| 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 | 39.9 | Very low | 44.7 | Very low | 236 Ų | 236 | 163.8 Ų | 163.8 | 100% | 1.163 | 84% | 0.841 | S | S | * | * | 0 | 85.8 | 0 | -78.8 | 159.7 | 56.2 | 0 | 0 | 108.7 | |||||
| 2 | N | 36.7 | Very low | 45.2 | Very low | 170 Ų | 170 | 159.3 Ų | 159.3 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | trans | -108.5 | 117.1 | 175 | -85.4 | -0.6 | 0 | 0 | 0 | 108.7 | ||||
| 3 | K | 40.8 | Very low | 45.6 | Very low | 203 Ų | 203 | 154.4 Ų | 154.4 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -72.8 | 123 | -178.9 | -76.4 | 179 | 176.9 | -179.8 | 0 | 109.6 | L5 | K3-L5 PolarHBondContact O-N 2.71Š| ||
| 4 | L | 41.6 | Very low | 45.7 | Very low | 156 Ų | 156 | 154.4 Ų | 154.4 | 82% | 0.817 | 82% | 0.815 | S | S | * | * | trans | -67 | 115 | 167.1 | -136.3 | 88.7 | 0 | 0 | 0 | 108.2 | L6 | L4-L6 PolarHBondContact O-N 3.29Š| ||
| 5 | L | 44.4 | Very low | 45.8 | Very low | 150 Ų | 150 | 154.7 Ų | 154.7 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -86.4 | 99.9 | 170.1 | -100.4 | 136 | 0 | 0 | 0 | 108.2 | K3 W7 | K3-L5 PolarHBondContact O-N 2.71Å; L5-W7 PolarHBondContact O-N 2.85Å | ||
| 6 | L | 45.3 | Very low | 45.9 | Very low | 142 Ų | 142 | 155.2 Ų | 155.2 | 74% | 0.743 | 81% | 0.812 | S | S | * | * | trans | -73.5 | 108.6 | 168.4 | -88.7 | 143.8 | 0 | 0 | 0 | 108.8 | L4 V8 | L4-L6 PolarHBondContact O-N 3.29Å; L6-V8 PolarHBondContact O-N 2.62Å | ||
| 7 | W | 47 | Very low | 46.2 | Very low | 233 Ų | 233 | 151.2 Ų | 151.2 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -79.5 | 108.8 | 166.3 | -82 | 29.8 | 0 | 0 | 0 | 108.6 | L5 S9 | L5-W7 PolarHBondContact O-N 2.85Å; W7-S9 PolarHBondContact O-N 2.9Å | ||
| 8 | V | 49.4 | Very low | 46.7 | Very low | 124 Ų | 124 | 149.2 Ų | 149.2 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -86.7 | 99.1 | 168.4 | 179.5 | 0 | 0 | 0 | 0 | 107.2 | L6 V10 | L6-V8 PolarHBondContact O-N 2.62Å; V8-V10 HydrophobicContact CG1-CG2 4.3Å; V8-V10 PolarHBondContact O-N 3.25Å | ||
| 9 | S | 48.9 | Very low | 47.9 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -75.2 | 103.2 | 168.2 | 48.7 | 0 | 0 | 0 | 0 | 109 | W7 L11 | W7-S9 PolarHBondContact O-N 2.9Å; S9-L11 PolarHBondContact O-N 3.48Å | ||
| 10 | V | 48.8 | Very low | 49.7 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | trans | -74.4 | 103.4 | 170.4 | -178.9 | 0 | 0 | 0 | 0 | 107.7 | V8 T12 | V8-V10 HydrophobicContact CG1-CG2 4.3Å; V8-V10 PolarHBondContact O-N 3.25Å; V10-T12 HydrophobicContact CG1-CG2 4.02Å; V10-T12 PolarHBondContact O-N 3.13Å | ||
| 11 | L | 48.4 | Very low | 51.8 | Low | 163 Ų | 163 | 139.7 Ų | 139.7 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | trans | -80.2 | 93.3 | 171.1 | -162.7 | 83.7 | 0 | 0 | 0 | 107.9 | S9 S13 | S9-L11 PolarHBondContact O-N 3.48Å; L11-S13 PolarHBondContact O-N 2.88Å; L11-S13 VanDerWaalsContact O-N 3.1Å | ||
| 12 | T | 51.6 | Low | 54.5 | Low | 109 Ų | 109 | 132.6 Ų | 132.6 | 67% | 0.669 | 72% | 0.715 | S | S | * | * | trans | -74.8 | 95.4 | 169.4 | 50 | 0 | 0 | 0 | 0 | 108.6 | V10 L14 | V10-T12 HydrophobicContact CG1-CG2 4.02Å; V10-T12 PolarHBondContact O-N 3.13Å; T12-L14 VanDerWaalsContact C-N 3.33Å; T12-L14 PolarHBondContact O-N 2.93Å | ||
| 13 | S | 49.4 | Very low | 57.5 | Low | 96 Ų | 96 | 124.6 Ų | 124.6 | 67% | 0.671 | 67% | 0.673 | S | S | * | * | trans | -70 | 93.7 | 162 | 56.4 | 0 | 0 | 0 | 0 | 108 | L11 L15 | L11-S13 PolarHBondContact O-N 2.88Å; L11-S13 VanDerWaalsContact O-N 3.1Å; S13-L15 PolarHBondContact O-N 3.04Å | ||
| 14 | L | 47.7 | Very low | 60.2 | Low | 155 Ų | 155 | 117.6 Ų | 117.6 | 81% | 0.812 | 65% | 0.649 | S | S | * | * | trans | -66.5 | 101 | 163 | -76.8 | 161.7 | 0 | 0 | 0 | 106.4 | T12 E16 | T12-L14 VanDerWaalsContact C-N 3.33Å; T12-L14 PolarHBondContact O-N 2.93Å; L14-E16 PolarHBondContact O-N 2.74Å; L14-E16 VanDerWaalsContact O-N 3.1Å | ||
| 15 | L | 46.6 | Very low | 62.9 | Low | 159 Ų | 159 | 112.3 Ų | 112.3 | 83% | 0.832 | 63% | 0.632 | S | S | * | * | trans | -59.9 | 111.6 | 154.9 | -90.2 | 112.3 | 0 | 0 | 0 | 105.2 | S13 A17 | S13-L15 PolarHBondContact O-N 3.04Å; L15-A17 PolarHBondContact O-N 3.44Å | ||
| 16 | E | 47.7 | Very low | 65.5 | Low | 162 Ų | 162 | 109.1 Ų | 109.1 | 76% | 0.757 | 61% | 0.612 | S | S | * | * | trans | -60.3 | 91.2 | 164.3 | -77.5 | 179.3 | 163.8 | 0 | 0 | 106.8 | L14 F18 | L14-E16 PolarHBondContact O-N 2.74Å; L14-E16 VanDerWaalsContact O-N 3.1Å; E16-F18 PolarHBondContact O-N 3.41Å | ||
| 17 | A | 50.7 | Low | 68 | Low | 88 Ų | 88 | 102.4 Ų | 102.4 | 73% | 0.727 | 58% | 0.577 | S | S | * | * | trans | -63 | 105.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | L15 A19 | L15-A17 PolarHBondContact O-N 3.44Å; A17-A19 PolarHBondContact O-N 3.16Å | ||
| 18 | F | 56 | Low | 70.5 | Confident | 115 Ų | 115 | 91.3 Ų | 91.3 | 50% | 0.504 | 54% | 0.535 | S | S | . | . | trans | -57.8 | 102 | 172.4 | -71.4 | -83 | 0 | 0 | 0 | 108.3 | E16 H20 I42 N208 | E16-F18 PolarHBondContact O-N 3.41Å; F18-H20 PolarHBondContact O-N 2.91Å; F18-I42 HydrophobicContact CD1-CD1 4.18Å; F18-I42 HydrophobicContact CE1-CD1 4.02Å; F18-N208 VanDerWaalsContact CB-ND2 3.3Å; F18-N208 WeakPolarHBondContact CB-ND2 3.41Å | ||
| 19 | A | 68.6 | Low | 72.9 | Confident | 75 Ų | 75 | 86.6 Ų | 86.6 | 62% | 0.62 | 51% | 0.506 | S | S | * | . | trans | -76.8 | 115.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | A17 T21 | A17-A19 PolarHBondContact O-N 3.16Å; A19-T21 PolarHBondContact O-N 3.28Å | ||
| 20 | H | 84.9 | Confident | 75.2 | Confident | 124 Ų | 124 | 81.4 Ų | 81.4 | 57% | 0.574 | 47% | 0.47 | S | S | * | . | trans | -64.6 | 133.7 | 168.7 | -62.3 | 79.6 | 0 | 0 | 0 | 108.4 | F18 A206 | F18-H20 PolarHBondContact O-N 2.91Å; H20-A206 HydrophobicContact CB-CB 4.1Å; H20-A206 PolarHBondContact CD2-O 3.48Å | ||
| 21 | T | 93.3 | Very high | 77.6 | Confident | 49 Ų | 49 | 78.4 Ų | 78.4 | 30% | 0.301 | 45% | 0.452 | S | S | . | . | B | Isolated β-bridge | trans | -114.7 | 132.4 | -175.9 | -57.2 | 0 | 0 | 0 | 0 | 110.3 | A19 L23 L207 Y209 | A19-T21 PolarHBondContact O-N 3.28Å; T21-L23 HydrophobicContact CG2-CD2 3.97Å; T21-L23 HydrophobicContact CG2-CG 4.38Å; T21-L23 PolarHBondContact O-N 2.78Å; T21-L207 PolarHBondContact N-O 2.92Å; T21-L207 PolarHBondContact O-N 3.29Å; T21-Y209 HydrophobicContact CG2-CE1 4.23Å |
| 22 | D | 97.2 | Very high | 80 | Confident | 87 Ų | 87 | 76.9 Ų | 76.9 | 47% | 0.465 | 44% | 0.435 | S | S | . | . | trans | -79.9 | 115 | 170.4 | -174.3 | 1.2 | 0 | 0 | 0 | 110.8 | S24 R205 | D22-S24 WeakPolarHBondContact OD1-CB 3.31Å; D22-S24 PolarHBondContact OD1-N 2.91Å; D22-S24 PolarHBondContact OD1-OG 3.4Å; D22-R205 VanDerWaalsContact CA-O 3.3Å; D22-R205 WeakPolarHBondContact CA-O 3.45Å; D22-R205 WeakPolarHBondContact CB-O 2.96Å | ||
