-CG2 3.63Å; L212-V529 HydrophobicContact CG-CG2 3.71Å; N525-V529 WeakPolarHBondContact O-CG2 3.43Å; N525-V529 PolarHBondContact O-N 2.98Å; T527-V529 PolarHBondContact O-N 3.37Å; V529-A533 VanDerWaalsContact O-CB 3.32Å; V529-A533 WeakPolarHBondContact O-CB 3.28Å |
| 530 | Y | 86.9 | Confident | 88.7 | Confident | 49 Ų | 49 | 26.2 Ų | 26.2 | 19% | 0.192 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -86.6 | -36.4 | -179.6 | -62.3 | -80.7 | 0 | 0 | 0 | 113.2 | F187 K188 V526 T527 E528 F534 | F187-Y530 HydrophobicContact CD2-CE2 4.47Å; F187-Y530 HydrophobicContact CE2-CE2 4.23Å; K188-Y530 PolarHBondContact O-OH 3.34Å; V526-Y530 HydrophobicContact CG1-CE2 4.47Å; V526-Y530 WeakPolarHBondContact O-CD2 3.29Å; V526-Y530 WeakPolarHBondContact O-CE2 3.25Å; T527-Y530 PolarHBondContact O-N 2.86Å; T527-Y530 VanDerWaalsContact O-N 3.1Å; E528-Y530 PolarHBondContact O-N 2.9Å; E528-Y530 VanDerWaalsContact O-N 3.07Å; Y530-F534 WeakPolarHBondContact O-CB 3.42Å; Y530-F534 PolarHBondContact O-N 3.21Å |
| 531 | S | 86.9 | Confident | 88.6 | Confident | 7 Ų | 7 | 24.4 Ų | 24.4 | 5% | 0.049 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.3 | -44.3 | 177.6 | 42.9 | 0 | 0 | 0 | 0 | 111.9 | T527 E528 F534 K535 | T527-S531 PolarHBondContact O-N 3.5Å; T527-S531 PolarHBondContact O-OG 3.39Å; E528-S531 VanDerWaalsContact CA-OG 3.23Å; E528-S531 WeakPolarHBondContact CA-OG 3.48Å; E528-S531 VanDerWaalsContact CD-OG 3.26Å; E528-S531 PolarHBondContact O-N 2.86Å; E528-S531 VanDerWaalsContact O-N 3.17Å; E528-S531 PolarHBondContact O-OG 2.93Å; E528-S531 PolarHBondContact OE1-OG 3.48Å; E528-S531 PolarHBondContact OE2-OG 3.18Å; S531-F534 WeakPolarHBondContact O-CB 3.32Å; S531-F534 PolarHBondContact O-N 3.44Å; S531-K535 WeakPolarHBondContact O-CG 3.4Å; S531-K535 PolarHBondContact O-N 3.31Å |
| 532 | D | 89.3 | Confident | 88.7 | Confident | 6 Ų | 6 | 24.6 Ų | 24.6 | 3% | 0.032 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.6 | -46.6 | 176.3 | -82.3 | -23.4 | 0 | 0 | 0 | 112.4 | Y208 F209 E528 F534 K535 M536 | Y208-D532 VanDerWaalsContact CE1-OD2 3.3Å; Y208-D532 WeakPolarHBondContact CE1-OD2 3.4Å; Y208-D532 VanDerWaalsContact CZ-OD2 3.29Å; Y208-D532 PolarHBondContact OH-OD2 2.85Å; F209-D532 HydrophobicContact CE1-CB 3.52Å; F209-D532 HydrophobicContact CZ-CB 3.67Å; E528-D532 WeakPolarHBondContact O-CB 3.49Å; E528-D532 PolarHBondContact O-N 3.22Å; E528-D532 VanDerWaalsContact OE1-CG 3.29Å; E528-D532 VanDerWaalsContact OE1-OD1 3.12Å; D532-F534 PolarHBondContact O-N 2.88Å; D532-K535 PolarHBondContact O-N 2.92Å; D532-K535 WeakPolarHBondContact OD1-CE 3.33Å; D532-K535 IonicContact OD1-NZ 3.72Å; D532-K535 PolarHBondContact OD1-NZ 3.05Å; D532-M536 VanDerWaalsContact O-CG 3.29Å; D532-M536 WeakPolarHBondContact O-CG 3.29Å; D532-M536 PolarHBondContact O-N 3.26Å |
| 533 | A | 89.6 | Confident | 88.8 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.7 | -40.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | W183 Y184 V529 C537 | W183-A533 HydrophobicContact CD2-CB 3.62Å; W183-A533 HydrophobicContact CE3-CB 4.04Å; W183-A533 HydrophobicContact CG-CB 4.02Å; W183-A533 HydrophobicContact CH2-CB 4.33Å; W183-A533 HydrophobicContact CZ2-CB 3.93Å; W183-A533 HydrophobicContact CZ3-CB 4.36Å; Y184-A533 HydrophobicContact CD1-CB 4.18Å; Y184-A533 HydrophobicContact CG-CB 4.41Å; V529-A533 VanDerWaalsContact O-CB 3.32Å; V529-A533 WeakPolarHBondContact O-CB 3.28Å; A533-C537 WeakPolarHBondContact O-CB 3.48Å; A533-C537 PolarHBondContact O-N 3Å; A533-C537 VanDerWaalsContact O-N 3.14Å; A533-C537 PolarHBondContact O-SG 3.33Å |
| 534 | F | 87.5 | Confident | 88.9 | Confident | 31 Ų | 31 | 20.4 Ų | 20.4 | 14% | 0.136 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.8 | -45.7 | 175.5 | 177.9 | -91.3 | 0 | 0 | 0 | 112.5 | Y184 Y450 Y530 S531 D532 M536 C537 H538 V539 | Y184-F534 HydrophobicContact CE2-CD2 4.12Å; Y450-F534 AromaticContact CD2-CE1 3.86Å; Y450-F534 HydrophobicContact CD2-CE1 3.86Å; Y450-F534 AromaticContact CD2-CE2 3.75Å; Y450-F534 HydrophobicContact CD2-CE2 3.75Å; Y450-F534 AromaticContact CD2-CZ 3.36Å; Y450-F534 HydrophobicContact CD2-CZ 3.36Å; Y450-F534 HydrophobicContact CE2-CE2 4.21Å; Y450-F534 HydrophobicContact CE2-CZ 4.16Å; Y450-F534 HydrophobicContact CG-CE1 4.36Å; Y450-F534 HydrophobicContact CG-CZ 4.2Å; Y530-F534 WeakPolarHBondContact O-CB 3.42Å; Y530-F534 PolarHBondContact O-N 3.21Å; S531-F534 WeakPolarHBondContact O-CB 3.32Å; S531-F534 PolarHBondContact O-N 3.44Å; D532-F534 PolarHBondContact O-N 2.88Å; F534-M536 VanDerWaalsContact C-N 3.31Å; F534-M536 PolarHBondContact O-N 3.3Å; F534-C537 PolarHBondContact O-N 3.39Å; F534-H538 AromaticContact CD2-CD2 3.81Å; F534-H538 HydrophobicContact CE1-CB 4.42Å; F534-H538 HydrophobicContact CE2-CB 4.14Å; F534-H538 AromaticContact CE2-CD2 3.52Å; F534-H538 HydrophobicContact CZ-CB 4Å; F534-H538 PolarHBondContact O-N 3.43Å; F534-V539 HydrophobicContact CD1-CG2 4.42Å; F534-V539 HydrophobicContact CE1-CG2 4.06Å |
| 535 | K | 86.8 | Confident | 89 | Confident | 13 Ų | 13 | 20.2 Ų | 20.2 | 6% | 0.057 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -55.4 | -47.6 | 176.9 | -79.2 | -175.9 | -68.8 | -178.7 | 0 | 110.4 | E445 E528 S531 D532 C537 H538 V539 F540 | E445-K535 HydrophobicContact CB-CD 4.33Å; E445-K535 WeakPolarHBondContact O-CD 3.45Å; E445-K535 WeakPolarHBondContact O-CG 3.37Å; E445-K535 IonicContact OE2-NZ 2.8Å; E445-K535 PolarHBondContact OE2-NZ 3.35Å; E528-K535 IonicContact OE1-NZ 3.71Å; S531-K535 WeakPolarHBondContact O-CG 3.4Å; S531-K535 PolarHBondContact O-N 3.31Å; D532-K535 PolarHBondContact O-N 2.92Å; D532-K535 WeakPolarHBondContact OD1-CE 3.33Å; D532-K535 IonicContact OD1-NZ 3.72Å; D532-K535 PolarHBondContact OD1-NZ 3.05Å; K535-C537 PolarHBondContact O-N 2.99Å; K535-H538 PolarHBondContact O-N 3.18Å; K535-V539 HydrophobicContact CG-CG2 4.48Å; K535-V539 WeakPolarHBondContact O-CA 3.44Å; K535-V539 WeakPolarHBondContact O-CB 3.42Å; K535-V539 PolarHBondContact O-N 3.46Å; K535-F540 HydrophobicContact CB-CD2 4.16Å; K535-F540 HydrophobicContact CB-CE2 3.93Å; K535-F540 HydrophobicContact CD-CE2 4.29Å; K535-F540 HydrophobicContact CG-CE2 4.44Å; K535-F540 PolarHBondContact O-N 2.9Å; K535-F540 VanDerWaalsContact O-N 3.15Å |
| 536 | M | 88.3 | Confident | 88.6 | Confident | 7 Ų | 7 | 24 Ų | 24 | 3% | 0.034 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.3 | -34.4 | -179.5 | -67.6 | -63.5 | -75.8 | 0 | 0 | 113.3 | W183 Y201 Q205 F209 Y490 D532 F534 F540 P543 | W183-M536 HydrophobicContact CH2-CB 4.49Å; Y201-M536 HydrophobicContact CD1-CE 3.82Å; Y201-M536 HydrophobicContact CE1-CB 4.47Å; Y201-M536 HydrophobicContact CE1-CE 3.95Å; Y201-M536 HydrophobicContact CG-CE 4.29Å; Y201-M536 PolarHBondContact OH-O 3.42Å; Q205-M536 HydrophobicContact CG-CE 4.07Å; F209-M536 HydrophobicContact CE2-CG 4.29Å; F209-M536 HydrophobicContact CZ-CG 4.17Å; Y490-M536 HydrophobicContact CD1-SD 4.45Å; Y490-M536 HydrophobicContact CD2-SD 3.94Å; Y490-M536 HydrophobicContact CE1-CE 4.44Å; Y490-M536 HydrophobicContact CE1-SD 4.4Å; Y490-M536 HydrophobicContact CE2-SD 3.93Å; Y490-M536 HydrophobicContact CG-SD 4.2Å; D532-M536 VanDerWaalsContact O-CG 3.29Å; D532-M536 WeakPolarHBondContact O-CG 3.29Å; D532-M536 PolarHBondContact O-N 3.26Å; F534-M536 VanDerWaalsContact C-N 3.31Å; F534-M536 PolarHBondContact O-N 3.3Å; M536-F540 HydrophobicContact SD-CD2 4.43Å; M536-P543 HydrophobicContact CE-CG 3.77Å |
| 537 | C | 88.2 | Confident | 88.5 | Confident | 4 Ų | 4 | 23.4 Ų | 23.4 | 3% | 0.027 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -81.9 | -28 | -179.1 | -69.1 | 0 | 0 | 0 | 0 | 114 | L176 Y184 A533 F534 K535 | L176-C537 HydrophobicContact CD1-CB 4.18Å; L176-C537 WeakPolarHBondContact CD2-O 3.37Å; Y184-C537 HydrophobicContact CE1-CB 4.22Å; A533-C537 WeakPolarHBondContact O-CB 3.48Å; A533-C537 PolarHBondContact O-N 3Å; A533-C537 VanDerWaalsContact O-N 3.14Å; A533-C537 PolarHBondContact O-SG 3.33Å; F534-C537 PolarHBondContact O-N 3.39Å; K535-C537 PolarHBondContact O-N 2.99Å |
| 538 | H | 82.8 | Confident | 88.6 | Confident | 59 Ų | 59 | 21.7 Ų | 21.7 | 27% | 0.273 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -134.5 | -18.8 | -165.5 | -72.8 | -44 | 0 | 0 | 0 | 115.6 | Y184 Q453 F534 K535 | Y184-H538 PolarHBondContact OH-CD2 3.12Å; Y184-H538 VanDerWaalsContact OH-CD2 3.27Å; Y184-H538 PolarHBondContact OH-NE2 2.81Å; Q453-H538 HydrophobicContact CG-CB 4.42Å; Q453-H538 PolarHBondContact NE2-O 2.89Å; Q453-H538 PolarHBondContact OE1-O 2.94Å; F534-H538 AromaticContact CD2-CD2 3.81Å; F534-H538 HydrophobicContact CE1-CB 4.42Å; F534-H538 HydrophobicContact CE2-CB 4.14Å; F534-H538 AromaticContact CE2-CD2 3.52Å; F534-H538 HydrophobicContact CZ-CB 4Å; F534-H538 PolarHBondContact O-N 3.43Å; K535-H538 PolarHBondContact O-N 3.18Å |
| 539 | V | 83.9 | Confident | 88.6 | Confident | 17 Ų | 17 | 22.8 Ų | 22.8 | 10% | 0.103 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -48.1 | -174.8 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | P449 M487 S488 F534 K535 | P449-V539 HydrophobicContact CB-CB 4.47Å; P449-V539 HydrophobicContact CB-CG1 3.98Å; P449-V539 HydrophobicContact CB-CG2 3.64Å; M487-V539 VanDerWaalsContact CE-C 3.48Å; M487-V539 VanDerWaalsContact CE-O 3.23Å; M487-V539 WeakPolarHBondContact CE-O 3.44Å; S488-V539 PolarHBondContact OG-O 3.16Å; F534-V539 HydrophobicContact CD1-CG2 4.42Å; F534-V539 HydrophobicContact CE1-CG2 4.06Å; K535-V539 HydrophobicContact CG-CG2 4.48Å; K535-V539 WeakPolarHBondContact O-CA 3.44Å; K535-V539 WeakPolarHBondContact O-CB 3.42Å; K535-V539 PolarHBondContact O-N 3.46Å |
| 540 | F | 88.1 | Confident | 88.8 | Confident | 44 Ų | 44 | 25.7 Ų | 25.7 | 19% | 0.193 | 14% | 0.138 | C | C | . | . | B | Isolated β-bridge | trans | -93.8 | 152.3 | -175.3 | -62.5 | -61.3 | 0 | 0 | 0 | 113.2 | M487 S488 Y490 K535 M536 | M487-F540 WeakPolarHBondContact CE-O 3.44Å; S488-F540 CarbonylContact O-C 3.2Å; S488-F540 VanDerWaalsContact O-CA 3.32Å; S488-F540 WeakPolarHBondContact O-CA 3.48Å; S488-F540 VanDerWaalsContact OG-CD1 3.23Å; S488-F540 WeakPolarHBondContact OG-CD1 3.34Å; Y490-F540 AromaticContact CD2-CD2 3.78Å; Y490-F540 HydrophobicContact CD2-CD2 3.78Å; Y490-F540 AromaticContact CD2-CE2 3.85Å; Y490-F540 HydrophobicContact CD2-CE2 3.85Å; Y490-F540 HydrophobicContact CD2-CG 4.26Å; Y490-F540 HydrophobicContact CD2-CZ 4.41Å; Y490-F540 HydrophobicContact CE2-CE2 4.5Å; Y490-F540 HydrophobicContact CG-CD2 4.48Å; K535-F540 HydrophobicContact CB-CD2 4.16Å; K535-F540 HydrophobicContact CB-CE2 3.93Å; K535-F540 HydrophobicContact CD-CE2 4.29Å; K535-F540 HydrophobicContact CG-CE2 4.44Å; K535-F540 PolarHBondContact O-N 2.9Å; K535-F540 VanDerWaalsContact O-N 3.15Å; M536-F540 HydrophobicContact SD-CD2 4.43Å |