| 23 | L | 98.3 | Very high | 82.3 | Confident | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.01 | 42% | 0.422 | C | S | . | . | trans | -104.4 | 15.5 | 177.5 | -62.9 | 177.9 | 0 | 0 | 0 | 113 | T21 G25 K26 F28 W204 L207 Y209 I217 | T21-L23 HydrophobicContact CG2-CD2 3.97Å; T21-L23 HydrophobicContact CG2-CG 4.38Å; T21-L23 PolarHBondContact O-N 2.78Å; L23-G25 PolarHBondContact O-N 2.89Å; L23-K26 HydrophobicContact CD2-CD 4.29Å; L23-K26 WeakPolarHBondContact O-CA 3.48Å; L23-K26 WeakPolarHBondContact O-CB 3.34Å; L23-K26 PolarHBondContact O-N 3.21Å; L23-F28 HydrophobicContact CD1-CE1 4.23Å; L23-F28 HydrophobicContact CD1-CE2 4.08Å; L23-F28 HydrophobicContact CD1-CZ 3.61Å; L23-W204 HydrophobicContact CB-CD2 4Å; L23-W204 VanDerWaalsContact CB-CE2 3.48Å; L23-W204 HydrophobicContact CB-CG 4.17Å; L23-W204 HydrophobicContact CB-CZ2 3.91Å; L23-W204 HydrophobicContact CD1-CD2 4.33Å; L23-W204 HydrophobicContact CD1-CE3 4.38Å; L23-W204 HydrophobicContact CD1-CH2 3.93Å; L23-W204 HydrophobicContact CD1-CZ2 3.82Å; L23-W204 HydrophobicContact CD1-CZ3 4.21Å; L23-W204 PolarHBondContact N-O 2.71Å; L23-W204 PolarHBondContact O-NE1 2.86Å; L23-L207 HydrophobicContact CD1-CB 4.28Å; L23-L207 HydrophobicContact CD1-CD2 3.64Å; L23-Y209 HydrophobicContact CD1-CD1 4.22Å; L23-Y209 HydrophobicContact CD1-CE1 3.87Å; L23-Y209 HydrophobicContact CD2-CE1 4.3Å; L23-Y209 HydrophobicContact CG-CE1 4.33Å; L23-I217 HydrophobicContact CD2-CD1 4.14Å; L23-I217 HydrophobicContact CD2-CG2 4.36Å | ||
| 24 | S | 98.1 | Very high | 84.6 | Confident | 55 Ų | 55 | 71.5 Ų | 71.5 | 39% | 0.385 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 128.8 | 174.7 | -62.5 | 0 | 0 | 0 | 0 | 111.7 | D22 K26 | D22-S24 WeakPolarHBondContact OD1-CB 3.31Å; D22-S24 PolarHBondContact OD1-N 2.91Å; D22-S24 PolarHBondContact OD1-OG 3.4Å; S24-K26 PolarHBondContact O-N 3.1Å |
| 25 | G | 98.1 | Very high | 87 | Confident | 45 Ų | 45 | 67.5 Ų | 67.5 | 46% | 0.464 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 17.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | L23 P219 L220 | L23-G25 PolarHBondContact O-N 2.89Å; G25-P219 CarbonylContact O-C 3.6Å; G25-P219 WeakPolarHBondContact O-CA 3.16Å; G25-L220 PolarHBondContact O-N 2.85Å |
| 26 | K | 98.8 | Very high | 89.5 | Confident | 83 Ų | 83 | 63.4 Ų | 63.4 | 36% | 0.361 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 162 | 177.8 | -57.2 | 172.1 | -170.4 | 158.2 | 0 | 111.8 | L23 S24 W204 I217 K218 | L23-K26 HydrophobicContact CD2-CD 4.29Å; L23-K26 WeakPolarHBondContact O-CA 3.48Å; L23-K26 WeakPolarHBondContact O-CB 3.34Å; L23-K26 PolarHBondContact O-N 3.21Å; S24-K26 PolarHBondContact O-N 3.1Å; K26-W204 PolarHBondContact O-NE1 3.06Å; K26-I217 HydrophobicContact CB-CG2 3.87Å; K26-I217 HydrophobicContact CD-CG2 3.75Å; K26-I217 HydrophobicContact CG-CG2 4.24Å; K26-K218 CarbonylContact C-O 3.48Å; K26-K218 WeakPolarHBondContact CA-O 3.42Å; K26-K218 WeakPolarHBondContact CB-O 3.15Å |
| 27 | V | 98.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 154.9 | 176.6 | -63.5 | 0 | 0 | 0 | 0 | 110.9 | V29 E172 I173 I217 K218 L220 W222 | V27-V29 HydrophobicContact CG2-CG2 3.87Å; V27-E172 HydrophobicContact CB-CB 4.38Å; V27-E172 HydrophobicContact CG2-CB 4.28Å; V27-E172 WeakPolarHBondContact CG2-OE2 3.49Å; V27-I173 CarbonylContact C-O 3.59Å; V27-I173 VanDerWaalsContact CA-O 3.29Å; V27-I173 WeakPolarHBondContact CA-O 3.35Å; V27-I173 WeakPolarHBondContact CB-O 3.29Å; V27-I217 VanDerWaalsContact O-CA 3.3Å; V27-I217 WeakPolarHBondContact O-CA 3.3Å; V27-K218 HydrophobicContact CG2-CB 4.28Å; V27-K218 WeakPolarHBondContact CG2-O 3.24Å; V27-K218 PolarHBondContact N-O 3.04Å; V27-K218 PolarHBondContact O-N 2.62Å; V27-K218 VanDerWaalsContact O-N 3.08Å; V27-L220 HydrophobicContact CG1-CB 4Å; V27-L220 HydrophobicContact CG1-CD1 3.39Å; V27-L220 HydrophobicContact CG1-CG 4.2Å; V27-W222 HydrophobicContact CG1-CZ2 3.79Å |
| 28 | F | 98.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 127.5 | 155.4 | -66.4 | -53.4 | 0 | 0 | 0 | 109.3 | L23 F30 V39 L152 E172 I173 W204 L207 Y209 I211 V215 I217 | L23-F28 HydrophobicContact CD1-CE1 4.23Å; L23-F28 HydrophobicContact CD1-CE2 4.08Å; L23-F28 HydrophobicContact CD1-CZ 3.61Å; F28-F30 HydrophobicContact CB-CE2 3.79Å; F28-F30 HydrophobicContact CB-CZ 4.16Å; F28-V39 HydrophobicContact CD1-CG2 4.13Å; F28-V39 HydrophobicContact CD2-CG1 4.44Å; F28-V39 HydrophobicContact CD2-CG2 4.15Å; F28-V39 HydrophobicContact CE1-CG1 4.49Å; F28-V39 HydrophobicContact CE1-CG2 4.37Å; F28-V39 HydrophobicContact CE2-CG1 3.93Å; F28-V39 HydrophobicContact CE2-CG2 4.4Å; F28-V39 HydrophobicContact CG-CG2 4.04Å; F28-V39 HydrophobicContact CZ-CG1 3.97Å; F28-L152 HydrophobicContact CD2-CD1 4.11Å; F28-L152 HydrophobicContact CE2-CD1 4.48Å; F28-E172 CarbonylContact O-C 3.49Å; F28-E172 VanDerWaalsContact O-CA 3.29Å; F28-E172 WeakPolarHBondContact O-CA 3.4Å; F28-I173 PolarHBondContact N-O 2.86Å; F28-I173 PolarHBondContact O-N 3.3Å; F28-W204 AromaticContact CD2-CH2 3.45Å; F28-W204 HydrophobicContact CD2-CH2 3.45Å; F28-W204 VanDerWaalsContact CD2-CH2 3.45Å; F28-W204 HydrophobicContact CD2-CZ2 4.47Å; F28-W204 HydrophobicContact CD2-CZ3 4.06Å; F28-W204 AromaticContact CE2-CH2 3.44Å; F28-W204 HydrophobicContact CE2-CH2 3.44Å; F28-W204 VanDerWaalsContact CE2-CH2 3.44Å; F28-W204 HydrophobicContact CE2-CZ2 4.49Å; F28-W204 AromaticContact CE2-CZ3 3.74Å; F28-W204 HydrophobicContact CE2-CZ3 3.74Å; F28-W204 HydrophobicContact CG-CH2 4.3Å; F28-W204 HydrophobicContact CZ-CH2 4.31Å; F28-L207 HydrophobicContact CE2-CD2 4.04Å; F28-L207 HydrophobicContact CZ-CD2 4.25Å; F28-Y209 AromaticContact CE1-CD2 3.9Å; F28-Y209 HydrophobicContact CE1-CD2 3.9Å; F28-Y209 AromaticContact CE1-CE2 3.73Å; F28-Y209 HydrophobicContact CE1-CE2 3.73Å; F28-Y209 HydrophobicContact CE1-CG 4.45Å; F28-Y209 HydrophobicContact CZ-CD1 4.03Å; F28-Y209 AromaticContact CZ-CD2 3.63Å; F28-Y209 HydrophobicContact CZ-CD2 3.63Å; F28-Y209 HydrophobicContact CZ-CE1 4.21Å; F28-Y209 AromaticContact CZ-CE2 3.85Å; F28-Y209 HydrophobicContact CZ-CE2 3.85Å; F28-Y209 AromaticContact CZ-CG 3.75Å; F28-Y209 HydrophobicContact CZ-CG 3.75Å; F28-I211 HydrophobicContact CD1-CD1 4.35Å; F28-I211 HydrophobicContact CE1-CD1 4.07Å; F28-I211 HydrophobicContact CE1-CG1 4.25Å; F28-V215 HydrophobicContact CB-CG1 3.93Å; F28-V215 HydrophobicContact CD1-CG1 4.16Å; F28-V215 HydrophobicContact CG-CG1 4.34Å; F28-I217 HydrophobicContact CD1-CD1 4.5Å; F28-I217 HydrophobicContact CD1-CG1 3.79Å; F28-I217 HydrophobicContact CE1-CD1 3.97Å; F28-I217 HydrophobicContact CE1-CG1 3.77Å |
| 29 | V | 98.9 | Very high | 96.3 | Very high | 25 Ų | 25 | 47.1 Ų | 47.1 | 15% | 0.152 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 121 | 173.1 | -171.6 | 0 | 0 | 0 | 0 | 108.3 | V27 P31 G171 E172 V215 I216 K218 | V27-V29 HydrophobicContact CG2-CG2 3.87Å; V29-P31 HydrophobicContact CG1-CB 4.38Å; V29-P31 HydrophobicContact CG1-CG 4Å; V29-P31 VanDerWaalsContact O-CD 3.25Å; V29-P31 WeakPolarHBondContact O-CD 3.41Å; V29-G171 WeakPolarHBondContact CA-O 3.04Å; V29-E172 HydrophobicContact CG1-CG 4.21Å; V29-E172 HydrophobicContact CG2-CG 4.12Å; V29-V215 WeakPolarHBondContact O-CA 3.26Å; V29-V215 WeakPolarHBondContact O-CG1 3.45Å; V29-I216 WeakPolarHBondContact CB-O 3.45Å; V29-I216 WeakPolarHBondContact CG2-O 3.34Å; V29-I216 PolarHBondContact N-O 3.48Å; V29-I216 PolarHBondContact O-N 3.36Å; V29-K218 HydrophobicContact CG2-CB 3.85Å; V29-K218 HydrophobicContact CG2-CG 3.89Å |
| 30 | F | 98.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.009 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 90.4 | 170.8 | -59.2 | -92.3 | 0 | 0 | 0 | 107.4 | F28 R32 V39 L152 G153 F169 V170 G171 I173 V215 | F28-F30 HydrophobicContact CB-CE2 3.79Å; F28-F30 HydrophobicContact CB-CZ 4.16Å; F30-R32 VanDerWaalsContact C-N 3.29Å; F30-R32 PolarHBondContact O-N 3.32Å; F30-V39 HydrophobicContact CE1-CG2 4.08Å; F30-V39 HydrophobicContact CZ-CG2 3.88Å; F30-L152 HydrophobicContact CZ-CB 3.8Å; F30-G153 VanDerWaalsContact CE1-CA 3.45Å; F30-F169 HydrophobicContact CB-CD1 4.18Å; F30-F169 AromaticContact CD2-CD1 3.56Å; F30-F169 HydrophobicContact CD2-CD1 3.56Å; F30-F169 AromaticContact CD2-CE1 3.78Å; F30-F169 HydrophobicContact CD2-CE1 3.78Å; F30-F169 HydrophobicContact CE2-CD1 4.18Å; F30-F169 HydrophobicContact CE2-CE1 4.41Å; F30-F169 HydrophobicContact CG-CD1 4Å; F30-V170 WeakPolarHBondContact O-CA 3.35Å; F30-V170 WeakPolarHBondContact O-CG1 3.44Å; F30-G171 PolarHBondContact N-O 2.67Å; F30-G171 PolarHBondContact O-N 2.76Å; F30-I173 HydrophobicContact CE2-CB 4.48Å; F30-I173 HydrophobicContact CE2-CD1 4.19Å; F30-V215 HydrophobicContact CD1-CG1 4.23Å; F30-V215 HydrophobicContact CD1-CG2 3.77Å; F30-V215 HydrophobicContact CE1-CG1 4Å; F30-V215 HydrophobicContact CE1-CG2 3.71Å; F30-V215 HydrophobicContact CZ-CG1 4.19Å |
| 31 | P | 98.8 | Very high | 98.4 | Very high | 50 Ų | 50 | 39 Ų | 39 | 33% | 0.325 | 22% | 0.218 | S | C | . | . | trans | -81.4 | -6.3 | -158.2 | -13.8 | 31.5 | 0 | 0 | 0 | 114.3 | V29 Y214 I216 | V29-P31 HydrophobicContact CG1-CB 4.38Å; V29-P31 HydrophobicContact CG1-CG 4Å; V29-P31 VanDerWaalsContact O-CD 3.25Å; V29-P31 WeakPolarHBondContact O-CD 3.41Å; P31-Y214 HydrophobicContact CB-CD1 4.23Å; P31-Y214 HydrophobicContact CB-CE1 3.75Å; P31-Y214 WeakPolarHBondContact CD-O 3.44Å; P31-Y214 HydrophobicContact CG-CD1 3.92Å; P31-Y214 HydrophobicContact CG-CE1 3.66Å; P31-Y214 HydrophobicContact CG-CE2 4.47Å; P31-Y214 HydrophobicContact CG-CG 4.44Å; P31-I216 HydrophobicContact CG-CG1 4.46Å | ||
| 32 | R | 98.8 | Very high | 98.6 | Very high | 131 Ų | 131 | 39.1 Ų | 39.1 | 49% | 0.494 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -154.4 | 157.3 | -175.8 | 66.5 | -179.3 | -177.3 | 178 | 1.6 | 111.6 | F30 S34 D37 V170 Y214 | F30-R32 VanDerWaalsContact C-N 3.29Å; F30-R32 PolarHBondContact O-N 3.32Å; R32-S34 PolarHBondContact O-N 2.89Å; R32-D37 WeakPolarHBondContact CG-OD2 3.4Å; R32-D37 IonicContact CZ-OD2 3.84Å; R32-D37 IonicContact NE-OD2 3.36Å; R32-D37 PolarHBondContact NE-OD2 2.95Å; R32-D37 IonicContact NH2-OD1 2.62Å; R32-D37 IonicContact NH2-OD2 2.83Å; R32-V170 VanDerWaalsContact C-CG2 3.49Å; R32-Y214 HydrophobicContact CG-CD1 4.28Å |
| 33 | E | 98.9 | Very high | 98.6 | Very high | 82 Ų | 82 | 36.6 Ų | 36.6 | 38% | 0.383 | 20% | 0.204 | S | C | . | . | trans | -68.2 | 129.4 | 169.5 | -174.1 | 175 | 110.8 | 0 | 0 | 110.6 | R64 K165 V170 | E33-R64 IonicContact OE2-CZ 2.74Å; E33-R64 IonicContact OE2-NE 2.91Å; E33-R64 PolarHBondContact OE2-NE 2.71Å; E33-R64 IonicContact OE2-NH2 3.68Å; E33-R64 PolarHBondContact OE2-NH2 3.43Å; E33-K165 HydrophobicContact CG-CD 4.31Å; E33-K165 HydrophobicContact CG-CG 3.69Å; E33-K165 WeakPolarHBondContact OE1-CE 3.31Å; E33-K165 IonicContact OE1-NZ 2.93Å; E33-V170 HydrophobicContact CB-CG2 3.96Å | ||
| 34 | S | 98.8 | Very high | 98.3 | Very high | 11 Ų | 11 | 45.1 Ų | 45.1 | 8% | 0.077 | 24% | 0.243 | C | C | . | . | trans | -157.6 | 169.1 | -179.9 | 76.7 | 0 | 0 | 0 | 0 | 111.4 | R32 T36 D37 Q154 S168 | R32-S34 PolarHBondContact O-N 2.89Å; S34-T36 PolarHBondContact OG-N 2.82Å; S34-D37 WeakPolarHBondContact CB-OD2 3.48Å; S34-D37 WeakPolarHBondContact OG-CB 3.19Å; S34-D37 PolarHBondContact OG-N 3.31Å; S34-D37 PolarHBondContact OG-OD2 2.93Å; S34-D37 VanDerWaalsContact OG-OD2 3.09Å; S34-Q154 PolarHBondContact O-NE2 3.21Å; S34-Q154 PolarHBondContact O-OE1 3.42Å; S34-S168 WeakPolarHBondContact O-CB 3.33Å; S34-S168 PolarHBondContact O-OG 3.37Å | ||
| 35 | V | 98.7 | Very high | 98.2 | Very high | 70 Ų | 70 | 43.5 Ų | 43.5 | 42% | 0.424 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -104.5 | 10.3 | 168.6 | 72.6 | 0 | 0 | 0 | 0 | 111.5 | F163 K165 | V35-F163 HydrophobicContact CG2-CB 3.81Å; V35-F163 WeakPolarHBondContact CG2-O 3.46Å; V35-F163 WeakPolarHBondContact O-CD2 3.42Å; V35-K165 HydrophobicContact CB-CB 4.2Å |
| 36 | T | 98.6 | Very high | 98.1 | Very high | 74 Ų | 74 | 48 Ų | 48 | 45% | 0.454 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -126.9 | -33.5 | -168 | 54 | 0 | 0 | 0 | 0 | 113.5 | S34 H38 | S34-T36 PolarHBondContact OG-N 2.82Å; T36-H38 PolarHBondContact O-N 2.72Å; T36-H38 PolarHBondContact O-ND1 2.88Å |
| 37 | D | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | trans | -82.2 | 112.2 | -169.4 | -52.6 | -25.2 | 0 | 0 | 0 | 108.3 | R32 S34 Q154 K212 Y214 V215 | R32-D37 WeakPolarHBondContact CG-OD2 3.4Å; R32-D37 IonicContact CZ-OD2 3.84Å; R32-D37 IonicContact NE-OD2 3.36Å; R32-D37 PolarHBondContact NE-OD2 2.95Å; R32-D37 IonicContact NH2-OD1 2.62Å; R32-D37 IonicContact NH2-OD2 2.83Å; S34-D37 WeakPolarHBondContact CB-OD2 3.48Å; S34-D37 WeakPolarHBondContact OG-CB 3.19Å; S34-D37 PolarHBondContact OG-N 3.31Å; S34-D37 PolarHBondContact OG-OD2 2.93Å; S34-D37 VanDerWaalsContact OG-OD2 3.09Å; D37-Q154 PolarHBondContact O-NE2 2.98Å; D37-Q154 VanDerWaalsContact O-NE2 3.08Å; D37-K212 WeakPolarHBondContact CA-O 3.37Å; D37-Y214 VanDerWaalsContact CG-N 3.33Å; D37-Y214 PolarHBondContact OD1-N 2.97Å; D37-V215 HydrophobicContact CB-CG2 4.32Å | ||
| 38 | H | 98.9 | Very high | 98 | Very high | 20 Ų | 20 | 55.1 Ų | 55.1 | 9% | 0.093 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 164.9 | -175.5 | 69.8 | -79.7 | 0 | 0 | 0 | 112.5 | T36 N40 V151 L152 Q154 F163 K212 | T36-H38 PolarHBondContact O-N 2.72Å; T36-H38 PolarHBondContact O-ND1 2.88Å; H38-N40 PolarHBondContact CD2-OD1 2.61Å; H38-V151 HydrophobicContact CB-CG1 3.91Å; H38-L152 VanDerWaalsContact CA-O 3.27Å; H38-L152 WeakPolarHBondContact CA-O 3.44Å; H38-L152 VanDerWaalsContact CB-O 3.32Å; H38-L152 WeakPolarHBondContact CB-O 3.36Å; H38-Q154 HydrophobicContact CB-CB 4.42Å; H38-Q154 HydrophobicContact CB-CG 3.76Å; H38-F163 AromaticContact CD2-CZ 3.92Å; H38-F163 AromaticContact CE1-CE2 3.61Å; H38-F163 AromaticContact CG-CE2 3.98Å; H38-F163 AromaticContact ND1-CE2 3.6Å; H38-F163 AromaticContact NE2-CZ 3.94Å; H38-K212 WeakPolarHBondContact CE1-CB 3.48Å; H38-K212 PolarHBondContact N-O 3.37Å; H38-K212 PolarHBondContact O-N 2.87Å; H38-K212 VanDerWaalsContact O-O 3.08Å |
| 39 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127.9 | 170.9 | -176.9 | 0 | 0 | 0 | 0 | 109 | F28 F30 L41 V151 L152 Y209 E210 I211 V215 | F28-V39 HydrophobicContact CD1-CG2 4.13Å; F28-V39 HydrophobicContact CD2-CG1 4.44Å; F28-V39 HydrophobicContact CD2-CG2 4.15Å; F28-V39 HydrophobicContact CE1-CG1 4.49Å; F28-V39 HydrophobicContact CE1-CG2 4.37Å; F28-V39 HydrophobicContact CE2-CG1 3.93Å; F28-V39 HydrophobicContact CE2-CG2 4.4Å; F28-V39 HydrophobicContact CG-CG2 4.04Å; F28-V39 HydrophobicContact CZ-CG1 3.97Å; F30-V39 HydrophobicContact CE1-CG2 4.08Å; F30-V39 HydrophobicContact CZ-CG2 3.88Å; V39-L41 HydrophobicContact CG1-CD2 3.93Å; V39-V151 WeakPolarHBondContact O-CA 3.3Å; V39-L152 HydrophobicContact CB-CB 4.34Å; V39-L152 PolarHBondContact N-O 3.39Å; V39-L152 PolarHBondContact O-N 2.62Å; V39-Y209 HydrophobicContact CG1-CD2 4.1Å; V39-Y209 HydrophobicContact CG1-CG 4.33Å; V39-E210 CarbonylContact C-O 3.57Å; V39-E210 WeakPolarHBondContact CA-O 3.27Å; V39-I211 HydrophobicContact CG2-CG1 4.06Å; V39-V215 HydrophobicContact CG2-CB 4.27Å; V39-V215 HydrophobicContact CG2-CG1 3.75Å; V39-V215 HydrophobicContact CG2-CG2 4.2Å |