| 541 | K | 90.6 | Very high | 89 | Confident | 9 Ų | 9 | 23.7 Ų | 23.7 | 4% | 0.039 | 13% | 0.131 | C | C | . | . | P | Polyproline II helix | trans | -54.6 | 153.6 | 159.3 | -68.2 | 171.6 | 174.5 | 141.8 | 0 | 109.3 | F168 E484 A485 M487 S488 P543 | F168-K541 HydrophobicContact CB-CD 4.28Å; F168-K541 HydrophobicContact CG-CD 4.22Å; E484-K541 WeakPolarHBondContact O-CE 3.24Å; E484-K541 WeakPolarHBondContact O-CG 3.47Å; A485-K541 WeakPolarHBondContact O-CE 3.33Å; A485-K541 PolarHBondContact O-NZ 3.15Å; M487-K541 HydrophobicContact CB-CG 3.7Å; M487-K541 WeakPolarHBondContact O-CE 3.39Å; M487-K541 PolarHBondContact O-NZ 3.31Å; S488-K541 PolarHBondContact O-N 2.95Å; K541-P543 VanDerWaalsContact O-CD 3.29Å; K541-P543 WeakPolarHBondContact O-CD 3.34Å; K541-P543 VanDerWaalsContact O-N 3.16Å |
| 542 | R | 94.1 | Very high | 89.2 | Confident | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.015 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -58.2 | 121.8 | 169.9 | -170.6 | 176.6 | -175.6 | 175 | -2.8 | 108.3 | M118 Q122 P169 L170 H171 Y200 Y201 | M118-R542 PolarHBondContact SD-NH1 2.87Å; Q122-R542 VanDerWaalsContact OE1-NE 3.1Å; Q122-R542 VanDerWaalsContact OE1-NH1 3.08Å; P169-R542 WeakPolarHBondContact CD-O 3.48Å; P169-R542 HydrophobicContact CG-CB 4.02Å; P169-R542 HydrophobicContact CG-CG 4.07Å; P169-R542 WeakPolarHBondContact CG-O 3.38Å; L170-R542 WeakPolarHBondContact O-CD 3.5Å; L170-R542 PolarHBondContact O-NH1 3.36Å; H171-R542 WeakPolarHBondContact NE2-CA 3.24Å; H171-R542 PolarHBondContact NE2-N 3.36Å; Y200-R542 VanDerWaalsContact O-CZ 3.3Å; Y200-R542 PolarHBondContact O-NE 3.14Å; Y200-R542 PolarHBondContact O-NH2 3.44Å; Y201-R542 HydrophobicContact CE1-CG 4.49Å |
| 543 | P | 94.1 | Very high | 89.3 | Confident | 18 Ų | 18 | 25.5 Ų | 25.5 | 12% | 0.117 | 15% | 0.147 | C | C | . | . | P | Polyproline II helix | trans | -71 | 153.8 | 169.4 | 30 | -34.3 | 0 | 0 | 0 | 109.8 | Y201 Q205 Y490 M536 K541 | Y201-P543 HydrophobicContact CD1-CG 3.98Å; Q205-P543 HydrophobicContact CG-CG 4.36Å; Y490-P543 HydrophobicContact CD1-CB 3.97Å; Y490-P543 HydrophobicContact CD1-CG 4.18Å; M536-P543 HydrophobicContact CE-CG 3.77Å; K541-P543 VanDerWaalsContact O-CD 3.29Å; K541-P543 WeakPolarHBondContact O-CD 3.34Å; K541-P543 VanDerWaalsContact O-N 3.16Å |
| 544 | F | 93.3 | Very high | 89.5 | Confident | 24 Ų | 24 | 26 Ų | 26 | 11% | 0.105 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -66.2 | 142.6 | 166.7 | -75.3 | -74.7 | 0 | 0 | 0 | 110 | V16 K126 M167 P169 D546 | V16-F544 HydrophobicContact CG1-CE1 4.43Å; V16-F544 HydrophobicContact CG1-CZ 4.05Å; V16-F544 HydrophobicContact CG2-CE1 3.96Å; V16-F544 HydrophobicContact CG2-CZ 4.41Å; K126-F544 HydrophobicContact CB-CD1 3.8Å; K126-F544 HydrophobicContact CB-CE1 3.71Å; K126-F544 HydrophobicContact CB-CG 4.42Å; K126-F544 HydrophobicContact CB-CZ 4.23Å; K126-F544 HydrophobicContact CD-CB 3.62Å; K126-F544 HydrophobicContact CD-CD1 3.68Å; K126-F544 HydrophobicContact CD-CD2 3.77Å; K126-F544 HydrophobicContact CD-CE1 4.23Å; K126-F544 HydrophobicContact CD-CE2 4.28Å; K126-F544 HydrophobicContact CD-CG 3.42Å; K126-F544 VanDerWaalsContact CD-CG 3.42Å; K126-F544 HydrophobicContact CG-CD1 4.27Å; K126-F544 HydrophobicContact CG-CE1 4.38Å; K126-F544 HydrophobicContact CG-CG 4.4Å; M167-F544 HydrophobicContact CE-CE2 3.84Å; M167-F544 HydrophobicContact CE-CZ 3.98Å; M167-F544 HydrophobicContact CG-CE2 4.14Å; M167-F544 HydrophobicContact CG-CZ 3.88Å; M167-F544 WeakPolarHBondContact O-CE2 3.4Å; M167-F544 HydrophobicContact SD-CZ 4.4Å; P169-F544 HydrophobicContact CB-CD1 4.11Å; P169-F544 HydrophobicContact CB-CE1 3.89Å; P169-F544 HydrophobicContact CB-CZ 4.43Å; P169-F544 HydrophobicContact CG-CD1 3.8Å; P169-F544 HydrophobicContact CG-CD2 4.37Å; P169-F544 HydrophobicContact CG-CE1 3.9Å; P169-F544 HydrophobicContact CG-CE2 4.49Å; P169-F544 HydrophobicContact CG-CG 4.04Å; P169-F544 HydrophobicContact CG-CZ 4.25Å; F544-D546 PolarHBondContact O-N 3.16Å |
| 545 | A | 91.7 | Very high | 89.9 | Confident | 6 Ų | 6 | 25.7 Ų | 25.7 | 5% | 0.05 | 15% | 0.147 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 129.3 | 173 | 0 | 0 | 0 | 0 | 0 | 109.6 | A119 Y123 Y201 | A119-A545 HydrophobicContact CB-CB 4.07Å; Y123-A545 WeakPolarHBondContact CD2-O 3.35Å; Y123-A545 WeakPolarHBondContact CE2-O 3.48Å; Y201-A545 WeakPolarHBondContact O-CA 3.44Å |
| 546 | D | 83.8 | Confident | 90.2 | Very high | 78 Ų | 78 | 30 Ų | 30 | 42% | 0.417 | 17% | 0.17 | S | C | . | . | trans | -116.3 | 114.3 | 174.8 | -67.9 | -43.6 | 0 | 0 | 0 | 108.5 | K126 G204 F544 A548 | K126-D546 IonicContact NZ-OD1 2.82Å; K126-D546 PolarHBondContact NZ-OD1 2.99Å; K126-D546 VanDerWaalsContact NZ-OD1 3.14Å; G204-D546 PolarHBondContact N-O 3.27Å; F544-D546 PolarHBondContact O-N 3.16Å; D546-A548 PolarHBondContact O-N 3.45Å | ||
| 547 | P | 87.6 | Confident | 90.5 | Very high | 35 Ų | 35 | 30 Ų | 30 | 23% | 0.227 | 17% | 0.172 | C | C | . | . | trans | -63.9 | 122.6 | -180 | -27.5 | 38.2 | 0 | 0 | 0 | 111.3 | Y123 T271 | Y123-P547 HydrophobicContact CD1-CG 4.25Å; Y123-P547 HydrophobicContact CE1-CG 3.64Å; Y123-P547 HydrophobicContact CE2-CG 4.2Å; Y123-P547 VanDerWaalsContact CZ-CD 3.44Å; T271-P547 HydrophobicContact CG2-CB 4.2Å | ||
| 548 | A | 88.9 | Confident | 90.9 | Very high | 26 Ų | 26 | 29.9 Ų | 29.9 | 22% | 0.215 | 17% | 0.171 | C | C | . | . | trans | -133.1 | 139.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L207 T271 D546 | L207-A548 HydrophobicContact CD1-CB 3.71Å; T271-A548 VanDerWaalsContact CB-O 3.3Å; T271-A548 WeakPolarHBondContact CB-O 3.47Å; T271-A548 PolarHBondContact OG1-O 3.01Å; D546-A548 PolarHBondContact O-N 3.45Å | ||
| 549 | A | 90.8 | Very high | 91.5 | Very high | 23 Ų | 23 | 29.4 Ų | 29.4 | 19% | 0.19 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -103 | -14.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A266 | A266-A549 HydrophobicContact CB-CB 4.26Å; A266-A549 VanDerWaalsContact CB-O 3.24Å; A266-A549 WeakPolarHBondContact CB-O 3.36Å |
| 550 | N | 92 | Very high | 92.1 | Very high | 79 Ų | 79 | 31.8 Ų | 31.8 | 42% | 0.422 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -160.4 | 175.4 | 178.3 | 57.2 | 37.2 | 0 | 0 | 0 | 109.7 | G552 | N550-G552 PolarHBondContact O-N 3.35Å; N550-G552 VanDerWaalsContact O-N 3.15Å; N550-G552 WeakPolarHBondContact OD1-CA 3.49Å; N550-G552 PolarHBondContact OD1-N 2.95Å |
| 551 | I | 91.9 | Very high | 92.4 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.041 | 18% | 0.175 | C | C | . | . | trans | -73.8 | 6.1 | 177.5 | 66.1 | 170.3 | 0 | 0 | 0 | 113.5 | F211 W258 Y497 W554 Q555 F558 | F211-I551 HydrophobicContact CB-CG2 4.44Å; F211-I551 HydrophobicContact CD2-CD1 4.46Å; F211-I551 HydrophobicContact CE2-CD1 4.27Å; F211-I551 HydrophobicContact CZ-CD1 4.5Å; W258-I551 HydrophobicContact CZ2-CG2 3.58Å; Y497-I551 HydrophobicContact CE1-CB 4.16Å; Y497-I551 HydrophobicContact CE1-CG2 3.97Å; Y497-I551 VanDerWaalsContact OH-CG2 3.3Å; Y497-I551 WeakPolarHBondContact OH-CG2 3.3Å; I551-W554 HydrophobicContact CB-CB 4.34Å; I551-W554 HydrophobicContact CD1-CB 3.91Å; I551-W554 HydrophobicContact CG1-CB 4.11Å; I551-W554 WeakPolarHBondContact O-CB 3.2Å; I551-W554 VanDerWaalsContact O-CD1 3.25Å; I551-Q555 HydrophobicContact CD1-CB 4.19Å; I551-Q555 HydrophobicContact CG1-CB 4.01Å; I551-F558 HydrophobicContact CD1-CD2 4.4Å | ||
| 552 | G | 89.8 | Confident | 92.6 | Very high | 26 Ų | 26 | 29.4 Ų | 29.4 | 27% | 0.268 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | -137.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N550 W554 Q555 | N550-G552 PolarHBondContact O-N 3.35Å; N550-G552 VanDerWaalsContact O-N 3.15Å; N550-G552 WeakPolarHBondContact OD1-CA 3.49Å; N550-G552 PolarHBondContact OD1-N 2.95Å; G552-W554 PolarHBondContact O-N 2.95Å; G552-Q555 PolarHBondContact O-N 3.47Å |
| 553 | V | 91.6 | Very high | 92.7 | Very high | 25 Ų | 25 | 31.2 Ų | 31.2 | 15% | 0.152 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.3 | -21.1 | -178.8 | 169 | 0 | 0 | 0 | 0 | 112.8 | N395 V398 Q555 L556 A557 | N395-V553 HydrophobicContact CB-CG2 3.41Å; N395-V553 VanDerWaalsContact CB-CG2 3.41Å; N395-V553 WeakPolarHBondContact OD1-CG2 3.38Å; V398-V553 HydrophobicContact CG1-CB 4.38Å; V398-V553 HydrophobicContact CG1-CG1 4.18Å; V553-Q555 PolarHBondContact O-N 3.41Å; V553-L556 WeakPolarHBondContact O-CB 3.15Å; V553-L556 PolarHBondContact O-N 3.03Å; V553-L556 VanDerWaalsContact O-N 3.11Å; V553-A557 PolarHBondContact O-N 3.49Å |
| 554 | W | 94.6 | Very high | 92.8 | Very high | 10 Ų | 10 | 33 Ų | 33 | 4% | 0.038 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.1 | -36.5 | 177 | -66.4 | 114.4 | 0 | 0 | 0 | 112.3 | V398 L402 F494 Y497 L498 F501 I551 G552 L556 A557 F558 | V398-W554 HydrophobicContact CG1-CD2 4.23Å; V398-W554 HydrophobicContact CG1-CH2 4.22Å; V398-W554 HydrophobicContact CG1-CZ2 3.79Å; L402-W554 HydrophobicContact CD1-CE3 3.79Å; L402-W554 HydrophobicContact CD1-CH2 4.11Å; L402-W554 HydrophobicContact CD1-CZ3 3.4Å; L402-W554 HydrophobicContact CG-CZ3 4.38Å; F494-W554 HydrophobicContact CD2-CH2 4.25Å; F494-W554 AromaticContact CD2-CZ2 3.55Å; F494-W554 HydrophobicContact CD2-CZ2 3.55Å; F494-W554 AromaticContact CE2-CH2 3.85Å; F494-W554 HydrophobicContact CE2-CH2 3.85Å; F494-W554 AromaticContact CE2-CZ2 3.59Å; F494-W554 HydrophobicContact CE2-CZ2 3.59Å; F494-W554 HydrophobicContact CG-CZ2 4.4Å; F494-W554 HydrophobicContact CZ-CH2 4.42Å; F494-W554 HydrophobicContact CZ-CZ2 4.49Å; F494-W554 WeakPolarHBondContact O-CZ2 3.49Å; Y497-W554 HydrophobicContact CD1-CG 4.35Å; Y497-W554 AromaticContact CD2-CD1 3.61Å; Y497-W554 HydrophobicContact CD2-CG 4.36Å; Y497-W554 AromaticContact CD2-NE1 3.57Å; Y497-W554 AromaticContact CG-CD1 3.68Å; Y497-W554 HydrophobicContact CG-CD2 4.18Å; Y497-W554 AromaticContact CG-CG 4Å; Y497-W554 HydrophobicContact CG-CG 4Å; Y497-W554 AromaticContact CG-NE1 3.72Å; L498-W554 VanDerWaalsContact CA-CH2 3.44Å; L498-W554 HydrophobicContact CB-CH2 3.69Å; L498-W554 HydrophobicContact CB-CZ2 4.44Å; L498-W554 HydrophobicContact CB-CZ3 4.42Å; L498-W554 HydrophobicContact CD1-CH2 4.08Å; L498-W554 HydrophobicContact CD1-CZ3 4.41Å; F501-W554 HydrophobicContact CB-CE3 4.2Å; F501-W554 HydrophobicContact CB-CZ3 3.82Å; F501-W554 HydrophobicContact CG-CZ3 4.12Å; I551-W554 HydrophobicContact CB-CB 4.34Å; I551-W554 HydrophobicContact CD1-CB 3.91Å; I551-W554 HydrophobicContact CG1-CB 4.11Å; I551-W554 WeakPolarHBondContact O-CB 3.2Å; I551-W554 VanDerWaalsContact O-CD1 3.25Å; G552-W554 PolarHBondContact O-N 2.95Å; W554-L556 PolarHBondContact O-N 3.1Å; W554-A557 WeakPolarHBondContact O-CB 3.26Å; W554-A557 PolarHBondContact O-N 3.25Å; W554-A557 VanDerWaalsContact O-N 3.09Å; W554-F558 HydrophobicContact CB-CD2 4.36Å; W554-F558 HydrophobicContact CB-CE2 4.29Å; W554-F558 WeakPolarHBondContact O-CD2 3.21Å; W554-F558 PolarHBondContact O-N 2.81Å |