| 40 | N | 98.8 | Very high | 98 | Very high | 21 Ų | 21 | 58.2 Ų | 58.2 | 11% | 0.112 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 125.3 | 167.4 | -62.7 | -42.1 | 0 | 0 | 0 | 108.9 | H38 I150 Y209 E210 | H38-N40 PolarHBondContact CD2-OD1 2.61Å; N40-I150 CarbonylContact C-O 3.57Å; N40-I150 WeakPolarHBondContact CA-O 3.25Å; N40-Y209 CarbonylContact O-C 3.55Å; N40-Y209 WeakPolarHBondContact O-CA 3.33Å; N40-Y209 WeakPolarHBondContact O-CB 3.35Å; N40-E210 HydrophobicContact CB-CB 4.28Å; N40-E210 PolarHBondContact N-O 3.25Å; N40-E210 PolarHBondContact O-N 2.82Å |
| 41 | L | 98.8 | Very high | 98 | Very high | 7 Ų | 7 | 60.4 Ų | 60.4 | 4% | 0.037 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 132.6 | 171 | -53.5 | -177.8 | 0 | 0 | 0 | 109.2 | V39 F69 I150 L152 L176 L202 L207 | V39-L41 HydrophobicContact CG1-CD2 3.93Å; L41-F69 HydrophobicContact CD1-CE2 4.29Å; L41-I150 HydrophobicContact CB-CB 4.03Å; L41-I150 HydrophobicContact CB-CG2 3.92Å; L41-I150 HydrophobicContact CD1-CG2 3.97Å; L41-I150 HydrophobicContact CG-CG2 4.21Å; L41-I150 PolarHBondContact N-O 2.83Å; L41-L152 HydrophobicContact CD1-CD1 3.99Å; L41-L152 HydrophobicContact CD1-CD2 4.15Å; L41-L152 HydrophobicContact CD1-CG 3.91Å; L41-L152 HydrophobicContact CD2-CD1 4.16Å; L41-L152 HydrophobicContact CD2-CG 4.49Å; L41-L152 HydrophobicContact CG-CD1 4.32Å; L41-L152 HydrophobicContact CG-CG 4.17Å; L41-L176 HydrophobicContact CD1-CD1 4.08Å; L41-L176 HydrophobicContact CD1-CD2 4.01Å; L41-L202 HydrophobicContact CB-CD1 4.39Å; L41-L202 HydrophobicContact CB-CD2 3.98Å; L41-L202 HydrophobicContact CD1-CD1 3.88Å; L41-L207 HydrophobicContact CD2-CD1 4.46Å; L41-L207 HydrophobicContact CD2-CD2 3.92Å; L41-L207 HydrophobicContact CD2-CG 4.43Å |
| 42 | I | 98.3 | Very high | 98 | Very high | 52 Ų | 52 | 58 Ų | 58 | 27% | 0.267 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 124.7 | -174.2 | -58.2 | 167.2 | 0 | 0 | 0 | 109 | F18 N208 E210 | F18-I42 HydrophobicContact CD1-CD1 4.18Å; F18-I42 HydrophobicContact CE1-CD1 4.02Å; I42-N208 HydrophobicContact CB-CB 4.1Å; I42-N208 WeakPolarHBondContact CG2-ND2 3.42Å; I42-N208 PolarHBondContact N-O 3.31Å; I42-E210 HydrophobicContact CD1-CG 3.99Å |
| 43 | T | 96.1 | Very high | 98 | Very high | 33 Ų | 33 | 51.8 Ų | 51.8 | 20% | 0.202 | 26% | 0.263 | C | S | . | . | trans | -137.6 | 148.1 | 176.1 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | L45 P148 I150 I201 | T43-L45 HydrophobicContact CG2-CB 3.92Å; T43-L45 PolarHBondContact O-N 3Å; T43-P148 HydrophobicContact CG2-CG 4.2Å; T43-I150 HydrophobicContact CG2-CD1 3.73Å; T43-I201 WeakPolarHBondContact CB-O 3.47Å; T43-I201 HydrophobicContact CG2-CG2 4.12Å; T43-I201 PolarHBondContact OG1-O 2.82Å | ||
| 44 | Q | 93.4 | Very high | 98 | Very high | 181 Ų | 181 | 47.9 Ų | 47.9 | 85% | 0.846 | 25% | 0.245 | S | C | * | . | trans | -89.7 | 54.8 | 176.4 | -65.9 | -175.2 | -5.9 | 0 | 0 | 110.9 | E46 | Q44-E46 PolarHBondContact O-N 3.05Š| ||
| 45 | L | 96.1 | Very high | 98 | Very high | 21 Ų | 21 | 47.4 Ų | 47.4 | 11% | 0.11 | 24% | 0.242 | C | C | . | . | trans | -85.9 | 92.1 | -179.2 | -175.6 | 64.2 | 0 | 0 | 0 | 110.6 | T43 K47 L49 Y71 A146 H147 | T43-L45 HydrophobicContact CG2-CB 3.92Å; T43-L45 PolarHBondContact O-N 3Å; L45-K47 WeakPolarHBondContact CD1-O 3.19Å; L45-L49 HydrophobicContact CD1-CD2 3.73Å; L45-L49 HydrophobicContact CD1-CG 4.2Å; L45-L49 HydrophobicContact CD2-CD1 3.75Å; L45-L49 HydrophobicContact CD2-CD2 4.21Å; L45-L49 HydrophobicContact CD2-CG 3.86Å; L45-Y71 HydrophobicContact CD2-CE2 4.14Å; L45-Y71 VanDerWaalsContact CD2-OH 3.25Å; L45-Y71 WeakPolarHBondContact CD2-OH 3.5Å; L45-A146 WeakPolarHBondContact O-CB 3.43Å; L45-H147 PolarHBondContact O-N 3.27Å | ||
| 46 | E | 95.9 | Very high | 98.1 | Very high | 139 Ų | 139 | 44.1 Ų | 44.1 | 65% | 0.65 | 22% | 0.222 | S | C | * | . | trans | -88.5 | -21.3 | -177.5 | -61.9 | -177 | 169.5 | 0 | 0 | 113.8 | Q44 A146 H147 | Q44-E46 PolarHBondContact O-N 3.05Å; E46-A146 VanDerWaalsContact C-CB 3.48Å; E46-A146 WeakPolarHBondContact O-CB 3.25Å; E46-H147 PolarHBondContact O-CE1 2.96Å; E46-H147 VanDerWaalsContact O-CE1 3.32Å | ||
| 47 | K | 97.5 | Very high | 98.1 | Very high | 165 Ų | 165 | 41.4 Ų | 41.4 | 72% | 0.717 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -111.7 | 138.1 | -176.3 | -62.9 | -175.9 | -173.6 | 177.7 | 0 | 111.3 | L45 A146 | L45-K47 WeakPolarHBondContact CD1-O 3.19Å; K47-A146 VanDerWaalsContact C-CB 3.47Å |
| 48 | P | 98.3 | Very high | 98.1 | Very high | 69 Ų | 69 | 41.4 Ų | 41.4 | 45% | 0.448 | 20% | 0.203 | S | C | . | . | trans | -55.3 | 142.2 | 174.6 | -26.4 | 35 | 0 | 0 | 0 | 112.1 | V144 | P48-V144 CarbonylContact C-O 3.51Å; P48-V144 WeakPolarHBondContact CA-O 3.42Å; P48-V144 WeakPolarHBondContact CB-O 3.47Å | ||
| 49 | L | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -84.4 | 126.1 | 178.7 | -60.6 | 168.6 | 0 | 0 | 0 | 110.1 | L45 F52 V144 M178 N180 I201 | L45-L49 HydrophobicContact CD1-CD2 3.73Å; L45-L49 HydrophobicContact CD1-CG 4.2Å; L45-L49 HydrophobicContact CD2-CD1 3.75Å; L45-L49 HydrophobicContact CD2-CD2 4.21Å; L45-L49 HydrophobicContact CD2-CG 3.86Å; L49-F52 HydrophobicContact CD1-CB 4.34Å; L49-V144 HydrophobicContact CB-CB 4.17Å; L49-V144 PolarHBondContact N-O 2.97Å; L49-V144 PolarHBondContact O-N 2.88Å; L49-M178 HydrophobicContact CD1-CE 3.84Å; L49-N180 HydrophobicContact CD2-CB 3.85Å; L49-I201 HydrophobicContact CD1-CD1 3.96Å; L49-I201 HydrophobicContact CD2-CD1 3.61Å; L49-I201 HydrophobicContact CG-CD1 4.45Å |
| 50 | Q | 98.8 | Very high | 98.1 | Very high | 86 Ų | 86 | 45 Ų | 45 | 40% | 0.402 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -85.7 | -35.1 | 165.3 | -58.6 | -54.4 | -40.1 | 0 | 0 | 110.8 | W117 S119 S143 | Q50-W117 VanDerWaalsContact O-CZ3 3.24Å; Q50-W117 WeakPolarHBondContact O-CZ3 3.29Å; Q50-S119 WeakPolarHBondContact O-CA 3.44Å; Q50-S119 WeakPolarHBondContact O-CB 3.48Å; Q50-S119 PolarHBondContact O-N 2.96Å; Q50-S119 PolarHBondContact OE1-OG 2.92Å; Q50-S143 PolarHBondContact NE2-OG 3.35Å; Q50-S143 PolarHBondContact OE1-OG 3.08Å |
| 51 | N | 98.6 | Very high | 98.1 | Very high | 48 Ų | 48 | 49.1 Ų | 49.1 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 150.4 | -176.6 | -53.7 | -32.5 | 0 | 0 | 0 | 108.6 | W117 E118 S119 N180 V182 | N51-W117 WeakPolarHBondContact CA-O 3.46Å; N51-E118 VanDerWaalsContact OD1-CG 3.31Å; N51-E118 WeakPolarHBondContact OD1-CG 3.24Å; N51-S119 PolarHBondContact OD1-N 2.89Å; N51-N180 CarbonylContact O-C 3.57Å; N51-N180 WeakPolarHBondContact O-CA 3.32Å; N51-V182 HydrophobicContact CB-CG2 4.34Å |
| 52 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 163.4 | 165.7 | 70.9 | -92.2 | 0 | 0 | 0 | 112.1 | L49 L54 L80 L92 I94 S116 W117 M178 W179 S181 | L49-F52 HydrophobicContact CD1-CB 4.34Å; F52-L54 HydrophobicContact CD2-CB 4.43Å; F52-L80 HydrophobicContact CD1-CD1 3.98Å; F52-L80 HydrophobicContact CD2-CD1 4.25Å; F52-L80 HydrophobicContact CE1-CD1 3.61Å; F52-L80 HydrophobicContact CE1-CG 4.17Å; F52-L80 HydrophobicContact CE2-CD1 3.95Å; F52-L80 HydrophobicContact CE2-CG 4.48Å; F52-L80 HydrophobicContact CG-CD1 4.29Å; F52-L80 HydrophobicContact CZ-CD1 3.61Å; F52-L80 HydrophobicContact CZ-CD2 4.46Å; F52-L80 HydrophobicContact CZ-CG 3.92Å; F52-L92 HydrophobicContact CZ-CD1 4.2Å; F52-I94 HydrophobicContact CE1-CD1 3.62Å; F52-I94 HydrophobicContact CZ-CD1 3.84Å; F52-S116 WeakPolarHBondContact O-CA 3.3Å; F52-S116 VanDerWaalsContact O-CB 3.3Å; F52-S116 WeakPolarHBondContact O-CB 3.24Å; F52-W117 HydrophobicContact CD1-CB 4.27Å; F52-W117 HydrophobicContact CD1-CE3 4.2Å; F52-W117 HydrophobicContact CE1-CB 3.59Å; F52-W117 HydrophobicContact CE1-CD2 4.39Å; F52-W117 HydrophobicContact CE1-CE3 4.01Å; F52-W117 HydrophobicContact CE1-CG 4.29Å; F52-W117 HydrophobicContact CZ-CB 3.75Å; F52-W117 PolarHBondContact N-O 3.21Å; F52-W117 PolarHBondContact O-N 2.89Å; F52-M178 HydrophobicContact CB-CE 4.01Å; F52-M178 HydrophobicContact CD2-CE 4.17Å; F52-M178 HydrophobicContact CG-CE 4.1Å; F52-W179 CarbonylContact C-O 3.41Å; F52-W179 WeakPolarHBondContact CA-O 3.45Å; F52-W179 VanDerWaalsContact CB-O 3.29Å; F52-W179 WeakPolarHBondContact CB-O 3.24Å; F52-S181 CarbonylContact C-O 3.56Å |