| 555 | Q | 94.6 | Very high | 92.8 | Very high | 24 Ų | 24 | 32 Ų | 32 | 11% | 0.112 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.4 | -50.7 | 175.5 | -177.4 | 64.6 | 33.3 | 0 | 0 | 111.5 | L255 K259 I551 G552 V553 A557 F558 E559 | L255-Q555 PolarHBondContact O-NE2 2.76Å; K259-Q555 HydrophobicContact CD-CG 4.17Å; K259-Q555 HydrophobicContact CG-CG 4.18Å; I551-Q555 HydrophobicContact CD1-CB 4.19Å; I551-Q555 HydrophobicContact CG1-CB 4.01Å; G552-Q555 PolarHBondContact O-N 3.47Å; V553-Q555 PolarHBondContact O-N 3.41Å; Q555-A557 VanDerWaalsContact C-N 3.26Å; Q555-A557 PolarHBondContact O-N 3.42Å; Q555-F558 PolarHBondContact O-N 2.93Å; Q555-E559 PolarHBondContact NE2-OE1 2.92Å; Q555-E559 WeakPolarHBondContact O-CB 3.42Å; Q555-E559 WeakPolarHBondContact O-CG 3.42Å; Q555-E559 PolarHBondContact O-N 2.93Å |
| 556 | L | 93.6 | Very high | 92.9 | Very high | 103 Ų | 103 | 31.8 Ų | 31.8 | 54% | 0.539 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62 | -37.7 | 177.8 | 177 | 63.5 | 0 | 0 | 0 | 111.2 | V553 W554 T560 | V553-L556 WeakPolarHBondContact O-CB 3.15Å; V553-L556 PolarHBondContact O-N 3.03Å; V553-L556 VanDerWaalsContact O-N 3.11Å; W554-L556 PolarHBondContact O-N 3.1Å; L556-T560 VanDerWaalsContact O-CB 3.31Å; L556-T560 WeakPolarHBondContact O-CB 3.45Å; L556-T560 PolarHBondContact O-N 2.93Å; L556-T560 PolarHBondContact O-OG1 3.38Å |
| 557 | A | 95.6 | Very high | 93.4 | Very high | 9 Ų | 9 | 31.3 Ų | 31.3 | 7% | 0.074 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.6 | -50.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | L402 F501 V553 W554 Q555 E559 T560 M561 | L402-A557 HydrophobicContact CD1-CB 3.36Å; L402-A557 HydrophobicContact CD2-CB 4.36Å; F501-A557 HydrophobicContact CD2-CB 4.08Å; F501-A557 HydrophobicContact CE2-CB 3.75Å; F501-A557 WeakPolarHBondContact CE2-O 3.46Å; F501-A557 HydrophobicContact CZ-CB 4.39Å; V553-A557 PolarHBondContact O-N 3.49Å; W554-A557 WeakPolarHBondContact O-CB 3.26Å; W554-A557 PolarHBondContact O-N 3.25Å; W554-A557 VanDerWaalsContact O-N 3.09Å; Q555-A557 VanDerWaalsContact C-N 3.26Å; Q555-A557 PolarHBondContact O-N 3.42Å; A557-E559 VanDerWaalsContact C-N 3.33Å; A557-E559 PolarHBondContact O-N 2.76Å; A557-T560 PolarHBondContact O-N 2.85Å; A557-M561 WeakPolarHBondContact O-CB 3.17Å; A557-M561 PolarHBondContact O-N 3.36Å |
| 558 | F | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.1 | -41.4 | 176.5 | -79.1 | -76.9 | 0 | 0 | 0 | 112 | F211 L255 L500 F501 F504 I551 W554 Q555 M561 S562 | F211-F558 HydrophobicContact CE1-CD2 4.43Å; F211-F558 HydrophobicContact CE1-CE1 4.36Å; F211-F558 AromaticContact CE1-CE2 3.57Å; F211-F558 HydrophobicContact CE1-CE2 3.57Å; F211-F558 AromaticContact CE1-CZ 3.55Å; F211-F558 HydrophobicContact CE1-CZ 3.55Å; F211-F558 AromaticContact CZ-CD2 3.96Å; F211-F558 HydrophobicContact CZ-CD2 3.96Å; F211-F558 HydrophobicContact CZ-CE1 4.12Å; F211-F558 AromaticContact CZ-CE2 3.54Å; F211-F558 HydrophobicContact CZ-CE2 3.54Å; F211-F558 HydrophobicContact CZ-CG 4.48Å; F211-F558 AromaticContact CZ-CZ 3.65Å; F211-F558 HydrophobicContact CZ-CZ 3.65Å; L255-F558 HydrophobicContact CD1-CB 4.1Å; L255-F558 WeakPolarHBondContact CD1-O 3.26Å; L255-F558 HydrophobicContact CD2-CB 3.6Å; L255-F558 HydrophobicContact CD2-CG 4.22Å; L500-F558 HydrophobicContact CB-CZ 4.22Å; F501-F558 HydrophobicContact CB-CE1 4.23Å; F501-F558 HydrophobicContact CB-CE2 4.45Å; F501-F558 HydrophobicContact CB-CZ 3.91Å; F501-F558 HydrophobicContact CD2-CD1 4.29Å; F501-F558 HydrophobicContact CD2-CE1 4.33Å; F501-F558 HydrophobicContact CD2-CG 4.43Å; F501-F558 HydrophobicContact CD2-CZ 4.49Å; F504-F558 HydrophobicContact CB-CD1 3.98Å; F504-F558 HydrophobicContact CB-CE1 3.65Å; F504-F558 AromaticContact CD1-CD1 3.48Å; F504-F558 HydrophobicContact CD1-CD1 3.48Å; F504-F558 VanDerWaalsContact CD1-CD1 3.48Å; F504-F558 HydrophobicContact CD1-CE1 4.08Å; F504-F558 HydrophobicContact CE1-CD1 4.1Å; F504-F558 AromaticContact CG-CD1 3.8Å; F504-F558 HydrophobicContact CG-CD1 3.8Å; F504-F558 AromaticContact CG-CE1 3.99Å; F504-F558 HydrophobicContact CG-CE1 3.99Å; I551-F558 HydrophobicContact CD1-CD2 4.4Å; W554-F558 HydrophobicContact CB-CD2 4.36Å; W554-F558 HydrophobicContact CB-CE2 4.29Å; W554-F558 WeakPolarHBondContact O-CD2 3.21Å; W554-F558 PolarHBondContact O-N 2.81Å; Q555-F558 PolarHBondContact O-N 2.93Å; F558-M561 PolarHBondContact O-N 3.32Å; F558-S562 WeakPolarHBondContact O-CB 3.2Å; F558-S562 PolarHBondContact O-N 2.84Å |
| 559 | E | 95.4 | Very high | 93.8 | Very high | 49 Ų | 49 | 28.8 Ų | 28.8 | 23% | 0.229 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 175.1 | -74.3 | 172 | -178.1 | 0 | 0 | 111.7 | L255 K259 Q555 A557 S562 V563 | L255-E559 HydrophobicContact CD1-CG 4.14Å; K259-E559 IonicContact NZ-OE1 2.7Å; Q555-E559 PolarHBondContact NE2-OE1 2.92Å; Q555-E559 WeakPolarHBondContact O-CB 3.42Å; Q555-E559 WeakPolarHBondContact O-CG 3.42Å; Q555-E559 PolarHBondContact O-N 2.93Å; A557-E559 VanDerWaalsContact C-N 3.33Å; A557-E559 PolarHBondContact O-N 2.76Å; E559-S562 WeakPolarHBondContact O-CB 3.48Å; E559-S562 PolarHBondContact O-N 2.88Å; E559-V563 WeakPolarHBondContact O-CG2 3.23Å; E559-V563 PolarHBondContact O-N 3.35Å |
| 560 | T | 95.3 | Very high | 93.9 | Very high | 67 Ų | 67 | 28.3 Ų | 28.3 | 41% | 0.411 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -63.1 | -45.1 | 176.9 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | L556 A557 S562 V563 I564 | L556-T560 VanDerWaalsContact O-CB 3.31Å; L556-T560 WeakPolarHBondContact O-CB 3.45Å; L556-T560 PolarHBondContact O-N 2.93Å; L556-T560 PolarHBondContact O-OG1 3.38Å; A557-T560 PolarHBondContact O-N 2.85Å; T560-S562 VanDerWaalsContact C-N 3.27Å; T560-S562 PolarHBondContact O-N 2.93Å; T560-V563 WeakPolarHBondContact O-CB 3.4Å; T560-V563 PolarHBondContact O-N 2.7Å; T560-V563 VanDerWaalsContact O-N 3.11Å; T560-I564 HydrophobicContact CG2-CD1 4.08Å; T560-I564 WeakPolarHBondContact O-CG1 3.33Å; T560-I564 PolarHBondContact O-N 2.83Å |
| 561 | M | 95.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.6 | -43.9 | 173.6 | 179.2 | 69.2 | 78.4 | 0 | 0 | 111 | F406 F410 F501 F504 G505 L509 A557 F558 V563 I564 A565 | F406-M561 HydrophobicContact CD2-CE 3.45Å; F406-M561 VanDerWaalsContact CD2-CE 3.45Å; F406-M561 HydrophobicContact CD2-SD 4.37Å; F406-M561 HydrophobicContact CE2-CE 3.35Å; F406-M561 HydrophobicContact CE2-SD 3.66Å; F410-M561 HydrophobicContact CE2-CE 3.88Å; F410-M561 HydrophobicContact CZ-CE 4.33Å; F501-M561 HydrophobicContact CD1-CE 4.43Å; F501-M561 HydrophobicContact CD2-CE 4.5Å; F501-M561 HydrophobicContact CE1-CE 3.72Å; F501-M561 HydrophobicContact CE2-CB 3.87Å; F501-M561 HydrophobicContact CE2-CE 3.79Å; F501-M561 HydrophobicContact CZ-CB 4.37Å; F501-M561 HydrophobicContact CZ-CE 3.37Å; F504-M561 HydrophobicContact CD1-CB 4.12Å; F504-M561 HydrophobicContact CD1-CG 3.67Å; F504-M561 HydrophobicContact CE1-CB 4.08Å; F504-M561 HydrophobicContact CE1-CG 3.85Å; G505-M561 VanDerWaalsContact CA-SD 3.59Å; L509-M561 HydrophobicContact CD1-SD 3.68Å; L509-M561 HydrophobicContact CD2-SD 3.9Å; L509-M561 HydrophobicContact CG-SD 3.72Å; A557-M561 WeakPolarHBondContact O-CB 3.17Å; A557-M561 PolarHBondContact O-N 3.36Å; F558-M561 PolarHBondContact O-N 3.32Å; M561-V563 VanDerWaalsContact C-N 3.32Å; M561-V563 PolarHBondContact O-N 3.13Å; M561-I564 PolarHBondContact O-N 2.95Å; M561-A565 WeakPolarHBondContact O-CB 3.39Å; M561-A565 PolarHBondContact O-N 3.13Å |
| 562 | S | 95.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66 | -31.8 | 177.7 | -177.7 | 0 | 0 | 0 | 0 | 113 | F558 E559 T560 V566 K605 | F558-S562 WeakPolarHBondContact O-CB 3.2Å; F558-S562 PolarHBondContact O-N 2.84Å; E559-S562 WeakPolarHBondContact O-CB 3.48Å; E559-S562 PolarHBondContact O-N 2.88Å; T560-S562 VanDerWaalsContact C-N 3.27Å; T560-S562 PolarHBondContact O-N 2.93Å; S562-V566 WeakPolarHBondContact O-CG2 3.3Å; S562-V566 PolarHBondContact O-N 3.47Å; S562-K605 PolarHBondContact OG-NZ 3.28Å |
| 563 | V | 95.6 | Very high | 93.5 | Very high | 42 Ų | 42 | 25.9 Ų | 25.9 | 26% | 0.255 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -68.6 | -46.4 | 171.7 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | E559 T560 M561 A565 V566 L602 K605 F606 | E559-V563 WeakPolarHBondContact O-CG2 3.23Å; E559-V563 PolarHBondContact O-N 3.35Å; T560-V563 WeakPolarHBondContact O-CB 3.4Å; T560-V563 PolarHBondContact O-N 2.7Å; T560-V563 VanDerWaalsContact O-N 3.11Å; M561-V563 VanDerWaalsContact C-N 3.32Å; M561-V563 PolarHBondContact O-N 3.13Å; V563-A565 PolarHBondContact O-N 2.68Å; V563-V566 WeakPolarHBondContact O-CB 3.42Å; V563-V566 PolarHBondContact O-N 3.26Å; V563-V566 VanDerWaalsContact O-N 3.13Å; V563-L602 HydrophobicContact CG1-CD2 4.04Å; V563-K605 HydrophobicContact CG2-CD 4.26Å; V563-F606 HydrophobicContact CG2-CZ 4.48Å |
| 564 | I | 95.4 | Very high | 93.4 | Very high | 56 Ų | 56 | 25 Ų | 25 | 29% | 0.287 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -59.7 | -39.2 | 176.4 | -62.8 | 167.4 | 0 | 0 | 0 | 110.2 | F406 F414 L509 T560 M561 V566 V567 T568 | F406-I564 HydrophobicContact CZ-CD1 4.12Å; F414-I564 HydrophobicContact CZ-CG2 4.31Å; L509-I564 HydrophobicContact CD2-CB 4.2Å; L509-I564 HydrophobicContact CD2-CG2 3.66Å; T560-I564 HydrophobicContact CG2-CD1 4.08Å; T560-I564 WeakPolarHBondContact O-CG1 3.33Å; T560-I564 PolarHBondContact O-N 2.83Å; M561-I564 PolarHBondContact O-N 2.95Å; I564-V566 VanDerWaalsContact C-N 3.29Å; I564-V566 PolarHBondContact O-N 3.48Å; I564-V567 PolarHBondContact O-N 2.94Å; I564-V567 VanDerWaalsContact O-N 3.16Å; I564-T568 PolarHBondContact O-N 3.42Å; I564-T568 PolarHBondContact O-OG1 2.67Å |
| 565 | A | 94.4 | Very high | 92.9 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 3% | 0.033 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.3 | -35.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S508 L509 M561 V563 T568 N569 | S508-A565 WeakPolarHBondContact O-CB 3.31Å; L509-A565 HydrophobicContact CD2-CB 4.16Å; M561-A565 WeakPolarHBondContact O-CB 3.39Å; M561-A565 PolarHBondContact O-N 3.13Å; V563-A565 PolarHBondContact O-N 2.68Å; A565-T568 PolarHBondContact O-N 3.48Å; A565-N569 WeakPolarHBondContact O-CB 3.16Å; A565-N569 PolarHBondContact O-N 2.91Å; A565-N569 PolarHBondContact O-ND2 3.31Å |
| 566 | V | 94 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.7 | -49.5 | 175.1 | 177.2 | 0 | 0 | 0 | 0 | 110 | V248 S562 V563 I564 C570 L601 L602 K605 | V248-V566 HydrophobicContact CB-CG2 4.34Å; V248-V566 HydrophobicContact CG1-CG2 3.64Å; V248-V566 HydrophobicContact CG2-CB 4.44Å; V248-V566 HydrophobicContact CG2-CG2 3.78Å; S562-V566 WeakPolarHBondContact O-CG2 3.3Å; S562-V566 PolarHBondContact O-N 3.47Å; V563-V566 WeakPolarHBondContact O-CB 3.42Å; V563-V566 PolarHBondContact O-N 3.26Å; V563-V566 VanDerWaalsContact O-N 3.13Å; I564-V566 VanDerWaalsContact C-N 3.29Å; I564-V566 PolarHBondContact O-N 3.48Å; V566-C570 WeakPolarHBondContact O-CB 3.34Å; V566-C570 PolarHBondContact O-N 3.26Å; V566-C570 PolarHBondContact O-SG 3.41Å; V566-L601 HydrophobicContact CG1-CB 3.9Å; V566-L602 HydrophobicContact CB-CD2 3.87Å; V566-L602 HydrophobicContact CG1-CD2 3.85Å; V566-L602 HydrophobicContact CG1-CG 4.07Å; V566-L602 HydrophobicContact CG2-CD2 4.07Å; V566-K605 HydrophobicContact CG2-CD 4.23Å |
| 567 | V | 94.1 | Very high | 91.9 | Very high | 69 Ų | 69 | 26.3 Ų | 26.3 | 42% | 0.418 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.9 | -47.2 | 179.5 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | I564 C570 A571 E598 | I564-V567 PolarHBondContact O-N 2.94Å; I564-V567 VanDerWaalsContact O-N 3.16Å; V567-C570 PolarHBondContact O-N 2.85Å; V567-A571 WeakPolarHBondContact O-CB 3.36Å; V567-A571 PolarHBondContact O-N 3.02Å; V567-E598 HydrophobicContact CG2-CG 4.44Å |
| 568 | T | 93.7 | Very high | 91.3 | Very high | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.2 | -49.9 | -179.4 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | F414 F418 L509 F510 I564 A565 C570 A571 L572 | F414-T568 HydrophobicContact CE1-CG2 3.93Å; F418-T568 HydrophobicContact CE2-CG2 4.3Å; F418-T568 HydrophobicContact CZ-CG2 3.9Å; L509-T568 HydrophobicContact CB-CG2 4.36Å; L509-T568 WeakPolarHBondContact O-CG2 3.45Å; F510-T568 HydrophobicContact CE1-CG2 4.26Å; I564-T568 PolarHBondContact O-N 3.42Å; I564-T568 PolarHBondContact O-OG1 2.67Å; A565-T568 PolarHBondContact O-N 3.48Å; T568-C570 PolarHBondContact O-N 3.03Å; T568-A571 PolarHBondContact O-N 3.47Å; T568-L572 HydrophobicContact CG2-CD1 3.96Å; T568-L572 HydrophobicContact CG2-CG 4.46Å; T568-L572 WeakPolarHBondContact O-CB 3.12Å; T568-L572 VanDerWaalsContact O-CG 3.26Å; T568-L572 WeakPolarHBondContact O-CG 3.45Å; T568-L572 PolarHBondContact O-N 3.34Å |
| 569 | N | 91.3 | Very high | 90.7 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.5 | -38.8 | -179.4 | -72.1 | -78.3 | 0 | 0 | 0 | 111.6 | A244 S508 S511 C512 A565 L572 I573 | A244-N569 HydrophobicContact CB-CB 4.44Å; S508-N569 PolarHBondContact O-ND2 3.45Å; S511-N569 PolarHBondContact OG-OD1 3.27Å; C512-N569 PolarHBondContact SG-OD1 3.05Å; A565-N569 WeakPolarHBondContact O-CB 3.16Å; A565-N569 PolarHBondContact O-N 2.91Å; A565-N569 PolarHBondContact O-ND2 3.31Å; N569-L572 PolarHBondContact O-N 3.5Å; N569-I573 WeakPolarHBondContact O-CB 3.18Å; N569-I573 VanDerWaalsContact O-CG1 3.29Å; N569-I573 WeakPolarHBondContact O-CG1 3.13Å; N569-I573 PolarHBondContact O-N 3.4Å |
| 570 | C | 91.3 | Very high | 90.2 | Very high | 12 Ų | 12 | 31 Ų | 31 | 8% | 0.081 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.6 | -42.7 | 176 | -67.5 | 0 | 0 | 0 | 0 | 111.9 | V566 V567 T568 I573 G574 T594 E598 | V566-C570 WeakPolarHBondContact O-CB 3.34Å; V566-C570 PolarHBondContact O-N 3.26Å; V566-C570 PolarHBondContact O-SG 3.41Å; V567-C570 PolarHBondContact O-N 2.85Å; T568-C570 PolarHBondContact O-N 3.03Å; C570-I573 PolarHBondContact O-N 3.47Å; C570-G574 PolarHBondContact O-N 3.26Å; C570-T594 HydrophobicContact CB-CG2 4.36Å; C570-T594 WeakPolarHBondContact O-CG2 3.29Å; C570-E598 HydrophobicContact CB-CB 3.94Å; C570-E598 HydrophobicContact CB-CG 4.26Å |
| 571 | A | 91.1 | Very high | 89.8 | Confident | 30 Ų | 30 | 31.3 Ų | 31.3 | 25% | 0.248 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.1 | -45.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F418 V567 T568 I573 G574 M575 | F418-A571 HydrophobicContact CD1-CB 4.43Å; F418-A571 HydrophobicContact CE1-CB 3.52Å; F418-A571 HydrophobicContact CZ-CB 3.94Å; V567-A571 WeakPolarHBondContact O-CB 3.36Å; V567-A571 PolarHBondContact O-N 3.02Å; T568-A571 PolarHBondContact O-N 3.47Å; A571-I573 PolarHBondContact O-N 3.23Å; A571-G574 PolarHBondContact O-N 2.85Å; A571-M575 WeakPolarHBondContact O-CB 3.3Å; A571-M575 VanDerWaalsContact O-CG 3.24Å; A571-M575 WeakPolarHBondContact O-CG 3.42Å; A571-M575 PolarHBondContact O-N 2.98Å |
| 572 | L | 89 | Confident | 89.3 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.7 | -44.4 | 176.7 | -72.9 | 170.8 | 0 | 0 | 0 | 112.1 | A417 F418 M423 L426 F510 V513 T568 N569 M575 S576 | A417-L572 HydrophobicContact CB-CD2 4.06Å; F418-L572 HydrophobicContact CE1-CD2 4.17Å; F418-L572 HydrophobicContact CE1-CG 4.23Å; F418-L572 HydrophobicContact CZ-CG 4.4Å; M423-L572 HydrophobicContact CE-CD2 3.87Å; M423-L572 HydrophobicContact SD-CD2 4.05Å; L426-L572 HydrophobicContact CD2-CD2 4.3Å; F510-L572 HydrophobicContact CD1-CD1 4.25Å; V513-L572 HydrophobicContact CG2-CD1 3.98Å; V513-L572 HydrophobicContact CG2-CD2 4.32Å; T568-L572 HydrophobicContact CG2-CD1 3.96Å; T568-L572 HydrophobicContact CG2-CG 4.46Å; T568-L572 WeakPolarHBondContact O-CB 3.12Å; T568-L572 VanDerWaalsContact O-CG 3.26Å; T568-L572 WeakPolarHBondContact O-CG 3.45Å; T568-L572 PolarHBondContact O-N 3.34Å; N569-L572 PolarHBondContact O-N 3.5Å; L572-M575 PolarHBondContact O-N 3.02Å; L572-S576 PolarHBondContact O-N 2.85Å |
| 573 | I | 87.1 | Confident | 88.9 | Confident | 25 Ų | 25 | 41 Ų | 41 | 13% | 0.128 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.5 | -47.5 | 176.1 | -70.8 | 165 | 0 | 0 | 0 | 110.7 | Y237 V241 A244 N569 C570 A571 M575 S576 V579 | Y237-I573 HydrophobicContact CD2-CG2 4.45Å; Y237-I573 HydrophobicContact CE2-CG2 3.8Å; V241-I573 HydrophobicContact CG2-CG2 4.2Å; A244-I573 HydrophobicContact CB-CD1 3.5Å; A244-I573 VanDerWaalsContact CB-CD1 3.5Å; N569-I573 WeakPolarHBondContact O-CB 3.18Å; N569-I573 VanDerWaalsContact O-CG1 3.29Å; N569-I573 WeakPolarHBondContact O-CG1 3.13Å; N569-I573 PolarHBondContact O-N 3.4Å; C570-I573 PolarHBondContact O-N 3.47Å; A571-I573 PolarHBondContact O-N 3.23Å; I573-M575 PolarHBondContact O-N 3.01Å; I573-S576 WeakPolarHBondContact O-CB 3.28Å; I573-S576 PolarHBondContact O-N 2.79Å; I573-S576 VanDerWaalsContact O-N 3.09Å; I573-S576 PolarHBondContact O-OG 2.86Å; I573-V579 HydrophobicContact CG2-CG2 4.01Å; I573-V579 VanDerWaalsContact O-CG2 3.29Å; I573-V579 WeakPolarHBondContact O-CG2 3.29Å |
| 574 | G | 87.5 | Confident | 88.4 | Confident | 8 Ų | 8 | 44.1 Ų | 44.1 | 8% | 0.082 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.9 | -26.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | C570 A571 | C570-G574 PolarHBondContact O-N 3.26Å; A571-G574 PolarHBondContact O-N 2.85Å |
| 575 | M | 85.7 | Confident | 87.8 | Confident | 39 Ų | 39 | 50.7 Ų | 50.7 | 19% | 0.192 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -85.4 | -12.5 | 178.1 | -69 | 176 | 68.8 | 0 | 0 | 113.9 | F418 Q421 A571 L572 I573 K580 | F418-M575 HydrophobicContact CD1-SD 3.68Å; F418-M575 HydrophobicContact CE1-SD 4.2Å; Q421-M575 HydrophobicContact CB-CE 4.23Å; Q421-M575 HydrophobicContact CG-CE 3.45Å; Q421-M575 VanDerWaalsContact CG-CE 3.45Å; A571-M575 WeakPolarHBondContact O-CB 3.3Å; A571-M575 VanDerWaalsContact O-CG 3.24Å; A571-M575 WeakPolarHBondContact O-CG 3.42Å; A571-M575 PolarHBondContact O-N 2.98Å; L572-M575 PolarHBondContact O-N 3.02Å; I573-M575 PolarHBondContact O-N 3.01Å; M575-K580 VanDerWaalsContact O-CE 3.29Å; M575-K580 WeakPolarHBondContact O-CE 3.32Å; M575-K580 PolarHBondContact O-NZ 3.49Å |
| 576 | S | 83.9 | Confident | 87.6 | Confident | 19 Ų | 19 | 52.1 Ų | 52.1 | 13% | 0.133 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -63.2 | 143.4 | -178.7 | 71.4 | 0 | 0 | 0 | 0 | 112.1 | L572 I573 Q578 V579 K580 | L572-S576 PolarHBondContact O-N 2.85Å; I573-S576 WeakPolarHBondContact O-CB 3.28Å; I573-S576 PolarHBondContact O-N 2.79Å; I573-S576 VanDerWaalsContact O-N 3.09Å; I573-S576 PolarHBondContact O-OG 2.86Å; S576-Q578 PolarHBondContact O-N 3.28Å; S576-V579 PolarHBondContact O-N 2.92Å; S576-V579 VanDerWaalsContact OG-CG2 3.22Å; S576-V579 WeakPolarHBondContact OG-CG2 3.1Å; S576-V579 PolarHBondContact OG-N 3.47Å; S576-K580 PolarHBondContact O-N 2.97Å; S576-K580 VanDerWaalsContact O-N 3.14Å |
| 577 | P | 83.3 | Confident | 87.3 | Confident | 106 Ų | 106 | 59.6 Ų | 59.6 | 69% | 0.688 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -57.8 | -33.4 | 179.4 | -25.5 | 34.2 | 0 | 0 | 0 | 113.4 | K580 A581 | P577-K580 PolarHBondContact O-N 2.84Å; P577-A581 PolarHBondContact O-N 2.92Å |
| 578 | Q | 82.4 | Confident | 87.1 | Confident | 66 Ų | 66 | 60.7 Ų | 60.7 | 31% | 0.308 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | -178.9 | -61.7 | 158.2 | -5.5 | 0 | 0 | 111.7 | E235 S576 A581 Y582 | E235-Q578 VanDerWaalsContact O-CD 3.29Å; E235-Q578 PolarHBondContact O-NE2 3.44Å; E235-Q578 PolarHBondContact O-OE1 3.49Å; E235-Q578 VanDerWaalsContact O-OE1 3.06Å; S576-Q578 PolarHBondContact O-N 3.28Å; Q578-A581 WeakPolarHBondContact O-CB 3.35Å; Q578-A581 PolarHBondContact O-N 2.78Å; Q578-Y582 WeakPolarHBondContact O-CD2 3.49Å |
| 579 | V | 83.5 | Confident | 87 | Confident | 6 Ų | 6 | 65.4 Ų | 65.4 | 4% | 0.036 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -72.7 | -40.9 | 177.5 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | Y237 I573 S576 A581 Y582 L590 | Y237-V579 HydrophobicContact CD2-CG2 3.18Å; Y237-V579 HydrophobicContact CE2-CB 4.4Å; Y237-V579 HydrophobicContact CE2-CG2 3.04Å; Y237-V579 HydrophobicContact CG-CG2 4.19Å; I573-V579 HydrophobicContact CG2-CG2 4.01Å; I573-V579 VanDerWaalsContact O-CG2 3.29Å; I573-V579 WeakPolarHBondContact O-CG2 3.29Å; S576-V579 PolarHBondContact O-N 2.92Å; S576-V579 VanDerWaalsContact OG-CG2 3.22Å; S576-V579 WeakPolarHBondContact OG-CG2 3.1Å; S576-V579 PolarHBondContact OG-N 3.47Å; V579-A581 PolarHBondContact O-N 2.69Å; V579-Y582 WeakPolarHBondContact O-CB 3.27Å; V579-Y582 PolarHBondContact O-N 3.38Å; V579-L590 HydrophobicContact CG1-CD1 3.44Å; V579-L590 VanDerWaalsContact CG1-CD1 3.44Å |
| 580 | K | 85.1 | Confident | 86.9 | Confident | 85 Ų | 85 | 66 Ų | 66 | 37% | 0.37 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.4 | -34.7 | 174.1 | -71.9 | 178.2 | 177.6 | 173.3 | 0 | 111.7 | M575 S576 P577 Y582 F583 L590 | M575-K580 VanDerWaalsContact O-CE 3.29Å; M575-K580 WeakPolarHBondContact O-CE 3.32Å; M575-K580 PolarHBondContact O-NZ 3.49Å; S576-K580 PolarHBondContact O-N 2.97Å; S576-K580 VanDerWaalsContact O-N 3.14Å; P577-K580 PolarHBondContact O-N 2.84Å; K580-Y582 VanDerWaalsContact C-N 3.27Å; K580-Y582 PolarHBondContact O-N 2.81Å; K580-F583 CarbonylContact O-C 3.36Å; K580-F583 PolarHBondContact O-N 3.07Å; K580-F583 VanDerWaalsContact O-N 3.13Å; K580-L590 HydrophobicContact CG-CD2 3.84Å |
| 581 | A | 86.3 | Confident | 86.9 | Confident | 73 Ų | 73 | 70.4 Ų | 70.4 | 60% | 0.603 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.8 | -25.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | P577 Q578 V579 F583 | P577-A581 PolarHBondContact O-N 2.92Å; Q578-A581 WeakPolarHBondContact O-CB 3.35Å; Q578-A581 PolarHBondContact O-N 2.78Å; V579-A581 PolarHBondContact O-N 2.69Å; A581-F583 VanDerWaalsContact C-N 3.33Å |