| 53 | T | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 137.5 | 160.4 | -55.8 | 0 | 0 | 0 | 0 | 108.2 | V115 S116 M178 W179 S181 V182 L183 | T53-V115 CarbonylContact C-O 3.48Å; T53-V115 WeakPolarHBondContact CA-O 3.44Å; T53-S116 WeakPolarHBondContact OG1-CB 3.46Å; T53-M178 CarbonylContact O-C 3.57Å; T53-M178 VanDerWaalsContact O-CA 3.29Å; T53-M178 WeakPolarHBondContact O-CA 3.39Å; T53-M178 WeakPolarHBondContact O-CG 3.13Å; T53-W179 HydrophobicContact CG2-CE3 4.26Å; T53-W179 PolarHBondContact N-O 2.87Å; T53-W179 PolarHBondContact O-N 2.93Å; T53-S181 WeakPolarHBondContact CB-O 3.24Å; T53-S181 PolarHBondContact N-O 3.48Å; T53-S181 PolarHBondContact OG1-O 3.48Å; T53-V182 WeakPolarHBondContact OG1-CA 3.13Å; T53-L183 HydrophobicContact CG2-CB 4.19Å; T53-L183 HydrophobicContact CG2-CD1 3.97Å; T53-L183 HydrophobicContact CG2-CG 3.77Å; T53-L183 PolarHBondContact OG1-N 3.22Å |
| 54 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 124.3 | 175.3 | 169.1 | 64.8 | 0 | 0 | 0 | 107.7 | F52 F56 F69 V82 C114 V115 L176 Y177 M178 | F52-L54 HydrophobicContact CD2-CB 4.43Å; L54-F56 HydrophobicContact CD1-CD1 4.07Å; L54-F56 HydrophobicContact CD2-CD1 4.22Å; L54-F56 HydrophobicContact CD2-CE1 3.85Å; L54-F56 HydrophobicContact CG-CD1 3.86Å; L54-F56 HydrophobicContact CG-CE1 3.92Å; L54-F69 HydrophobicContact CD1-CD2 4.22Å; L54-F69 HydrophobicContact CD1-CE2 4.08Å; L54-F69 HydrophobicContact CD2-CB 3.95Å; L54-F69 HydrophobicContact CD2-CD1 3.74Å; L54-F69 HydrophobicContact CD2-CD2 3.75Å; L54-F69 HydrophobicContact CD2-CE1 4.07Å; L54-F69 HydrophobicContact CD2-CE2 4.09Å; L54-F69 HydrophobicContact CD2-CG 3.55Å; L54-F69 HydrophobicContact CD2-CZ 4.23Å; L54-V82 HydrophobicContact CD2-CG2 3.87Å; L54-C114 CarbonylContact O-C 3.51Å; L54-C114 VanDerWaalsContact O-CA 3.22Å; L54-C114 WeakPolarHBondContact O-CA 3.34Å; L54-V115 HydrophobicContact CB-CG1 4.14Å; L54-V115 HydrophobicContact CD2-CG1 4.47Å; L54-V115 PolarHBondContact N-O 3.36Å; L54-V115 PolarHBondContact O-N 2.87Å; L54-L176 HydrophobicContact CD1-CD1 4.39Å; L54-L176 HydrophobicContact CD1-CD2 4.15Å; L54-L176 HydrophobicContact CD1-CG 4.07Å; L54-Y177 WeakPolarHBondContact CA-O 3.29Å; L54-M178 HydrophobicContact CB-CG 4.34Å; L54-M178 HydrophobicContact CD1-CB 4.14Å; L54-M178 HydrophobicContact CD1-CG 4.34Å |
| 55 | C | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 142.3 | 174.2 | -64.1 | 0 | 0 | 0 | 0 | 110.3 | I113 C114 L176 Y177 W179 A191 | C55-I113 CarbonylContact C-O 3.55Å; C55-I113 WeakPolarHBondContact CA-O 3.39Å; C55-C114 HydrophobicContact CB-CB 4.16Å; C55-C114 WeakPolarHBondContact CB-SG 3.3Å; C55-C114 WeakPolarHBondContact SG-CB 3.46Å; C55-C114 CovalentContact SG-SG 2.03Å; C55-C114 PolarHBondContact SG-SG 3.24Å; C55-L176 CarbonylContact O-C 3.21Å; C55-L176 VanDerWaalsContact O-CA 3.3Å; C55-L176 WeakPolarHBondContact O-CA 3.33Å; C55-Y177 PolarHBondContact N-O 3.46Å; C55-Y177 PolarHBondContact O-N 2.81Å; C55-W179 HydrophobicContact CB-CH2 4.36Å; C55-W179 HydrophobicContact CB-CZ3 3.95Å; C55-A191 HydrophobicContact CB-CB 4.48Å |
| 56 | F | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 163.3 | 171.7 | 55 | -85.9 | 0 | 0 | 0 | 111.3 | L54 A58 L68 V82 I113 D175 L176 | L54-F56 HydrophobicContact CD1-CD1 4.07Å; L54-F56 HydrophobicContact CD2-CD1 4.22Å; L54-F56 HydrophobicContact CD2-CE1 3.85Å; L54-F56 HydrophobicContact CG-CD1 3.86Å; L54-F56 HydrophobicContact CG-CE1 3.92Å; F56-A58 HydrophobicContact CD2-CB 4.45Å; F56-A58 HydrophobicContact CE2-CB 4.45Å; F56-L68 HydrophobicContact CE2-CB 3.93Å; F56-L68 HydrophobicContact CE2-CD1 4.36Å; F56-L68 HydrophobicContact CE2-CD2 3.95Å; F56-L68 HydrophobicContact CE2-CG 4.31Å; F56-L68 HydrophobicContact CZ-CB 3.75Å; F56-L68 HydrophobicContact CZ-CD1 4.31Å; F56-L68 HydrophobicContact CZ-CG 4.43Å; F56-V82 HydrophobicContact CZ-CG1 4.16Å; F56-I113 HydrophobicContact CE2-CB 4.35Å; F56-I113 HydrophobicContact CE2-CD1 3.81Å; F56-I113 HydrophobicContact CZ-CB 4.29Å; F56-I113 HydrophobicContact CZ-CD1 4.14Å; F56-I113 HydrophobicContact CZ-CG2 4.33Å; F56-I113 PolarHBondContact N-O 2.77Å; F56-I113 PolarHBondContact O-N 2.98Å; F56-D175 WeakPolarHBondContact CA-O 3.27Å; F56-L176 HydrophobicContact CB-CB 3.85Å; F56-L176 HydrophobicContact CB-CD1 4.13Å; F56-L176 HydrophobicContact CB-CG 3.98Å; F56-L176 HydrophobicContact CD1-CD1 4.45Å; F56-L176 HydrophobicContact CG-CD1 4.42Å |
| 57 | R | 98.9 | Very high | 98.7 | Very high | 17 Ų | 17 | 38.4 Ų | 38.4 | 6% | 0.064 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 144 | 167.4 | -64.3 | -177.3 | -168.9 | -82 | -6.2 | 110.4 | V111 H112 I173 G174 D175 Y192 W222 | R57-V111 CarbonylContact C-O 3.57Å; R57-V111 VanDerWaalsContact CA-O 3.3Å; R57-V111 WeakPolarHBondContact CA-O 3.01Å; R57-H112 HydrophobicContact CG-CB 4.32Å; R57-I173 WeakPolarHBondContact O-CA 3.48Å; R57-G174 PolarHBondContact N-O 2.89Å; R57-G174 PolarHBondContact O-N 2.91Å; R57-D175 VanDerWaalsContact CD-OD2 3.27Å; R57-D175 WeakPolarHBondContact CD-OD2 3.33Å; R57-D175 HydrophobicContact CG-CB 4.09Å; R57-D175 IonicContact CZ-OD2 3.85Å; R57-D175 IonicContact NE-OD2 2.79Å; R57-D175 PolarHBondContact NE-OD2 3.2Å; R57-Y192 PolarHBondContact NH2-O 2.78Å; R57-W222 HydrophobicContact CB-CH2 3.79Å; R57-W222 HydrophobicContact CB-CZ3 3.87Å |
| 58 | A | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 2% | 0.017 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 147.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F56 L68 V111 F169 E172 I173 | F56-A58 HydrophobicContact CD2-CB 4.45Å; F56-A58 HydrophobicContact CE2-CB 4.45Å; A58-L68 HydrophobicContact CB-CD2 4Å; A58-V111 HydrophobicContact CB-CG1 4.26Å; A58-V111 PolarHBondContact N-O 2.83Å; A58-V111 PolarHBondContact O-N 2.62Å; A58-F169 HydrophobicContact CB-CZ 4.46Å; A58-E172 CarbonylContact C-O 3.55Å; A58-E172 VanDerWaalsContact CA-O 3.24Å; A58-E172 WeakPolarHBondContact CA-O 3.39Å; A58-I173 HydrophobicContact CB-CG1 4.27Å |
| 59 | Y | 98.9 | Very high | 98.8 | Very high | 80 Ų | 80 | 27.4 Ų | 27.4 | 31% | 0.314 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 123.4 | 169.4 | -172.1 | -152.6 | 0 | 0 | 0 | 110.4 | P108 A109 P110 G171 E172 W222 | Y59-P108 HydrophobicContact CE2-CB 4.36Å; Y59-A109 VanDerWaalsContact CD2-C 3.49Å; Y59-P110 HydrophobicContact CD1-CG 4.2Å; Y59-P110 HydrophobicContact CD2-CB 4.35Å; Y59-P110 HydrophobicContact CD2-CG 3.84Å; Y59-P110 HydrophobicContact CE1-CG 4.34Å; Y59-P110 HydrophobicContact CE2-CG 4.02Å; Y59-P110 HydrophobicContact CG-CB 4.4Å; Y59-P110 HydrophobicContact CG-CG 3.95Å; Y59-G171 CarbonylContact O-C 3.54Å; Y59-G171 VanDerWaalsContact O-CA 3.29Å; Y59-G171 WeakPolarHBondContact O-CA 3.44Å; Y59-E172 PolarHBondContact N-O 3.15Å; Y59-E172 PolarHBondContact O-N 3.02Å; Y59-W222 HydrophobicContact CD1-CB 4.24Å; Y59-W222 AromaticContact CD1-CD1 3.96Å; Y59-W222 HydrophobicContact CD1-CD2 4.07Å; Y59-W222 AromaticContact CD1-CG 3.85Å; Y59-W222 HydrophobicContact CD1-CG 3.85Å; Y59-W222 HydrophobicContact CE1-CB 4.44Å; Y59-W222 HydrophobicContact CE1-CG 4.48Å; Y59-W222 HydrophobicContact CG-CD2 4.37Å |