| 582 | Y | 85.3 | Confident | 87 | Confident | 150 Ų | 150 | 74.8 Ų | 74.8 | 59% | 0.588 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -75.4 | -21.1 | 174.2 | -75 | -80.6 | 0 | 0 | 0 | 113.3 | Y237 Q578 V579 K580 P584 | Y237-Y582 AromaticContact CD1-CE2 3.95Å; Y237-Y582 HydrophobicContact CD1-CE2 3.95Å; Y237-Y582 HydrophobicContact CE1-CE2 4.42Å; Y237-Y582 HydrophobicContact CG-CE2 4.36Å; Q578-Y582 WeakPolarHBondContact O-CD2 3.49Å; V579-Y582 WeakPolarHBondContact O-CB 3.27Å; V579-Y582 PolarHBondContact O-N 3.38Å; K580-Y582 VanDerWaalsContact C-N 3.27Å; K580-Y582 PolarHBondContact O-N 2.81Å; Y582-P584 WeakPolarHBondContact O-CD 3.47Å |
| 583 | F | 87.9 | Confident | 87.1 | Confident | 57 Ų | 57 | 81.6 Ų | 81.6 | 25% | 0.25 | 42% | 0.42 | C | S | . | . | trans | -125.2 | 60.5 | -178.9 | -62.2 | -85.4 | 0 | 0 | 0 | 111.8 | K580 A581 E585 Q589 L590 W593 | K580-F583 CarbonylContact O-C 3.36Å; K580-F583 PolarHBondContact O-N 3.07Å; K580-F583 VanDerWaalsContact O-N 3.13Å; A581-F583 VanDerWaalsContact C-N 3.33Å; F583-E585 VanDerWaalsContact C-N 3.27Å; F583-E585 PolarHBondContact O-N 3.1Å; F583-Q589 HydrophobicContact CD1-CB 4.17Å; F583-L590 HydrophobicContact CB-CB 4.08Å; F583-L590 HydrophobicContact CD2-CB 4.27Å; F583-L590 HydrophobicContact CD2-CD1 3.92Å; F583-L590 HydrophobicContact CE2-CD1 4.36Å; F583-L590 HydrophobicContact CG-CB 4.2Å; F583-W593 AromaticContact CE1-CD1 3.54Å; F583-W593 HydrophobicContact CE1-CG 4.46Å; F583-W593 AromaticContact CE1-NE1 3.97Å; F583-W593 HydrophobicContact CZ-CB 4.42Å; F583-W593 AromaticContact CZ-CD1 3.57Å; F583-W593 HydrophobicContact CZ-CG 4.09Å | ||
| 584 | P | 83.1 | Confident | 87.3 | Confident | 107 Ų | 107 | 81.8 Ų | 81.8 | 70% | 0.695 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -24 | -172.2 | 27.9 | -34.5 | 0 | 0 | 0 | 113.7 | Y582 | Y582-P584 WeakPolarHBondContact O-CD 3.47Š|
| 585 | E | 84.8 | Confident | 87.6 | Confident | 194 Ų | 194 | 84.5 Ų | 84.5 | 91% | 0.907 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -20.1 | -172.8 | -62.2 | -169.7 | 172.6 | 0 | 0 | 114.3 | F583 | F583-E585 VanDerWaalsContact C-N 3.27Å; F583-E585 PolarHBondContact O-N 3.1Å |
| 586 | S | 89.9 | Confident | 88 | Confident | 34 Ų | 34 | 85.3 Ų | 85.3 | 24% | 0.238 | 45% | 0.45 | C | S | . | . | trans | -150.7 | 99.5 | -169.8 | -164.6 | 0 | 0 | 0 | 0 | 113.4 | T588 Q589 L590 | S586-T588 PolarHBondContact O-N 2.96Å; S586-T588 PolarHBondContact OG-OG1 2.98Å; S586-Q589 PolarHBondContact O-N 2.88Å; S586-Q589 VanDerWaalsContact O-N 3.14Å; S586-L590 PolarHBondContact O-N 2.93Å | ||
| 587 | E | 87.3 | Confident | 88.3 | Confident | 157 Ų | 157 | 88.6 Ų | 88.6 | 73% | 0.734 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.1 | -30.6 | 174.1 | -63.5 | -172.3 | 162.8 | 0 | 0 | 112.8 | Q589 L590 I591 | E587-Q589 VanDerWaalsContact C-N 3.31Å; E587-Q589 PolarHBondContact O-N 3.25Å; E587-L590 WeakPolarHBondContact O-CB 3.46Å; E587-L590 PolarHBondContact O-N 3.27Å; E587-I591 WeakPolarHBondContact O-CG1 3.4Å; E587-I591 PolarHBondContact O-N 3.48Å |
| 588 | T | 89.9 | Confident | 88.9 | Confident | 92 Ų | 92 | 84.7 Ų | 84.7 | 56% | 0.564 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.7 | -36.2 | 176.8 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | S586 L592 | S586-T588 PolarHBondContact O-N 2.96Å; S586-T588 PolarHBondContact OG-OG1 2.98Å; T588-L592 WeakPolarHBondContact O-CB 3.49Å; T588-L592 VanDerWaalsContact O-CG 3.25Å; T588-L592 WeakPolarHBondContact O-CG 3.32Å; T588-L592 PolarHBondContact O-N 3.45Å |
| 589 | Q | 90.6 | Very high | 89.5 | Confident | 104 Ų | 104 | 87 Ų | 87 | 49% | 0.486 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -70.4 | -40.2 | 177.2 | -71.6 | -177 | -4.6 | 0 | 0 | 110.8 | F583 S586 E587 L592 W593 | F583-Q589 HydrophobicContact CD1-CB 4.17Å; S586-Q589 PolarHBondContact O-N 2.88Å; S586-Q589 VanDerWaalsContact O-N 3.14Å; E587-Q589 VanDerWaalsContact C-N 3.31Å; E587-Q589 PolarHBondContact O-N 3.25Å; Q589-L592 PolarHBondContact O-N 2.7Å; Q589-W593 VanDerWaalsContact O-CD1 3.23Å; Q589-W593 PolarHBondContact O-N 3.06Å |
| 590 | L | 90.3 | Very high | 90 | Very high | 15 Ų | 15 | 88.7 Ų | 88.7 | 8% | 0.079 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -56.3 | -52.3 | 173.2 | 171 | 59.7 | 0 | 0 | 0 | 111 | V579 K580 F583 S586 E587 L592 W593 T594 | V579-L590 HydrophobicContact CG1-CD1 3.44Å; V579-L590 VanDerWaalsContact CG1-CD1 3.44Å; K580-L590 HydrophobicContact CG-CD2 3.84Å; F583-L590 HydrophobicContact CB-CB 4.08Å; F583-L590 HydrophobicContact CD2-CB 4.27Å; F583-L590 HydrophobicContact CD2-CD1 3.92Å; F583-L590 HydrophobicContact CE2-CD1 4.36Å; F583-L590 HydrophobicContact CG-CB 4.2Å; S586-L590 PolarHBondContact O-N 2.93Å; E587-L590 WeakPolarHBondContact O-CB 3.46Å; E587-L590 PolarHBondContact O-N 3.27Å; L590-L592 VanDerWaalsContact C-N 3.34Å; L590-L592 PolarHBondContact O-N 3.12Å; L590-W593 PolarHBondContact O-N 2.95Å; L590-T594 PolarHBondContact O-N 3.44Å; L590-T594 PolarHBondContact O-OG1 3.31Å; L590-T594 VanDerWaalsContact O-OG1 3.06Å |
| 591 | I | 91.5 | Very high | 90.3 | Very high | 104 Ų | 104 | 86 Ų | 86 | 53% | 0.533 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.7 | -45 | 179.6 | -65.8 | 166.6 | 0 | 0 | 0 | 110.9 | E587 W593 T594 V595 | E587-I591 WeakPolarHBondContact O-CG1 3.4Å; E587-I591 PolarHBondContact O-N 3.48Å; I591-W593 PolarHBondContact O-N 3.24Å; I591-T594 PolarHBondContact O-N 3.06Å; I591-V595 HydrophobicContact CG2-CG2 4.28Å; I591-V595 WeakPolarHBondContact O-CB 3.26Å; I591-V595 VanDerWaalsContact O-CG2 3.29Å; I591-V595 WeakPolarHBondContact O-CG2 3.34Å; I591-V595 PolarHBondContact O-N 3.06Å |
| 592 | L | 92.7 | Very high | 90.7 | Very high | 122 Ų | 122 | 83.9 Ų | 83.9 | 64% | 0.639 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.7 | -42 | 179 | -74 | 171.9 | 0 | 0 | 0 | 112.2 | T588 Q589 L590 A596 | T588-L592 WeakPolarHBondContact O-CB 3.49Å; T588-L592 VanDerWaalsContact O-CG 3.25Å; T588-L592 WeakPolarHBondContact O-CG 3.32Å; T588-L592 PolarHBondContact O-N 3.45Å; Q589-L592 PolarHBondContact O-N 2.7Å; L590-L592 VanDerWaalsContact C-N 3.34Å; L590-L592 PolarHBondContact O-N 3.12Å; L592-A596 VanDerWaalsContact O-CB 3.28Å; L592-A596 WeakPolarHBondContact O-CB 3.46Å; L592-A596 PolarHBondContact O-N 3.29Å |
| 593 | W | 90.9 | Very high | 91.2 | Very high | 151 Ų | 151 | 79 Ų | 79 | 57% | 0.572 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -67.3 | -42.7 | 175.8 | -83.7 | 114 | 0 | 0 | 0 | 112.4 | F583 Q589 L590 I591 V595 A596 I597 | F583-W593 AromaticContact CE1-CD1 3.54Å; F583-W593 HydrophobicContact CE1-CG 4.46Å; F583-W593 AromaticContact CE1-NE1 3.97Å; F583-W593 HydrophobicContact CZ-CB 4.42Å; F583-W593 AromaticContact CZ-CD1 3.57Å; F583-W593 HydrophobicContact CZ-CG 4.09Å; Q589-W593 VanDerWaalsContact O-CD1 3.23Å; Q589-W593 PolarHBondContact O-N 3.06Å; L590-W593 PolarHBondContact O-N 2.95Å; I591-W593 PolarHBondContact O-N 3.24Å; W593-V595 PolarHBondContact O-N 3.45Å; W593-A596 PolarHBondContact O-N 3.48Å; W593-I597 VanDerWaalsContact O-CG1 3.32Å; W593-I597 WeakPolarHBondContact O-CG1 3.29Å; W593-I597 PolarHBondContact O-N 3.4Å |
| 594 | T | 91.1 | Very high | 91.4 | Very high | 29 Ų | 29 | 81 Ų | 81 | 18% | 0.178 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -59.8 | -45.8 | 175.4 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | C570 L590 I591 I597 E598 | C570-T594 HydrophobicContact CB-CG2 4.36Å; C570-T594 WeakPolarHBondContact O-CG2 3.29Å; L590-T594 PolarHBondContact O-N 3.44Å; L590-T594 PolarHBondContact O-OG1 3.31Å; L590-T594 VanDerWaalsContact O-OG1 3.06Å; I591-T594 PolarHBondContact O-N 3.06Å; T594-I597 PolarHBondContact O-N 3.14Å; T594-E598 VanDerWaalsContact O-CB 3.29Å; T594-E598 WeakPolarHBondContact O-CB 3.33Å; T594-E598 PolarHBondContact O-N 3.35Å |
| 595 | V | 94.3 | Very high | 91.9 | Very high | 65 Ų | 65 | 76.3 Ų | 76.3 | 39% | 0.394 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 176.9 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | I591 W593 E598 H599 | I591-V595 HydrophobicContact CG2-CG2 4.28Å; I591-V595 WeakPolarHBondContact O-CB 3.26Å; I591-V595 VanDerWaalsContact O-CG2 3.29Å; I591-V595 WeakPolarHBondContact O-CG2 3.34Å; I591-V595 PolarHBondContact O-N 3.06Å; W593-V595 PolarHBondContact O-N 3.45Å; V595-E598 PolarHBondContact O-N 2.93Å; V595-H599 PolarHBondContact O-N 3.41Å; V595-H599 PolarHBondContact O-ND1 3.38Å |
| 596 | A | 94 | Very high | 92.3 | Very high | 56 Ų | 56 | 72.6 Ų | 72.6 | 46% | 0.463 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L592 W593 G600 | L592-A596 VanDerWaalsContact O-CB 3.28Å; L592-A596 WeakPolarHBondContact O-CB 3.46Å; L592-A596 PolarHBondContact O-N 3.29Å; W593-A596 PolarHBondContact O-N 3.48Å; A596-G600 PolarHBondContact O-N 3.39Å |
| 597 | I | 91.3 | Very high | 92.5 | Very high | 87 Ų | 87 | 75.3 Ų | 75.3 | 45% | 0.446 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 174.8 | -69.3 | 167.2 | 0 | 0 | 0 | 110.3 | W593 T594 G600 L601 | W593-I597 VanDerWaalsContact O-CG1 3.32Å; W593-I597 WeakPolarHBondContact O-CG1 3.29Å; W593-I597 PolarHBondContact O-N 3.4Å; T594-I597 PolarHBondContact O-N 3.14Å; I597-G600 PolarHBondContact O-N 3.42Å; I597-L601 HydrophobicContact CG2-CD1 4.08Å; I597-L601 HydrophobicContact CG2-CG 4.4Å; I597-L601 WeakPolarHBondContact O-CG 3.49Å; I597-L601 PolarHBondContact O-N 3.06Å |
| 598 | E | 94.1 | Very high | 92.8 | Very high | 24 Ų | 24 | 69.1 Ų | 69.1 | 11% | 0.112 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.3 | -49.5 | 178 | 177.4 | -84 | 149 | 0 | 0 | 111.7 | V567 C570 T594 V595 G600 L601 L602 | V567-E598 HydrophobicContact CG2-CG 4.44Å; C570-E598 HydrophobicContact CB-CB 3.94Å; C570-E598 HydrophobicContact CB-CG 4.26Å; T594-E598 VanDerWaalsContact O-CB 3.29Å; T594-E598 WeakPolarHBondContact O-CB 3.33Å; T594-E598 PolarHBondContact O-N 3.35Å; V595-E598 PolarHBondContact O-N 2.93Å; E598-G600 VanDerWaalsContact C-N 3.29Å; E598-G600 PolarHBondContact O-N 3.21Å; E598-L601 PolarHBondContact O-N 2.71Å; E598-L602 PolarHBondContact O-N 3.23Å; E598-L602 WeakPolarHBondContact OE1-CD1 3.49Å; E598-L602 WeakPolarHBondContact OE1-CG 3.37Å |
| 599 | H | 95 | Very high | 92.9 | Very high | 115 Ų | 115 | 66.9 Ų | 66.9 | 53% | 0.532 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62 | -37 | 174.5 | -77.7 | 63.5 | 0 | 0 | 0 | 112.2 | V595 L602 A603 | V595-H599 PolarHBondContact O-N 3.41Å; V595-H599 PolarHBondContact O-ND1 3.38Å; H599-L602 PolarHBondContact O-N 2.88Å; H599-A603 VanDerWaalsContact O-CB 3.26Å; H599-A603 WeakPolarHBondContact O-CB 3.15Å; H599-A603 PolarHBondContact O-N 3.03Å |