| 60 | T | 98.9 | Very high | 98.8 | Very high | 15 Ų | 15 | 27.1 Ų | 27.1 | 9% | 0.092 | 14% | 0.141 | C | C | . | . | trans | -154.6 | 153.8 | -176.9 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | L62 Y66 F169 V170 | T60-L62 WeakPolarHBondContact OG1-CG 3.25Å; T60-L62 PolarHBondContact OG1-N 2.86Å; T60-L62 VanDerWaalsContact OG1-N 3.15Å; T60-Y66 HydrophobicContact CG2-CE1 4.22Å; T60-Y66 HydrophobicContact CG2-CE2 4.12Å; T60-Y66 VanDerWaalsContact CG2-OH 3.24Å; T60-Y66 WeakPolarHBondContact CG2-OH 3.33Å; T60-F169 HydrophobicContact CG2-CE2 3.85Å; T60-V170 VanDerWaalsContact CB-O 3.25Å; T60-V170 WeakPolarHBondContact CB-O 3.25Å; T60-V170 PolarHBondContact OG1-O 3.16Å | ||
| 61 | D | 98.6 | Very high | 98.8 | Very high | 109 Ų | 109 | 23 Ų | 23 | 58% | 0.583 | 12% | 0.122 | S | C | * | . | trans | -111.9 | 12.8 | 172.8 | 62.4 | -2.5 | 0 | 0 | 0 | 112.6 | S63 F107 P108 | D61-S63 PolarHBondContact O-N 2.83Å; D61-F107 VanDerWaalsContact O-CZ 3.27Å; D61-F107 WeakPolarHBondContact O-CZ 3.46Å; D61-P108 HydrophobicContact CB-CB 3.99Å; D61-P108 HydrophobicContact CB-CG 4.44Å | ||
| 62 | L | 98.7 | Very high | 98.8 | Very high | 24 Ų | 24 | 20.8 Ų | 20.8 | 13% | 0.126 | 11% | 0.11 | C | C | . | . | trans | -67.7 | 124.8 | 174.3 | -69.3 | -179.5 | 0 | 0 | 0 | 111.3 | T60 Y66 F107 V170 | T60-L62 WeakPolarHBondContact OG1-CG 3.25Å; T60-L62 PolarHBondContact OG1-N 2.86Å; T60-L62 VanDerWaalsContact OG1-N 3.15Å; L62-Y66 HydrophobicContact CB-CD1 3.81Å; L62-Y66 HydrophobicContact CB-CE1 3.84Å; L62-Y66 HydrophobicContact CD1-CD1 3.97Å; L62-Y66 HydrophobicContact CD1-CG 4.27Å; L62-F107 VanDerWaalsContact O-CE2 3.3Å; L62-F107 WeakPolarHBondContact O-CE2 3.14Å; L62-F107 WeakPolarHBondContact O-CZ 2.84Å; L62-V170 HydrophobicContact CD1-CB 3.86Å; L62-V170 HydrophobicContact CD1-CG2 4.08Å; L62-V170 HydrophobicContact CD2-CB 4.15Å; L62-V170 HydrophobicContact CD2-CG2 4.32Å; L62-V170 HydrophobicContact CG-CB 4.08Å | ||
| 63 | S | 98.1 | Very high | 98.8 | Very high | 82 Ų | 82 | 20.9 Ų | 20.9 | 57% | 0.573 | 11% | 0.11 | S | C | * | . | trans | -90.1 | -20.1 | 172.2 | -51.4 | 0 | 0 | 0 | 0 | 113.8 | D61 F107 | D61-S63 PolarHBondContact O-N 2.83Å; S63-F107 VanDerWaalsContact OG-CE1 3.3Å; S63-F107 WeakPolarHBondContact OG-CE1 3.27Å; S63-F107 VanDerWaalsContact OG-CZ 3.3Å; S63-F107 WeakPolarHBondContact OG-CZ 3.44Å | ||
| 64 | R | 98.6 | Very high | 98.6 | Very high | 64 Ų | 64 | 27.8 Ų | 27.8 | 24% | 0.242 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -73.8 | 172.2 | 174.9 | 65.8 | 167.9 | 174.8 | 69.6 | 0.8 | 111.2 | E33 Y66 S166 S168 | E33-R64 IonicContact OE2-CZ 2.74Å; E33-R64 IonicContact OE2-NE 2.91Å; E33-R64 PolarHBondContact OE2-NE 2.71Å; E33-R64 IonicContact OE2-NH2 3.68Å; E33-R64 PolarHBondContact OE2-NH2 3.43Å; R64-Y66 WeakPolarHBondContact O-CD1 3.41Å; R64-Y66 WeakPolarHBondContact O-CE1 3.34Å; R64-S166 WeakPolarHBondContact CD-O 3.32Å; R64-S166 PolarHBondContact NH1-O 3.25Å; R64-S168 PolarHBondContact NH1-O 2.92Å; R64-S168 PolarHBondContact NH2-O 2.75Å; R64-S168 PolarHBondContact NH2-OG 3.02Å |
| 65 | A | 98.8 | Very high | 98.3 | Very high | 27 Ų | 27 | 31.1 Ų | 31.1 | 22% | 0.223 | 18% | 0.177 | C | C | . | . | trans | -71.2 | 150.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y83 K84 E85 | A65-Y83 HydrophobicContact CB-CE1 3.73Å; A65-K84 WeakPolarHBondContact CA-O 3.43Å; A65-K84 WeakPolarHBondContact CB-O 3.37Å; A65-E85 WeakPolarHBondContact CB-O 3.42Å | ||
| 66 | Y | 98.9 | Very high | 97.9 | Very high | 10 Ų | 10 | 33.9 Ų | 33.9 | 4% | 0.039 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 153.4 | 179.3 | 51.5 | -95.2 | 0 | 0 | 0 | 112.7 | T60 L62 R64 L68 Y83 K84 Q167 F169 | T60-Y66 HydrophobicContact CG2-CE1 4.22Å; T60-Y66 HydrophobicContact CG2-CE2 4.12Å; T60-Y66 VanDerWaalsContact CG2-OH 3.24Å; T60-Y66 WeakPolarHBondContact CG2-OH 3.33Å; L62-Y66 HydrophobicContact CB-CD1 3.81Å; L62-Y66 HydrophobicContact CB-CE1 3.84Å; L62-Y66 HydrophobicContact CD1-CD1 3.97Å; L62-Y66 HydrophobicContact CD1-CG 4.27Å; R64-Y66 WeakPolarHBondContact O-CD1 3.41Å; R64-Y66 WeakPolarHBondContact O-CE1 3.34Å; Y66-L68 HydrophobicContact CD2-CD2 4.28Å; Y66-L68 HydrophobicContact CD2-CG 4.19Å; Y66-L68 HydrophobicContact CE2-CD1 4.46Å; Y66-L68 HydrophobicContact CE2-CD2 3.87Å; Y66-L68 HydrophobicContact CE2-CG 4.01Å; Y66-Y83 VanDerWaalsContact C-CE2 3.42Å; Y66-Y83 WeakPolarHBondContact O-CD2 3.49Å; Y66-K84 HydrophobicContact CD1-CB 4.37Å; Y66-K84 HydrophobicContact CD2-CB 3.79Å; Y66-K84 HydrophobicContact CE1-CB 3.99Å; Y66-K84 HydrophobicContact CE1-CG 3.98Å; Y66-K84 HydrophobicContact CE2-CB 3.38Å; Y66-K84 HydrophobicContact CE2-CG 3.96Å; Y66-K84 HydrophobicContact CG-CB 4.27Å; Y66-K84 VanDerWaalsContact CZ-CB 3.49Å; Y66-K84 PolarHBondContact N-O 3.05Å; Y66-K84 PolarHBondContact O-N 3Å; Y66-K84 WeakPolarHBondContact OH-CG 3.09Å; Y66-Q167 WeakPolarHBondContact CA-O 3.3Å; Y66-F169 AromaticContact CD2-CD2 3.78Å; Y66-F169 HydrophobicContact CD2-CD2 3.78Å; Y66-F169 HydrophobicContact CD2-CE2 4.48Å; Y66-F169 HydrophobicContact CE2-CD2 4.04Å; Y66-F169 HydrophobicContact CE2-CE2 4.29Å; Y66-F169 HydrophobicContact CG-CD2 4.48Å |
| 67 | S | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 134 | 171.8 | -179.1 | 0 | 0 | 0 | 0 | 111.1 | Q154 Q167 F169 | S67-Q154 PolarHBondContact OG-O 2.03Å; S67-Q167 PolarHBondContact N-O 2.86Å; S67-F169 WeakPolarHBondContact O-CB 3.32Å |
| 68 | L | 98.9 | Very high | 97.4 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -38.8 | 173.5 | -75.8 | 161.3 | 0 | 0 | 0 | 111.5 | F56 A58 Y66 V82 K84 Y90 I113 L152 F169 | F56-L68 HydrophobicContact CE2-CB 3.93Å; F56-L68 HydrophobicContact CE2-CD1 4.36Å; F56-L68 HydrophobicContact CE2-CD2 3.95Å; F56-L68 HydrophobicContact CE2-CG 4.31Å; F56-L68 HydrophobicContact CZ-CB 3.75Å; F56-L68 HydrophobicContact CZ-CD1 4.31Å; F56-L68 HydrophobicContact CZ-CG 4.43Å; A58-L68 HydrophobicContact CB-CD2 4Å; Y66-L68 HydrophobicContact CD2-CD2 4.28Å; Y66-L68 HydrophobicContact CD2-CG 4.19Å; Y66-L68 HydrophobicContact CE2-CD1 4.46Å; Y66-L68 HydrophobicContact CE2-CD2 3.87Å; Y66-L68 HydrophobicContact CE2-CG 4.01Å; L68-V82 HydrophobicContact CB-CB 4.3Å; L68-V82 HydrophobicContact CB-CG1 4.17Å; L68-V82 WeakPolarHBondContact CB-O 3.43Å; L68-V82 HydrophobicContact CD1-CG1 4.06Å; L68-V82 PolarHBondContact N-O 3.15Å; L68-K84 HydrophobicContact CD1-CB 4.34Å; L68-Y90 HydrophobicContact CD1-CD1 4.34Å; L68-Y90 HydrophobicContact CD1-CE1 4.34Å; L68-I113 HydrophobicContact CD1-CD1 3.8Å; L68-L152 WeakPolarHBondContact O-CD2 3.49Å; L68-F169 HydrophobicContact CD2-CD2 4.2Å; L68-F169 HydrophobicContact CD2-CE2 4.08Å |
| 69 | F | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 122.5 | -179.9 | -178.5 | -87.2 | 0 | 0 | 0 | 108.3 | L41 L54 Y71 L80 V81 V82 I150 L152 L176 M178 L202 | L41-F69 HydrophobicContact CD1-CE2 4.29Å; L54-F69 HydrophobicContact CD1-CD2 4.22Å; L54-F69 HydrophobicContact CD1-CE2 4.08Å; L54-F69 HydrophobicContact CD2-CB 3.95Å; L54-F69 HydrophobicContact CD2-CD1 3.74Å; L54-F69 HydrophobicContact CD2-CD2 3.75Å; L54-F69 HydrophobicContact CD2-CE1 4.07Å; L54-F69 HydrophobicContact CD2-CE2 4.09Å; L54-F69 HydrophobicContact CD2-CG 3.55Å; L54-F69 HydrophobicContact CD2-CZ 4.23Å; F69-Y71 HydrophobicContact CE1-CD2 4.3Å; F69-L80 HydrophobicContact CD1-CD2 3.73Å; F69-L80 HydrophobicContact CE1-CD2 3.74Å; F69-V81 WeakPolarHBondContact O-CA 3.43Å; F69-V82 HydrophobicContact CB-CB 4.12Å; F69-V82 HydrophobicContact CB-CG2 4.24Å; F69-V82 PolarHBondContact N-O 3.37Å; F69-V82 PolarHBondContact O-N 3.2Å; F69-I150 HydrophobicContact CD2-CG2 4.17Å; F69-I150 HydrophobicContact CE1-CG2 4.11Å; F69-I150 HydrophobicContact CE2-CG2 3.36Å; F69-I150 HydrophobicContact CZ-CD1 4.32Å; F69-I150 HydrophobicContact CZ-CG2 3.33Å; F69-L152 HydrophobicContact CD2-CD2 3.89Å; F69-L176 HydrophobicContact CD2-CD1 4.18Å; F69-L176 HydrophobicContact CE2-CD1 4.47Å; F69-M178 HydrophobicContact CZ-SD 4.13Å; F69-L202 HydrophobicContact CE2-CD1 4.08Å; F69-L202 HydrophobicContact CZ-CD1 4.34Å |
| 70 | S | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 125 | 177.9 | 179.4 | 0 | 0 | 0 | 0 | 110.1 | I150 V151 E155 Q156 | S70-I150 CarbonylContact O-C 3.6Å; S70-I150 WeakPolarHBondContact O-CA 3.27Å; S70-V151 PolarHBondContact N-O 2.85Å; S70-V151 PolarHBondContact O-N 2.86Å; S70-E155 PolarHBondContact OG-OE1 3.46Å; S70-Q156 VanDerWaalsContact C-NE2 3.34Å; S70-Q156 PolarHBondContact O-NE2 2.85Å; S70-Q156 WeakPolarHBondContact OG-CB 3.45Å; S70-Q156 WeakPolarHBondContact OG-CG 3.29Å; S70-Q156 PolarHBondContact OG-N 3.29Å; S70-Q156 PolarHBondContact OG-NE2 3.22Å |
| 71 | Y | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 116.5 | 177.4 | 173.1 | -60.2 | 0 | 0 | 0 | 108.1 | L45 F69 T73 E79 L80 V144 E145 P148 I150 | L45-Y71 HydrophobicContact CD2-CE2 4.14Å; L45-Y71 VanDerWaalsContact CD2-OH 3.25Å; L45-Y71 WeakPolarHBondContact CD2-OH 3.5Å; F69-Y71 HydrophobicContact CE1-CD2 4.3Å; Y71-T73 HydrophobicContact CD1-CG2 4.47Å; Y71-T73 HydrophobicContact CE1-CG2 3.76Å; Y71-E79 HydrophobicContact CD1-CB 4.2Å; Y71-E79 HydrophobicContact CD1-CG 4.21Å; Y71-E79 HydrophobicContact CE1-CG 4.07Å; Y71-E79 PolarHBondContact O-N 3.32Å; Y71-L80 WeakPolarHBondContact CA-O 3.42Å; Y71-L80 VanDerWaalsContact CB-O 3.26Å; Y71-L80 WeakPolarHBondContact CB-O 3.36Å; Y71-L80 HydrophobicContact CD1-CB 4.08Å; Y71-L80 HydrophobicContact CG-CB 4.09Å; Y71-L80 PolarHBondContact N-O 3.21Å; Y71-L80 PolarHBondContact O-N 3Å; Y71-L80 VanDerWaalsContact O-N 3.1Å; Y71-V144 HydrophobicContact CE1-CG1 3.92Å; Y71-E145 WeakPolarHBondContact CE1-O 3.14Å; Y71-E145 PolarHBondContact OH-O 2.9Å; Y71-P148 HydrophobicContact CD1-CB 3.89Å; Y71-P148 HydrophobicContact CD2-CB 3.64Å; Y71-P148 HydrophobicContact CD2-CG 4.01Å; Y71-P148 HydrophobicContact CE1-CB 3.58Å; Y71-P148 HydrophobicContact CE1-CG 4.36Å; Y71-P148 HydrophobicContact CE2-CB 3.32Å; Y71-P148 HydrophobicContact CE2-CG 3.36Å; Y71-P148 HydrophobicContact CG-CB 3.89Å; Y71-I150 HydrophobicContact CD2-CD1 3.78Å; Y71-I150 HydrophobicContact CD2-CG1 3.64Å; Y71-I150 HydrophobicContact CE2-CD1 4.07Å; Y71-I150 HydrophobicContact CE2-CG1 4.22Å; Y71-I150 HydrophobicContact CG-CG1 4.32Å |
| 72 | N | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 150.5 | 176.5 | -84 | 3.5 | 0 | 0 | 0 | 110.8 | N78 P148 K149 Q156 S158 Y159 | N72-N78 PolarHBondContact OD1-N 2.63Å; N72-P148 CarbonylContact O-C 3.49Å; N72-P148 WeakPolarHBondContact O-CA 3.49Å; N72-K149 PolarHBondContact N-O 2.9Å; N72-K149 VanDerWaalsContact N-O 3.08Å; N72-K149 PolarHBondContact O-N 3.15Å; N72-Q156 HydrophobicContact CB-CB 4.42Å; N72-Q156 WeakPolarHBondContact ND2-CB 3.48Å; N72-Q156 PolarHBondContact ND2-O 2.9Å; N72-S158 PolarHBondContact ND2-O 3.06Å; N72-Y159 WeakPolarHBondContact O-CE2 3.21Å |
| 73 | T | 97.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 168.9 | 171.6 | 58.7 | 0 | 0 | 0 | 0 | 110.2 | Y71 G75 K76 E79 E145 A146 P148 | Y71-T73 HydrophobicContact CD1-CG2 4.47Å; Y71-T73 HydrophobicContact CE1-CG2 3.76Å; T73-G75 PolarHBondContact O-N 3.29Å; T73-K76 PolarHBondContact N-O 2.94Å; T73-K76 PolarHBondContact O-N 3.26Å; T73-E79 HydrophobicContact CG2-CG 4.19Å; T73-E145 WeakPolarHBondContact CB-OE2 3.32Å; T73-E145 HydrophobicContact CG2-CB 3.65Å; T73-E145 WeakPolarHBondContact CG2-O 3.34Å; T73-E145 PolarHBondContact OG1-OE2 2.63Å; T73-A146 WeakPolarHBondContact CG2-O 3.36Å; T73-P148 HydrophobicContact CG2-CB 4.48Å |
| 74 | Q | 95.3 | Very high | 97.5 | Very high | 146 Ų | 146 | 22.8 Ų | 22.8 | 68% | 0.682 | 13% | 0.128 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | 116.9 | -176.9 | -174.7 | 68.1 | 4.9 | 0 | 0 | 110.4 | K76 Y159 | Q74-K76 VanDerWaalsContact C-N 3.32Å; Q74-K76 PolarHBondContact O-N 3.21Å; Q74-Y159 VanDerWaalsContact OE1-CD1 3.23Å |
| 75 | G | 92.3 | Very high | 97.5 | Very high | 70 Ų | 70 | 21.5 Ų | 21.5 | 72% | 0.722 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | 1.3 | -180 | 0 | 0 | 0 | 0 | 0 | 115.6 | T73 | T73-G75 PolarHBondContact O-N 3.29Š|
| 76 | K | 91.7 | Very high | 97.5 | Very high | 59 Ų | 59 | 26.6 Ų | 26.6 | 26% | 0.257 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 107.7 | 176.8 | -64.3 | -168.5 | 176.5 | 174.2 | 0 | 112.1 | T73 Q74 E79 Y142 E145 | T73-K76 PolarHBondContact N-O 2.94Å; T73-K76 PolarHBondContact O-N 3.26Å; Q74-K76 VanDerWaalsContact C-N 3.32Å; Q74-K76 PolarHBondContact O-N 3.21Å; K76-E79 HydrophobicContact CB-CB 4.46Å; K76-E79 WeakPolarHBondContact CD-OE2 3.35Å; K76-Y142 PolarHBondContact NZ-OH 2.93Å; K76-E145 HydrophobicContact CD-CG 4.37Å; K76-E145 WeakPolarHBondContact CD-OE2 3.35Å; K76-E145 WeakPolarHBondContact CE-OE1 3.38Å; K76-E145 VanDerWaalsContact NZ-CD 3.25Å; K76-E145 IonicContact NZ-OE1 2.76Å; K76-E145 PolarHBondContact NZ-OE1 2.72Å; K76-E145 IonicContact NZ-OE2 2.92Å |
| 77 | D | 92.1 | Very high | 97.4 | Very high | 39 Ų | 39 | 28.9 Ų | 28.9 | 21% | 0.209 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 155.9 | 159.9 | 62.6 | 53 | 0 | 0 | 0 | 111.3 | E79 R96 | D77-E79 PolarHBondContact O-N 2.87Å; D77-R96 VanDerWaalsContact CG-CZ 3.41Å; D77-R96 VanDerWaalsContact O-CG 3.31Å; D77-R96 WeakPolarHBondContact O-CG 3.35Å; D77-R96 WeakPolarHBondContact OD1-CD 3.33Å; D77-R96 WeakPolarHBondContact OD1-CG 3.47Å; D77-R96 IonicContact OD1-CZ 3.05Å; D77-R96 IonicContact OD1-NE 3.42Å; D77-R96 PolarHBondContact OD1-NE 3.04Å; D77-R96 IonicContact OD1-NH1 3.72Å; D77-R96 IonicContact OD1-NH2 2.67Å; D77-R96 PolarHBondContact OD1-NH2 3.46Å; D77-R96 IonicContact OD2-CZ 3.15Å; D77-R96 IonicContact OD2-NE 2.87Å; D77-R96 IonicContact OD2-NH1 3.59Å; D77-R96 IonicContact OD2-NH2 2.98Å; D77-R96 PolarHBondContact OD2-NH2 2.87Å |
| 78 | N | 95.9 | Very high | 97.4 | Very high | 30 Ų | 30 | 29.1 Ų | 29.1 | 16% | 0.16 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 51.7 | 40 | 175.1 | -61.2 | -61.4 | 0 | 0 | 0 | 113.8 | N72 V81 Y93 G95 R96 | N72-N78 PolarHBondContact OD1-N 2.63Å; N78-V81 HydrophobicContact CB-CG2 4.26Å; N78-Y93 HydrophobicContact CB-CD1 4.43Å; N78-G95 PolarHBondContact O-N 2.76Å; N78-R96 HydrophobicContact CB-CG 4.21Å; N78-R96 PolarHBondContact O-N 3Å |