| 600 | G | 94.1 | Very high | 92.9 | Very high | 42 Ų | 42 | 70.5 Ų | 70.5 | 43% | 0.433 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A596 I597 E598 A603 F604 | A596-G600 PolarHBondContact O-N 3.39Å; I597-G600 PolarHBondContact O-N 3.42Å; E598-G600 VanDerWaalsContact C-N 3.29Å; E598-G600 PolarHBondContact O-N 3.21Å; G600-A603 PolarHBondContact O-N 3.42Å; G600-F604 WeakPolarHBondContact O-CB 3.11Å; G600-F604 PolarHBondContact O-N 2.94Å |
| 601 | L | 92.6 | Very high | 93.1 | Very high | 28 Ų | 28 | 75.2 Ų | 75.2 | 15% | 0.147 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69 | -40.1 | 176.8 | -71.5 | 175.8 | 0 | 0 | 0 | 112.2 | V245 V566 I597 E598 F604 K605 | V245-L601 HydrophobicContact CG2-CD2 4.26Å; V566-L601 HydrophobicContact CG1-CB 3.9Å; I597-L601 HydrophobicContact CG2-CD1 4.08Å; I597-L601 HydrophobicContact CG2-CG 4.4Å; I597-L601 WeakPolarHBondContact O-CG 3.49Å; I597-L601 PolarHBondContact O-N 3.06Å; E598-L601 PolarHBondContact O-N 2.71Å; L601-F604 PolarHBondContact O-N 2.93Å; L601-K605 WeakPolarHBondContact O-CB 3.36Å; L601-K605 PolarHBondContact O-N 3.09Å |
| 602 | L | 94.7 | Very high | 93.2 | Very high | 28 Ų | 28 | 72 Ų | 72 | 15% | 0.147 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.6 | -46 | 172.9 | -76.2 | -170.6 | 0 | 0 | 0 | 111.7 | V563 V566 E598 H599 F604 K605 F606 | V563-L602 HydrophobicContact CG1-CD2 4.04Å; V566-L602 HydrophobicContact CB-CD2 3.87Å; V566-L602 HydrophobicContact CG1-CD2 3.85Å; V566-L602 HydrophobicContact CG1-CG 4.07Å; V566-L602 HydrophobicContact CG2-CD2 4.07Å; E598-L602 PolarHBondContact O-N 3.23Å; E598-L602 WeakPolarHBondContact OE1-CD1 3.49Å; E598-L602 WeakPolarHBondContact OE1-CG 3.37Å; H599-L602 PolarHBondContact O-N 2.88Å; L602-F604 VanDerWaalsContact C-N 3.32Å; L602-F604 PolarHBondContact O-N 3.29Å; L602-K605 WeakPolarHBondContact O-CB 3.29Å; L602-K605 PolarHBondContact O-N 2.98Å; L602-F606 HydrophobicContact CB-CE2 4.31Å; L602-F606 WeakPolarHBondContact O-CD2 3.3Å; L602-F606 PolarHBondContact O-N 3.31Å |
| 603 | A | 94.8 | Very high | 93.2 | Very high | 49 Ų | 49 | 69.1 Ų | 69.1 | 41% | 0.405 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.1 | -45.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | H599 G600 K605 F606 I607 | H599-A603 VanDerWaalsContact O-CB 3.26Å; H599-A603 WeakPolarHBondContact O-CB 3.15Å; H599-A603 PolarHBondContact O-N 3.03Å; G600-A603 PolarHBondContact O-N 3.42Å; A603-K605 PolarHBondContact O-N 3.46Å; A603-F606 PolarHBondContact O-N 3.15Å; A603-I607 WeakPolarHBondContact O-CB 3.46Å; A603-I607 WeakPolarHBondContact O-CD1 3.3Å; A603-I607 WeakPolarHBondContact O-CG1 3.33Å; A603-I607 PolarHBondContact O-N 2.98Å |
| 604 | F | 92.7 | Very high | 93.3 | Very high | 97 Ų | 97 | 65.7 Ų | 65.7 | 43% | 0.425 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 175.7 | -176.1 | -107.7 | 0 | 0 | 0 | 112.4 | V249 G600 L601 L602 I607 L608 | V249-F604 HydrophobicContact CG1-CE1 4.38Å; V249-F604 HydrophobicContact CG2-CD1 4.06Å; V249-F604 HydrophobicContact CG2-CE1 3.59Å; G600-F604 WeakPolarHBondContact O-CB 3.11Å; G600-F604 PolarHBondContact O-N 2.94Å; L601-F604 PolarHBondContact O-N 2.93Å; L602-F604 VanDerWaalsContact C-N 3.32Å; L602-F604 PolarHBondContact O-N 3.29Å; F604-I607 PolarHBondContact O-N 2.79Å; F604-L608 HydrophobicContact CD1-CD1 3.9Å; F604-L608 HydrophobicContact CD1-CG 4.33Å; F604-L608 HydrophobicContact CE1-CD1 3.36Å; F604-L608 HydrophobicContact CE1-CD2 4.47Å; F604-L608 HydrophobicContact CE1-CG 3.91Å; F604-L608 HydrophobicContact CE2-CG 4.44Å; F604-L608 HydrophobicContact CZ-CD1 3.84Å; F604-L608 HydrophobicContact CZ-CD2 4.1Å; F604-L608 HydrophobicContact CZ-CG 3.97Å; F604-L608 WeakPolarHBondContact O-CG 3.2Å; F604-L608 PolarHBondContact O-N 3.48Å |
| 605 | K | 93.1 | Very high | 93.4 | Very high | 9 Ų | 9 | 66 Ų | 66 | 4% | 0.039 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.7 | -50.7 | 174.9 | 171.5 | 174.9 | -176.6 | 73.8 | 0 | 111.8 | T252 S562 V563 V566 L601 L602 A603 I607 L608 T609 | T252-K605 HydrophobicContact CG2-CG 3.91Å; T252-K605 WeakPolarHBondContact OG1-CG 3Å; T252-K605 PolarHBondContact OG1-NZ 3.36Å; S562-K605 PolarHBondContact OG-NZ 3.28Å; V563-K605 HydrophobicContact CG2-CD 4.26Å; V566-K605 HydrophobicContact CG2-CD 4.23Å; L601-K605 WeakPolarHBondContact O-CB 3.36Å; L601-K605 PolarHBondContact O-N 3.09Å; L602-K605 WeakPolarHBondContact O-CB 3.29Å; L602-K605 PolarHBondContact O-N 2.98Å; A603-K605 PolarHBondContact O-N 3.46Å; K605-I607 VanDerWaalsContact C-N 3.31Å; K605-I607 PolarHBondContact O-N 3.4Å; K605-L608 WeakPolarHBondContact O-CB 3.15Å; K605-L608 PolarHBondContact O-N 2.87Å; K605-T609 PolarHBondContact O-N 2.8Å |
| 606 | F | 93.9 | Very high | 93.5 | Very high | 116 Ų | 116 | 63.4 Ų | 63.4 | 51% | 0.509 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.4 | -34.7 | 179.1 | -71.2 | -59.7 | 0 | 0 | 0 | 112.5 | V563 L602 A603 T609 F610 | V563-F606 HydrophobicContact CG2-CZ 4.48Å; L602-F606 HydrophobicContact CB-CE2 4.31Å; L602-F606 WeakPolarHBondContact O-CD2 3.3Å; L602-F606 PolarHBondContact O-N 3.31Å; A603-F606 PolarHBondContact O-N 3.15Å; F606-T609 PolarHBondContact O-N 2.92Å; F606-F610 WeakPolarHBondContact O-CB 3.43Å; F606-F610 PolarHBondContact O-N 3.23Å |
| 607 | I | 94.6 | Very high | 93.5 | Very high | 91 Ų | 91 | 68.3 Ų | 68.3 | 47% | 0.467 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 171.9 | -70.2 | 164.2 | 0 | 0 | 0 | 110.4 | A603 F604 K605 T609 F610 L611 | A603-I607 WeakPolarHBondContact O-CB 3.46Å; A603-I607 WeakPolarHBondContact O-CD1 3.3Å; A603-I607 WeakPolarHBondContact O-CG1 3.33Å; A603-I607 PolarHBondContact O-N 2.98Å; F604-I607 PolarHBondContact O-N 2.79Å; K605-I607 VanDerWaalsContact C-N 3.31Å; K605-I607 PolarHBondContact O-N 3.4Å; I607-T609 PolarHBondContact O-N 3.39Å; I607-F610 PolarHBondContact O-N 3.03Å; I607-F610 VanDerWaalsContact O-N 3.15Å; I607-L611 HydrophobicContact CG2-CD1 3.71Å; I607-L611 HydrophobicContact CG2-CG 4.13Å; I607-L611 WeakPolarHBondContact O-CB 3.49Å; I607-L611 VanDerWaalsContact O-CG 3.25Å; I607-L611 WeakPolarHBondContact O-CG 3.48Å; I607-L611 PolarHBondContact O-N 3.27Å |
| 608 | L | 92.3 | Very high | 93.7 | Very high | 27 Ų | 27 | 69.2 Ų | 69.2 | 14% | 0.141 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60 | -45.6 | 177 | -76.8 | 179.4 | 0 | 0 | 0 | 112.3 | V249 T252 F604 K605 F610 L611 I612 | V249-L608 HydrophobicContact CG1-CD1 4.15Å; T252-L608 HydrophobicContact CG2-CB 4.08Å; T252-L608 HydrophobicContact CG2-CD1 4.48Å; F604-L608 HydrophobicContact CD1-CD1 3.9Å; F604-L608 HydrophobicContact CD1-CG 4.33Å; F604-L608 HydrophobicContact CE1-CD1 3.36Å; F604-L608 HydrophobicContact CE1-CD2 4.47Å; F604-L608 HydrophobicContact CE1-CG 3.91Å; F604-L608 HydrophobicContact CE2-CG 4.44Å; F604-L608 HydrophobicContact CZ-CD1 3.84Å; F604-L608 HydrophobicContact CZ-CD2 4.1Å; F604-L608 HydrophobicContact CZ-CG 3.97Å; F604-L608 WeakPolarHBondContact O-CG 3.2Å; F604-L608 PolarHBondContact O-N 3.48Å; K605-L608 WeakPolarHBondContact O-CB 3.15Å; K605-L608 PolarHBondContact O-N 2.87Å; L608-F610 VanDerWaalsContact C-N 3.26Å; L608-F610 PolarHBondContact O-N 3.26Å; L608-L611 PolarHBondContact O-N 2.99Å; L608-L611 VanDerWaalsContact O-N 3.17Å; L608-I612 WeakPolarHBondContact O-CG1 3.25Å; L608-I612 PolarHBondContact O-N 3.5Å |
| 609 | T | 91.8 | Very high | 93.6 | Very high | 45 Ų | 45 | 68.1 Ų | 68.1 | 28% | 0.276 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.4 | -37.5 | 174.7 | -72.8 | 0 | 0 | 0 | 0 | 111.9 | E256 K605 F606 I607 | E256-T609 VanDerWaalsContact OE1-CB 3.3Å; E256-T609 WeakPolarHBondContact OE1-CB 3.39Å; E256-T609 WeakPolarHBondContact OE1-CG2 3.35Å; E256-T609 PolarHBondContact OE1-OG1 3.27Å; K605-T609 PolarHBondContact O-N 2.8Å; F606-T609 PolarHBondContact O-N 2.92Å; I607-T609 PolarHBondContact O-N 3.39Å |
| 610 | F | 91.9 | Very high | 93.6 | Very high | 180 Ų | 180 | 66.8 Ų | 66.8 | 79% | 0.789 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -72 | -35 | 175.6 | -178.2 | -99.8 | 0 | 0 | 0 | 113.2 | F606 I607 L608 | F606-F610 WeakPolarHBondContact O-CB 3.43Å; F606-F610 PolarHBondContact O-N 3.23Å; I607-F610 PolarHBondContact O-N 3.03Å; I607-F610 VanDerWaalsContact O-N 3.15Å; L608-F610 VanDerWaalsContact C-N 3.26Å; L608-F610 PolarHBondContact O-N 3.26Å |
| 611 | L | 93.8 | Very high | 93.6 | Very high | 115 Ų | 115 | 69.4 Ų | 69.4 | 60% | 0.602 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -74.3 | -30.5 | -177.9 | -73.8 | 174.3 | 0 | 0 | 0 | 113.3 | I607 L608 P613 | I607-L611 HydrophobicContact CG2-CD1 3.71Å; I607-L611 HydrophobicContact CG2-CG 4.13Å; I607-L611 WeakPolarHBondContact O-CB 3.49Å; I607-L611 VanDerWaalsContact O-CG 3.25Å; I607-L611 WeakPolarHBondContact O-CG 3.48Å; I607-L611 PolarHBondContact O-N 3.27Å; L608-L611 PolarHBondContact O-N 2.99Å; L608-L611 VanDerWaalsContact O-N 3.17Å; L611-P613 VanDerWaalsContact O-CD 3.29Å; L611-P613 WeakPolarHBondContact O-CD 3.37Å |
| 612 | I | 92.9 | Very high | 93.6 | Very high | 35 Ų | 35 | 72.4 Ų | 72.4 | 18% | 0.179 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -93.9 | 107.3 | -179.1 | -59.1 | 170.4 | 0 | 0 | 0 | 108.4 | E256 L608 D614 | E256-I612 HydrophobicContact CB-CB 4.11Å; E256-I612 HydrophobicContact CB-CD1 3.97Å; E256-I612 HydrophobicContact CB-CG2 3.84Å; E256-I612 HydrophobicContact CG-CB 4.42Å; E256-I612 HydrophobicContact CG-CD1 4.28Å; L608-I612 WeakPolarHBondContact O-CG1 3.25Å; L608-I612 PolarHBondContact O-N 3.5Å; I612-D614 PolarHBondContact O-N 3.12Å |
| 613 | P | 93 | Very high | 93.5 | Very high | 62 Ų | 62 | 73.4 Ų | 73.4 | 40% | 0.403 | 37% | 0.366 | S | S | . | . | trans | -72.9 | 133.6 | -178.1 | 25.3 | -28.5 | 0 | 0 | 0 | 110.8 | R260 L611 V615 | R260-P613 WeakPolarHBondContact CD-O 3.33Å; R260-P613 WeakPolarHBondContact CG-O 3.29Å; R260-P613 PolarHBondContact NH1-O 3.04Å; L611-P613 VanDerWaalsContact O-CD 3.29Å; L611-P613 WeakPolarHBondContact O-CD 3.37Å; P613-V615 VanDerWaalsContact C-N 3.26Å; P613-V615 PolarHBondContact O-N 3.21Å | ||
| 614 | D | 93.4 | Very high | 93.4 | Very high | 80 Ų | 80 | 73.7 Ų | 73.7 | 43% | 0.428 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -54.4 | -38.1 | -179.5 | -66 | -16.2 | 0 | 0 | 0 | 113.5 | K259 R260 I612 | K259-D614 CarbonylContact C-O 3.6Å; K259-D614 HydrophobicContact CB-CB 4.42Å; K259-D614 WeakPolarHBondContact CD-OD1 3.48Å; K259-D614 WeakPolarHBondContact CE-OD1 3.27Å; K259-D614 IonicContact NZ-OD1 2.93Å; K259-D614 PolarHBondContact NZ-OD1 3.09Å; R260-D614 WeakPolarHBondContact CA-O 3.49Å; R260-D614 WeakPolarHBondContact CG-O 3.45Å; R260-D614 PolarHBondContact N-O 3.5Å; I612-D614 PolarHBondContact O-N 3.12Å |
| 615 | V | 94.1 | Very high | 93.4 | Very high | 35 Ų | 35 | 77.2 Ų | 77.2 | 21% | 0.212 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -109.1 | 129.6 | -179.2 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | A263 P613 I619 Q620 | A263-V615 HydrophobicContact CB-CG1 4.43Å; A263-V615 HydrophobicContact CB-CG2 4.17Å; P613-V615 VanDerWaalsContact C-N 3.26Å; P613-V615 PolarHBondContact O-N 3.21Å; V615-I619 HydrophobicContact CG1-CB 3.78Å; V615-I619 HydrophobicContact CG1-CG2 3.69Å; V615-Q620 HydrophobicContact CB-CG 3.94Å; V615-Q620 HydrophobicContact CG1-CG 3.8Å; V615-Q620 PolarHBondContact O-NE2 3.46Å |
| 616 | P | 95.5 | Very high | 93.3 | Very high | 10 Ų | 10 | 79.1 Ų | 79.1 | 7% | 0.065 | 39% | 0.389 | C | S | . | . | trans | -58.3 | 143.8 | 175 | -26.3 | 34.7 | 0 | 0 | 0 | 113.6 | R260 H618 I619 Q620 | R260-P616 HydrophobicContact CB-CG 4.32Å; P616-H618 VanDerWaalsContact C-N 3.29Å; P616-H618 PolarHBondContact O-N 3.01Å; P616-H618 VanDerWaalsContact O-N 3.16Å; P616-I619 HydrophobicContact CB-CD1 4.45Å; P616-I619 HydrophobicContact CB-CG1 4.43Å; P616-I619 HydrophobicContact CG-CD1 4.2Å; P616-I619 PolarHBondContact O-N 2.95Å; P616-Q620 PolarHBondContact O-N 2.99Å | ||
| 617 | K | 94.8 | Very high | 93.2 | Very high | 159 Ų | 159 | 79.9 Ų | 79.9 | 69% | 0.691 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -53.5 | -40.3 | -175.9 | -173.6 | 174.8 | -177.9 | 176.7 | 0 | 114 | I619 Q620 I621 | K617-I619 VanDerWaalsContact C-N 3.31Å; K617-I619 PolarHBondContact O-N 3.49Å; K617-Q620 PolarHBondContact O-N 2.94Å; K617-I621 HydrophobicContact CG-CD1 4.19Å; K617-I621 VanDerWaalsContact O-CG1 3.31Å; K617-I621 WeakPolarHBondContact O-CG1 3.46Å; K617-I621 PolarHBondContact O-N 2.9Å |
| 618 | H | 93.8 | Very high | 93.1 | Very high | 106 Ų | 106 | 81.7 Ų | 81.7 | 49% | 0.491 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66 | -33.5 | 179.8 | 71.3 | -84.4 | 0 | 0 | 0 | 112.4 | P616 K622 | P616-H618 VanDerWaalsContact C-N 3.29Å; P616-H618 PolarHBondContact O-N 3.01Å; P616-H618 VanDerWaalsContact O-N 3.16Å; H618-K622 WeakPolarHBondContact O-CG 3.2Å; H618-K622 PolarHBondContact O-N 3.18Å |
| 619 | I | 93.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 83.1 Ų | 83.1 | 1% | 0.005 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -74.9 | -42 | 175.5 | -58.9 | -177.5 | 0 | 0 | 0 | 110.2 | T264 Y267 L272 V615 P616 K617 I621 K622 L623 | T264-I619 VanDerWaalsContact CA-CD1 3.44Å; T264-I619 HydrophobicContact CG2-CD1 4.22Å; Y267-I619 HydrophobicContact CD2-CG2 3.73Å; Y267-I619 HydrophobicContact CG-CD1 4.45Å; Y267-I619 HydrophobicContact CG-CG1 4.47Å; Y267-I619 HydrophobicContact CG-CG2 3.85Å; L272-I619 HydrophobicContact CD2-CG2 3.98Å; V615-I619 HydrophobicContact CG1-CB 3.78Å; V615-I619 HydrophobicContact CG1-CG2 3.69Å; P616-I619 HydrophobicContact CB-CD1 4.45Å; P616-I619 HydrophobicContact CB-CG1 4.43Å; P616-I619 HydrophobicContact CG-CD1 4.2Å; P616-I619 PolarHBondContact O-N 2.95Å; K617-I619 VanDerWaalsContact C-N 3.31Å; K617-I619 PolarHBondContact O-N 3.49Å; I619-I621 VanDerWaalsContact C-N 3.26Å; I619-I621 PolarHBondContact O-N 2.97Å; I619-K622 PolarHBondContact O-N 3.28Å; I619-L623 HydrophobicContact CG2-CD1 4.06Å; I619-L623 HydrophobicContact CG2-CG 4.21Å; I619-L623 WeakPolarHBondContact O-CG 3.47Å; I619-L623 PolarHBondContact O-N 3.31Å |
| 620 | Q | 94 | Very high | 93 | Very high | 87 Ų | 87 | 84.7 Ų | 84.7 | 41% | 0.407 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -54.4 | -44 | 174.2 | -65.2 | -179 | 5 | 0 | 0 | 111.5 | V615 P616 K617 K622 L623 A624 | V615-Q620 HydrophobicContact CB-CG 3.94Å; V615-Q620 HydrophobicContact CG1-CG 3.8Å; V615-Q620 PolarHBondContact O-NE2 3.46Å; P616-Q620 PolarHBondContact O-N 2.99Å; K617-Q620 PolarHBondContact O-N 2.94Å; Q620-K622 PolarHBondContact O-N 3.28Å; Q620-L623 PolarHBondContact O-N 3.03Å; Q620-A624 VanDerWaalsContact O-CB 3.31Å; Q620-A624 WeakPolarHBondContact O-CB 3.5Å; Q620-A624 PolarHBondContact O-N 3.48Å |
| 621 | I | 94.4 | Very high | 93.1 | Very high | 97 Ų | 97 | 80.4 Ų | 80.4 | 50% | 0.497 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 176.5 | -67.2 | 164.9 | 0 | 0 | 0 | 111.2 | K617 I619 A624 R625 | K617-I621 HydrophobicContact CG-CD1 4.19Å; K617-I621 VanDerWaalsContact O-CG1 3.31Å; K617-I621 WeakPolarHBondContact O-CG1 3.46Å; K617-I621 PolarHBondContact O-N 2.9Å; I619-I621 VanDerWaalsContact C-N 3.26Å; I619-I621 PolarHBondContact O-N 2.97Å; I621-A624 PolarHBondContact O-N 2.96Å; I621-R625 WeakPolarHBondContact O-CB 3.45Å; I621-R625 PolarHBondContact O-N 3.01Å |
| 622 | K | 92.8 | Very high | 93.1 | Very high | 92 Ų | 92 | 78.5 Ų | 78.5 | 40% | 0.4 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 178.1 | -71.1 | -174.3 | -176.6 | -169.6 | 0 | 112 | Y267 H618 I619 Q620 R625 L626 | Y267-K622 HydrophobicContact CE1-CD 3.68Å; Y267-K622 HydrophobicContact CE2-CB 4.03Å; Y267-K622 HydrophobicContact CE2-CD 4.4Å; Y267-K622 VanDerWaalsContact OH-CD 3.28Å; Y267-K622 WeakPolarHBondContact OH-CD 3.27Å; H618-K622 WeakPolarHBondContact O-CG 3.2Å; H618-K622 PolarHBondContact O-N 3.18Å; I619-K622 PolarHBondContact O-N 3.28Å; Q620-K622 PolarHBondContact O-N 3.28Å; K622-R625 PolarHBondContact O-N 2.77Å; K622-L626 PolarHBondContact O-N 2.95Å |
| 623 | L | 91.9 | Very high | 93 | Very high | 49 Ų | 49 | 79.6 Ų | 79.6 | 26% | 0.257 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.8 | -45 | 175.7 | -67.5 | 175.2 | 0 | 0 | 0 | 111.8 | Y267 L272 I619 Q620 R625 L626 E627 | Y267-L623 HydrophobicContact CD2-CD2 4.24Å; Y267-L623 HydrophobicContact CE2-CD2 4.31Å; L272-L623 HydrophobicContact CD2-CD1 4Å; I619-L623 HydrophobicContact CG2-CD1 4.06Å; I619-L623 HydrophobicContact CG2-CG 4.21Å; I619-L623 WeakPolarHBondContact O-CG 3.47Å; I619-L623 PolarHBondContact O-N 3.31Å; Q620-L623 PolarHBondContact O-N 3.03Å; L623-R625 VanDerWaalsContact C-N 3.31Å; L623-R625 PolarHBondContact O-N 3.31Å; L623-L626 WeakPolarHBondContact O-CB 3.22Å; L623-L626 PolarHBondContact O-N 2.95Å; L623-E627 PolarHBondContact O-N 2.81Å |
| 624 | A | 92.9 | Very high | 93 | Very high | 55 Ų | 55 | 80.8 Ų | 80.8 | 46% | 0.455 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.7 | -38 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q620 I621 E627 F628 | Q620-A624 VanDerWaalsContact O-CB 3.31Å; Q620-A624 WeakPolarHBondContact O-CB 3.5Å; Q620-A624 PolarHBondContact O-N 3.48Å; I621-A624 PolarHBondContact O-N 2.96Å; A624-E627 PolarHBondContact O-N 3.39Å; A624-F628 WeakPolarHBondContact O-CB 3.35Å; A624-F628 PolarHBondContact O-N 3.13Å |
| 625 | R | 92.8 | Very high | 93 | Very high | 170 Ų | 170 | 83.7 Ų | 83.7 | 64% | 0.642 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63 | -45.2 | 173.1 | 178.5 | 177 | -82.9 | 178.1 | -6.9 | 111.4 | I621 K622 L623 E627 F628 E629 | I621-R625 WeakPolarHBondContact O-CB 3.45Å; I621-R625 PolarHBondContact O-N 3.01Å; K622-R625 PolarHBondContact O-N 2.77Å; L623-R625 VanDerWaalsContact C-N 3.31Å; L623-R625 PolarHBondContact O-N 3.31Å; R625-E627 VanDerWaalsContact C-N 3.32Å; R625-E627 PolarHBondContact O-N 3.32Å; R625-F628 PolarHBondContact O-N 3.33Å; R625-E629 HydrophobicContact CG-CG 4.47Å; R625-E629 WeakPolarHBondContact CG-OE1 3.08Å; R625-E629 WeakPolarHBondContact O-CG 3.07Å; R625-E629 PolarHBondContact O-N 3.03Å |
| 626 | L | 90.6 | Very high | 93 | Very high | 49 Ų | 49 | 87 Ų | 87 | 26% | 0.257 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 177.5 | -176.9 | 68.2 | 0 | 0 | 0 | 111.9 | F86 K622 L623 E629 S630 | F86-L626 HydrophobicContact CE1-CD2 4.3Å; K622-L626 PolarHBondContact O-N 2.95Å; L623-L626 WeakPolarHBondContact O-CB 3.22Å; L623-L626 PolarHBondContact O-N 2.95Å; L626-E629 PolarHBondContact O-N 3.04Å; L626-S630 PolarHBondContact O-N 3.14Å |
| 627 | E | 91.3 | Very high | 92.9 | Very high | 133 Ų | 133 | 92.5 Ų | 92.5 | 62% | 0.621 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -64.7 | -44.1 | 175.7 | -174.3 | 174 | -164.3 | 0 | 0 | 112 | L623 A624 R625 E629 S630 L631 | L623-E627 PolarHBondContact O-N 2.81Å; A624-E627 PolarHBondContact O-N 3.39Å; R625-E627 VanDerWaalsContact C-N 3.32Å; R625-E627 PolarHBondContact O-N 3.32Å; E627-E629 PolarHBondContact O-N 3.27Å; E627-S630 WeakPolarHBondContact O-CB 3.28Å; E627-S630 PolarHBondContact O-N 3.23Å; E627-L631 HydrophobicContact CG-CD1 4.45Å; E627-L631 WeakPolarHBondContact O-CG 3.3Å; E627-L631 PolarHBondContact O-N 3.42Å |
| 628 | F | 93.7 | Very high | 92.7 | Very high | 129 Ų | 129 | 91.2 Ų | 91.2 | 57% | 0.566 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -59 | -46.2 | 175.8 | 178.2 | -95.2 | 0 | 0 | 0 | 112.1 | A624 R625 S630 L631 E632 | A624-F628 WeakPolarHBondContact O-CB 3.35Å; A624-F628 PolarHBondContact O-N 3.13Å; R625-F628 PolarHBondContact O-N 3.33Å; F628-S630 VanDerWaalsContact C-N 3.33Å; F628-S630 PolarHBondContact O-N 3.47Å; F628-L631 PolarHBondContact O-N 2.92Å; F628-E632 PolarHBondContact O-N 3.35Å |
| 629 | E | 91.9 | Very high | 92.5 | Very high | 57 Ų | 57 | 92.2 Ų | 92.2 | 27% | 0.266 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 176.9 | -72.9 | 179 | -157.8 | 0 | 0 | 112 | R95 R625 L626 E627 E632 A633 | R95-E629 IonicContact CZ-OE2 2.82Å; R95-E629 IonicContact NH1-OE2 3.53Å; R95-E629 PolarHBondContact NH1-OE2 3.41Å; R95-E629 IonicContact NH2-OE1 3.89Å; R95-E629 IonicContact NH2-OE2 3.77Å; R95-E629 PolarHBondContact NH2-OE2 3.48Å; R625-E629 HydrophobicContact CG-CG 4.47Å; R625-E629 WeakPolarHBondContact CG-OE1 3.08Å; R625-E629 WeakPolarHBondContact O-CG 3.07Å; R625-E629 PolarHBondContact O-N 3.03Å; L626-E629 PolarHBondContact O-N 3.04Å; E627-E629 PolarHBondContact O-N 3.27Å; E629-E632 PolarHBondContact O-N 3.27Å; E629-A633 WeakPolarHBondContact O-CB 3.32Å; E629-A633 PolarHBondContact O-N 3.25Å |
| 630 | S | 90.8 | Very high | 92.3 | Very high | 78 Ų | 78 | 97.6 Ų | 97.6 | 55% | 0.545 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 175 | -176.3 | 0 | 0 | 0 | 0 | 112 | L626 E627 F628 A633 L634 | L626-S630 PolarHBondContact O-N 3.14Å; E627-S630 WeakPolarHBondContact O-CB 3.28Å; E627-S630 PolarHBondContact O-N 3.23Å; F628-S630 VanDerWaalsContact C-N 3.33Å; F628-S630 PolarHBondContact O-N 3.47Å; S630-A633 PolarHBondContact O-N 3.01Å; S630-L634 PolarHBondContact O-N 3.41Å |
| 631 | L | 93.2 | Very high | 92 | Very high | 89 Ų | 89 | 98 Ų | 98 | 47% | 0.466 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 175.9 | -71.6 | 171.2 | 0 | 0 | 0 | 112 | E627 F628 L634 K635 | E627-L631 HydrophobicContact CG-CD1 4.45Å; E627-L631 WeakPolarHBondContact O-CG 3.3Å; E627-L631 PolarHBondContact O-N 3.42Å; F628-L631 PolarHBondContact O-N 2.92Å; L631-L634 PolarHBondContact O-N 3.37Å; L631-K635 WeakPolarHBondContact O-CG 3.41Å; L631-K635 PolarHBondContact O-N 2.98Å |
| 632 | E | 93.7 | Very high | 91.6 | Very high | 76 Ų | 76 | 94.9 Ų | 94.9 | 36% | 0.355 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 177.3 | -163.1 | -170.9 | 161.1 | 0 | 0 | 111.7 | F628 E629 L634 K635 K636 | F628-E632 PolarHBondContact O-N 3.35Å; E629-E632 PolarHBondContact O-N 3.27Å; E632-L634 VanDerWaalsContact C-N 3.34Å; E632-L634 PolarHBondContact O-N 3.32Å; E632-K635 PolarHBondContact O-N 3.21Å; E632-K636 WeakPolarHBondContact O-CG 3.37Å; E632-K636 PolarHBondContact O-N 3.21Å; E632-K636 WeakPolarHBondContact OE1-CE 3.47Å; E632-K636 IonicContact OE1-NZ 3.08Å; E632-K636 PolarHBondContact OE1-NZ 2.95Å |
| 633 | A | 91.6 | Very high | 91.2 | Very high | 57 Ų | 57 | 93.9 Ų | 93.9 | 47% | 0.471 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60 | -44 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E629 S630 K635 K636 K637 | E629-A633 WeakPolarHBondContact O-CB 3.32Å; E629-A633 PolarHBondContact O-N 3.25Å; S630-A633 PolarHBondContact O-N 3.01Å; A633-K635 PolarHBondContact O-N 3.07Å; A633-K636 PolarHBondContact O-N 3.09Å; A633-K637 WeakPolarHBondContact O-CB 3.35Å; A633-K637 PolarHBondContact O-N 3.46Å |
| 634 | L | 92.9 | Very high | 90.7 | Very high | 88 Ų | 88 | 98 Ų | 98 | 46% | 0.461 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 175.7 | -177.2 | 63.4 | 0 | 0 | 0 | 112.1 | S630 L631 E632 K637 K638 | S630-L634 PolarHBondContact O-N 3.41Å; L631-L634 PolarHBondContact O-N 3.37Å; E632-L634 VanDerWaalsContact C-N 3.34Å; E632-L634 PolarHBondContact O-N 3.32Å; L634-K637 PolarHBondContact O-N 2.89Å; L634-K638 WeakPolarHBondContact O-CG 3.42Å; L634-K638 PolarHBondContact O-N 3.26Å |
| 635 | K | 92.9 | Very high | 90 | Very high | 141 Ų | 141 | 102 Ų | 102 | 61% | 0.613 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.7 | -47.4 | 175.3 | -73.9 | 177 | -172.5 | 179.4 | 0 | 111.3 | L631 E632 A633 K637 K638 M639 | L631-K635 WeakPolarHBondContact O-CG 3.41Å; L631-K635 PolarHBondContact O-N 2.98Å; E632-K635 PolarHBondContact O-N 3.21Å; A633-K635 PolarHBondContact O-N 3.07Å; K635-K637 PolarHBondContact O-N 3.4Å; K635-K638 PolarHBondContact O-N 3.41Å; K635-M639 WeakPolarHBondContact O-CG 3.31Å; K635-M639 PolarHBondContact O-N 3.16Å |
| 636 | K | 93.4 | Very high | 89.2 | Confident | 104 Ų | 104 | 103 Ų | 103 | 45% | 0.452 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.2 | -46.1 | 177.6 | -74 | 175.4 | -176.7 | 165.3 | 0 | 111.6 | E632 A633 K638 M639 L640 | E632-K636 WeakPolarHBondContact O-CG 3.37Å; E632-K636 PolarHBondContact O-N 3.21Å; E632-K636 WeakPolarHBondContact OE1-CE 3.47Å; E632-K636 IonicContact OE1-NZ 3.08Å; E632-K636 PolarHBondContact OE1-NZ 2.95Å; A633-K636 PolarHBondContact O-N 3.09Å; K636-K638 PolarHBondContact O-N 3.32Å; K636-M639 HydrophobicContact CG-CE 4.33Å; K636-M639 PolarHBondContact O-N 3.3Å; K636-L640 WeakPolarHBondContact O-CG 3.49Å; K636-L640 PolarHBondContact O-N 2.88Å |
| 637 | K | 92.9 | Very high | 88.5 | Confident | 125 Ų | 125 | 107.8 Ų | 107.8 | 54% | 0.543 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -56.7 | -50.1 | 175.4 | -179.6 | 172.6 | 174.1 | 175.7 | 0 | 111.9 | A633 L634 K635 M639 L640 E641 | A633-K637 WeakPolarHBondContact O-CB 3.35Å; A633-K637 PolarHBondContact O-N 3.46Å; L634-K637 PolarHBondContact O-N 2.89Å; K635-K637 PolarHBondContact O-N 3.4Å; K637-M639 VanDerWaalsContact C-N 3.33Å; K637-M639 PolarHBondContact O-N 2.85Å; K637-L640 PolarHBondContact O-N 3.06Å; K637-E641 WeakPolarHBondContact CE-OE1 3.34Å; K637-E641 HydrophobicContact CG-CG 4.47Å; K637-E641 IonicContact NZ-OE1 2.67Å; K637-E641 WeakPolarHBondContact O-CG 3.24Å; K637-E641 PolarHBondContact O-N 3.1Å |
| 638 | K | 91.1 | Very high | 87.7 | Confident | 133 Ų | 133 | 105.5 Ų | 105.5 | 58% | 0.578 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.3 | -36.6 | 178.3 | -72.8 | -175.8 | 177.4 | -173.3 | 0 | 113.4 | L634 K635 K636 G642 | L634-K638 WeakPolarHBondContact O-CG 3.42Å; L634-K638 PolarHBondContact O-N 3.26Å; K635-K638 PolarHBondContact O-N 3.41Å; K636-K638 PolarHBondContact O-N 3.32Å; K638-G642 PolarHBondContact O-N 3.18Å |
| 639 | M | 89.4 | Confident | 86.7 | Confident | 126 Ų | 126 | 104.3 Ų | 104.3 | 62% | 0.621 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.7 | -41 | 175.5 | -70.9 | -167.9 | -48.8 | 0 | 0 | 112.1 | K635 K636 K637 G642 T643 | K635-M639 WeakPolarHBondContact O-CG 3.31Å; K635-M639 PolarHBondContact O-N 3.16Å; K636-M639 HydrophobicContact CG-CE 4.33Å; K636-M639 PolarHBondContact O-N 3.3Å; K637-M639 VanDerWaalsContact C-N 3.33Å; K637-M639 PolarHBondContact O-N 2.85Å; M639-G642 PolarHBondContact O-N 3.26Å; M639-T643 WeakPolarHBondContact O-CB 3.48Å; M639-T643 PolarHBondContact O-N 3.16Å; M639-T643 PolarHBondContact O-OG1 3.06Å |
| 640 | L | 90.3 | Very high | 85.2 | Confident | 114 Ų | 114 | 111.9 Ų | 111.9 | 60% | 0.597 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.5 | -49.9 | 176.5 | -70.8 | 168.6 | 0 | 0 | 0 | 110.8 | K636 K637 G642 T643 E644 | K636-L640 WeakPolarHBondContact O-CG 3.49Å; K636-L640 PolarHBondContact O-N 2.88Å; K637-L640 PolarHBondContact O-N 3.06Å; L640-G642 VanDerWaalsContact C-N 3.3Å; L640-G642 PolarHBondContact O-N 3.2Å; L640-T643 CarbonylContact O-C 3.57Å; L640-T643 WeakPolarHBondContact O-CA 3.13Å; L640-T643 WeakPolarHBondContact O-CB 3.35Å; L640-T643 PolarHBondContact O-N 3.17Å; L640-E644 PolarHBondContact O-N 2.73Å |
| 641 | E | 88.4 | Confident | 85 | Confident | 96 Ų | 96 | 113.6 Ų | 113.6 | 45% | 0.449 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -57.3 | -42.2 | 176.2 | -71.9 | 170.7 | 172.1 | 0 | 0 | 111.7 | K637 T643 E644 F645 | K637-E641 WeakPolarHBondContact CE-OE1 3.34Å; K637-E641 HydrophobicContact CG-CG 4.47Å; K637-E641 IonicContact NZ-OE1 2.67Å; K637-E641 WeakPolarHBondContact O-CG 3.24Å; K637-E641 PolarHBondContact O-N 3.1Å; E641-T643 VanDerWaalsContact C-N 3.3Å; E641-T643 PolarHBondContact O-N 3.01Å; E641-E644 PolarHBondContact O-N 3.49Å; E641-F645 WeakPolarHBondContact O-CB 3.44Å; E641-F645 PolarHBondContact O-N 3.45Å |
| 642 | G | 85.8 | Confident | 84.5 | Confident | 32 Ų | 32 | 114.8 Ų | 114.8 | 33% | 0.33 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.7 | -31.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K638 M639 L640 R646 | K638-G642 PolarHBondContact O-N 3.18Å; M639-G642 PolarHBondContact O-N 3.26Å; L640-G642 VanDerWaalsContact C-N 3.3Å; L640-G642 PolarHBondContact O-N 3.2Å; G642-R646 VanDerWaalsContact O-CG 3.32Å; G642-R646 WeakPolarHBondContact O-CG 3.04Å; G642-R646 PolarHBondContact O-N 2.87Å; G642-R646 VanDerWaalsContact O-N 3.11Å |
| 643 | T | 84.1 | Confident | 84 | Confident | 70 Ų | 70 | 117 Ų | 117 | 43% | 0.429 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -75.5 | -41.6 | 176.8 | -53.4 | 0 | 0 | 0 | 0 | 111.2 | M639 L640 E641 R646 K647 | M639-T643 WeakPolarHBondContact O-CB 3.48Å; M639-T643 PolarHBondContact O-N 3.16Å; M639-T643 PolarHBondContact O-OG1 3.06Å; L640-T643 CarbonylContact O-C 3.57Å; L640-T643 WeakPolarHBondContact O-CA 3.13Å; L640-T643 WeakPolarHBondContact O-CB 3.35Å; L640-T643 PolarHBondContact O-N 3.17Å; E641-T643 VanDerWaalsContact C-N 3.3Å; E641-T643 PolarHBondContact O-N 3.01Å; T643-R646 PolarHBondContact O-N 3.31Å; T643-K647 WeakPolarHBondContact O-CG 3.31Å; T643-K647 PolarHBondContact O-N 3.4Å |
| 644 | E | 81.3 | Confident | 83.6 | Confident | 136 Ų | 136 | 120.5 Ų | 120.5 | 64% | 0.636 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.2 | -43.2 | 173.2 | -73.6 | -175.1 | 167.5 | 0 | 0 | 111.5 | L640 E641 R646 K647 S648 | L640-E644 PolarHBondContact O-N 2.73Å; E641-E644 PolarHBondContact O-N 3.49Å; E644-R646 PolarHBondContact O-N 3.09Å; E644-K647 CarbonylContact O-C 3.59Å; E644-K647 PolarHBondContact O-N 3.27Å; E644-K647 VanDerWaalsContact O-N 3.13Å; E644-S648 PolarHBondContact O-N 3.49Å; E644-S648 PolarHBondContact O-OG 3Å |
| 645 | F | 78.2 | Confident | 83 | Confident | 140 Ų | 140 | 122.6 Ų | 122.6 | 61% | 0.614 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -58.8 | -46.7 | 174.5 | -174.7 | -100.1 | 0 | 0 | 0 | 111.4 | E641 K647 S648 V649 | E641-F645 WeakPolarHBondContact O-CB 3.44Å; E641-F645 PolarHBondContact O-N 3.45Å; F645-K647 VanDerWaalsContact C-N 3.3Å; F645-K647 PolarHBondContact O-N 2.81Å; F645-S648 WeakPolarHBondContact CA-OG 3.38Å; F645-S648 PolarHBondContact O-N 3.32Å; F645-S648 VanDerWaalsContact O-N 3.12Å; F645-S648 PolarHBondContact O-OG 3.39Å; F645-V649 HydrophobicContact CD1-CG2 4.27Å; F645-V649 HydrophobicContact CE1-CG2 3.91Å; F645-V649 HydrophobicContact CE2-CG2 4.26Å; F645-V649 HydrophobicContact CZ-CG2 3.91Å; F645-V649 VanDerWaalsContact O-CG2 3.3Å; F645-V649 WeakPolarHBondContact O-CG2 3.44Å; F645-V649 PolarHBondContact O-N 2.9Å; F645-V649 VanDerWaalsContact O-N 3.14Å |
| 646 | R | 75.8 | Confident | 82.3 | Confident | 189 Ų | 189 | 121.3 Ų | 121.3 | 71% | 0.713 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.2 | -37.8 | 175.2 | -76.8 | 177 | -176.2 | -176.6 | 1.9 | 113 | G642 T643 E644 Q650 | G642-R646 VanDerWaalsContact O-CG 3.32Å; G642-R646 WeakPolarHBondContact O-CG 3.04Å; G642-R646 PolarHBondContact O-N 2.87Å; G642-R646 VanDerWaalsContact O-N 3.11Å; T643-R646 PolarHBondContact O-N 3.31Å; E644-R646 PolarHBondContact O-N 3.09Å; R646-Q650 PolarHBondContact O-N 2.59Å |
| 647 | K | 76.7 | Confident | 81.5 | Confident | 150 Ų | 150 | 122.6 Ų | 122.6 | 65% | 0.652 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -71.5 | -27.1 | 175.3 | -75.1 | 179.9 | 177.9 | -178.6 | 0 | 113.5 | T643 E644 F645 | T643-K647 WeakPolarHBondContact O-CG 3.31Å; T643-K647 PolarHBondContact O-N 3.4Å; E644-K647 CarbonylContact O-C 3.59Å; E644-K647 PolarHBondContact O-N 3.27Å; E644-K647 VanDerWaalsContact O-N 3.13Å; F645-K647 VanDerWaalsContact C-N 3.3Å; F645-K647 PolarHBondContact O-N 2.81Å |
| 648 | S | 73 | Confident | 80.7 | Confident | 85 Ų | 85 | 122.4 Ų | 122.4 | 59% | 0.594 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -81 | -18.6 | 176.9 | 69.2 | 0 | 0 | 0 | 0 | 113.8 | E644 F645 | E644-S648 PolarHBondContact O-N 3.49Å; E644-S648 PolarHBondContact O-OG 3Å; F645-S648 WeakPolarHBondContact CA-OG 3.38Å; F645-S648 PolarHBondContact O-N 3.32Å; F645-S648 VanDerWaalsContact O-N 3.12Å; F645-S648 PolarHBondContact O-OG 3.39Å |
| 649 | V | 72.9 | Confident | 79.8 | Confident | 104 Ų | 104 | 121.5 Ų | 121.5 | 63% | 0.63 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -96.5 | -17.7 | -179.9 | 176.4 | 0 | 0 | 0 | 0 | 112 | F645 | F645-V649 HydrophobicContact CD1-CG2 4.27Å; F645-V649 HydrophobicContact CE1-CG2 3.91Å; F645-V649 HydrophobicContact CE2-CG2 4.26Å; F645-V649 HydrophobicContact CZ-CG2 3.91Å; F645-V649 VanDerWaalsContact O-CG2 3.3Å; F645-V649 WeakPolarHBondContact O-CG2 3.44Å; F645-V649 PolarHBondContact O-N 2.9Å; F645-V649 VanDerWaalsContact O-N 3.14Å |
| 650 | Q | 61.6 | Low | 78.9 | Confident | 216 Ų | 216 | 121.1 Ų | 121.1 | 100% | 1.009 | 61% | 0.605 | S | S | * | * | trans | -87.7 | 0 | 167.8 | -74 | -177.5 | -19.6 | 0 | 0 | 110.2 | R646 | R646-Q650 PolarHBondContact O-N 2.59Š|
Retrieved 650 of 650 residues in 845.3 ms
(Link to these results)