| 79 | E | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | -41.8 | -178.6 | -177.4 | 61 | -170.5 | 0 | 0 | 111.1 | Y71 T73 K76 D77 I94 G95 Y142 V144 E145 | Y71-E79 HydrophobicContact CD1-CB 4.2Å; Y71-E79 HydrophobicContact CD1-CG 4.21Å; Y71-E79 HydrophobicContact CE1-CG 4.07Å; Y71-E79 PolarHBondContact O-N 3.32Å; T73-E79 HydrophobicContact CG2-CG 4.19Å; K76-E79 HydrophobicContact CB-CB 4.46Å; K76-E79 WeakPolarHBondContact CD-OE2 3.35Å; D77-E79 PolarHBondContact O-N 2.87Å; E79-I94 WeakPolarHBondContact O-CA 3.48Å; E79-G95 PolarHBondContact O-N 3.16Å; E79-Y142 VanDerWaalsContact CD-OH 3.22Å; E79-Y142 VanDerWaalsContact OE1-CE1 3.25Å; E79-Y142 WeakPolarHBondContact OE1-CE1 3.27Å; E79-Y142 PolarHBondContact OE1-OH 2.97Å; E79-Y142 PolarHBondContact OE2-OH 2.9Å; E79-V144 HydrophobicContact CG-CG1 3.98Å; E79-V144 WeakPolarHBondContact OE1-CA 3.38Å; E79-E145 HydrophobicContact CG-CB 4.33Å; E79-E145 PolarHBondContact OE1-N 2.87Å |
| 80 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 119.6 | 163.8 | -178.1 | 178.9 | 0 | 0 | 0 | 108.6 | F52 F69 Y71 Y93 I94 V144 M178 | F52-L80 HydrophobicContact CD1-CD1 3.98Å; F52-L80 HydrophobicContact CD2-CD1 4.25Å; F52-L80 HydrophobicContact CE1-CD1 3.61Å; F52-L80 HydrophobicContact CE1-CG 4.17Å; F52-L80 HydrophobicContact CE2-CD1 3.95Å; F52-L80 HydrophobicContact CE2-CG 4.48Å; F52-L80 HydrophobicContact CG-CD1 4.29Å; F52-L80 HydrophobicContact CZ-CD1 3.61Å; F52-L80 HydrophobicContact CZ-CD2 4.46Å; F52-L80 HydrophobicContact CZ-CG 3.92Å; F69-L80 HydrophobicContact CD1-CD2 3.73Å; F69-L80 HydrophobicContact CE1-CD2 3.74Å; Y71-L80 WeakPolarHBondContact CA-O 3.42Å; Y71-L80 VanDerWaalsContact CB-O 3.26Å; Y71-L80 WeakPolarHBondContact CB-O 3.36Å; Y71-L80 HydrophobicContact CD1-CB 4.08Å; Y71-L80 HydrophobicContact CG-CB 4.09Å; Y71-L80 PolarHBondContact N-O 3.21Å; Y71-L80 PolarHBondContact O-N 3Å; Y71-L80 VanDerWaalsContact O-N 3.1Å; L80-Y93 WeakPolarHBondContact CA-O 3.36Å; L80-I94 HydrophobicContact CB-CD1 4.46Å; L80-I94 HydrophobicContact CG-CD1 4.14Å; L80-V144 HydrophobicContact CB-CG1 4.19Å; L80-V144 HydrophobicContact CD1-CG1 4.49Å; L80-M178 HydrophobicContact CD1-CE 3.88Å |
| 81 | V | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 132.5 | 178.2 | -175.7 | 0 | 0 | 0 | 0 | 111.1 | F69 N78 Y83 L92 Y93 | F69-V81 WeakPolarHBondContact O-CA 3.43Å; N78-V81 HydrophobicContact CB-CG2 4.26Å; V81-Y83 HydrophobicContact CG1-CD2 4.36Å; V81-L92 WeakPolarHBondContact O-CA 3.41Å; V81-Y93 HydrophobicContact CB-CD2 3.93Å; V81-Y93 HydrophobicContact CB-CG 4.27Å; V81-Y93 HydrophobicContact CG1-CD2 4.32Å; V81-Y93 PolarHBondContact N-O 3.37Å; V81-Y93 VanDerWaalsContact N-O 3.12Å; V81-Y93 PolarHBondContact O-N 2.95Å |
| 82 | V | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 118.6 | 165 | -174 | 0 | 0 | 0 | 0 | 107.9 | L54 F56 L68 F69 L92 V115 F126 | L54-V82 HydrophobicContact CD2-CG2 3.87Å; F56-V82 HydrophobicContact CZ-CG1 4.16Å; L68-V82 HydrophobicContact CB-CB 4.3Å; L68-V82 HydrophobicContact CB-CG1 4.17Å; L68-V82 WeakPolarHBondContact CB-O 3.43Å; L68-V82 HydrophobicContact CD1-CG1 4.06Å; L68-V82 PolarHBondContact N-O 3.15Å; F69-V82 HydrophobicContact CB-CB 4.12Å; F69-V82 HydrophobicContact CB-CG2 4.24Å; F69-V82 PolarHBondContact N-O 3.37Å; F69-V82 PolarHBondContact O-N 3.2Å; V82-L92 HydrophobicContact CG2-CD1 4.46Å; V82-V115 HydrophobicContact CG2-CG1 3.7Å; V82-F126 HydrophobicContact CG1-CE1 4.13Å; V82-F126 HydrophobicContact CG1-CZ 4.13Å |
| 83 | Y | 98.9 | Very high | 97.4 | Very high | 17 Ų | 17 | 31.4 Ų | 31.4 | 7% | 0.067 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 136.6 | -170.6 | -160.2 | -101.5 | 0 | 0 | 0 | 110.6 | A65 Y66 V81 E85 S91 Y93 E155 Q167 | A65-Y83 HydrophobicContact CB-CE1 3.73Å; Y66-Y83 VanDerWaalsContact C-CE2 3.42Å; Y66-Y83 WeakPolarHBondContact O-CD2 3.49Å; V81-Y83 HydrophobicContact CG1-CD2 4.36Å; Y83-E85 HydrophobicContact CD1-CG 4.48Å; Y83-S91 PolarHBondContact N-O 3.38Å; Y83-S91 PolarHBondContact O-N 3.03Å; Y83-Y93 HydrophobicContact CG-CE2 4.37Å; Y83-E155 HydrophobicContact CD2-CG 4.33Å; Y83-E155 HydrophobicContact CE2-CG 4.04Å; Y83-Q167 HydrophobicContact CE2-CB 4.32Å; Y83-Q167 WeakPolarHBondContact OH-CG 3.11Å; Y83-Q167 PolarHBondContact OH-NE2 3.22Å |
| 84 | K | 98.8 | Very high | 97.5 | Very high | 8 Ų | 8 | 31.3 Ų | 31.3 | 4% | 0.035 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 114 | 171.1 | -167.8 | 78.4 | 173.6 | -97.4 | 0 | 108.5 | A65 Y66 L68 R86 D89 Y90 E105 | A65-K84 WeakPolarHBondContact CA-O 3.43Å; A65-K84 WeakPolarHBondContact CB-O 3.37Å; Y66-K84 HydrophobicContact CD1-CB 4.37Å; Y66-K84 HydrophobicContact CD2-CB 3.79Å; Y66-K84 HydrophobicContact CE1-CB 3.99Å; Y66-K84 HydrophobicContact CE1-CG 3.98Å; Y66-K84 HydrophobicContact CE2-CB 3.38Å; Y66-K84 HydrophobicContact CE2-CG 3.96Å; Y66-K84 HydrophobicContact CG-CB 4.27Å; Y66-K84 VanDerWaalsContact CZ-CB 3.49Å; Y66-K84 PolarHBondContact N-O 3.05Å; Y66-K84 PolarHBondContact O-N 3Å; Y66-K84 WeakPolarHBondContact OH-CG 3.09Å; L68-K84 HydrophobicContact CD1-CB 4.34Å; K84-R86 WeakPolarHBondContact CE-O 3.14Å; K84-D89 WeakPolarHBondContact CD-O 3.22Å; K84-Y90 HydrophobicContact CD-CD1 3.64Å; K84-Y90 HydrophobicContact CD-CD2 4.34Å; K84-Y90 HydrophobicContact CD-CE1 3.43Å; K84-Y90 VanDerWaalsContact CD-CE1 3.43Å; K84-Y90 HydrophobicContact CD-CE2 4.14Å; K84-Y90 HydrophobicContact CD-CG 4.1Å; K84-Y90 VanDerWaalsContact CE-CZ 3.49Å; K84-Y90 VanDerWaalsContact NZ-CZ 3.26Å; K84-Y90 PolarHBondContact NZ-OH 3.25Å; K84-E105 VanDerWaalsContact CE-OE1 3.26Å; K84-E105 WeakPolarHBondContact CE-OE1 3.26Å; K84-E105 IonicContact NZ-OE1 3.85Å; K84-E105 PolarHBondContact NZ-OE1 3.35Å; K84-E105 IonicContact NZ-OE2 3.63Å; K84-E105 PolarHBondContact NZ-OE2 3.08Å |
| 85 | E | 98.6 | Very high | 97.6 | Very high | 38 Ų | 38 | 24.8 Ų | 24.8 | 18% | 0.178 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | -41.2 | -179.2 | -58.8 | -74.9 | -172.4 | 0 | 0 | 110.9 | A65 Y83 D89 S91 R98 T100 | A65-E85 WeakPolarHBondContact CB-O 3.42Å; Y83-E85 HydrophobicContact CD1-CG 4.48Å; E85-D89 HydrophobicContact CB-CB 4.11Å; E85-D89 PolarHBondContact N-O 2.54Å; E85-S91 WeakPolarHBondContact CG-OG 3.38Å; E85-S91 WeakPolarHBondContact OE1-CB 3.35Å; E85-S91 PolarHBondContact OE1-OG 2.97Å; E85-R98 WeakPolarHBondContact OE1-CD 3.25Å; E85-R98 IonicContact OE1-CZ 3.53Å; E85-R98 IonicContact OE1-NE 3.59Å; E85-R98 IonicContact OE1-NH1 3.78Å; E85-R98 PolarHBondContact OE1-NH1 3.04Å; E85-T100 HydrophobicContact CG-CG2 4.38Å |
| 86 | R | 98.4 | Very high | 97.9 | Very high | 133 Ų | 133 | 28.2 Ų | 28.2 | 50% | 0.502 | 13% | 0.128 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -170 | 176.5 | 174.8 | 63.5 | -171.5 | 97.6 | 78.4 | 8.9 | 108.9 | K84 G88 D89 | K84-R86 WeakPolarHBondContact CE-O 3.14Å; R86-G88 PolarHBondContact O-N 2.89Å; R86-D89 HydrophobicContact CG-CB 4Å; R86-D89 IonicContact CZ-OD2 2.71Å; R86-D89 IonicContact NH1-OD1 3.99Å; R86-D89 IonicContact NH1-OD2 2.62Å; R86-D89 PolarHBondContact NH1-OD2 2.9Å; R86-D89 PolarHBondContact O-N 3.12Å |
| 87 | V | 98.3 | Very high | 98.2 | Very high | 58 Ų | 58 | 30 Ų | 30 | 35% | 0.352 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | 127.1 | 172.6 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | D89 E105 F107 | V87-D89 VanDerWaalsContact C-N 3.31Å; V87-D89 PolarHBondContact O-N 2.83Å; V87-E105 WeakPolarHBondContact CA-OE1 3.47Å; V87-E105 HydrophobicContact CG1-CG 3.88Å; V87-F107 HydrophobicContact CG1-CB 3.84Å; V87-F107 HydrophobicContact CG1-CD2 4.43Å; V87-F107 HydrophobicContact CG1-CG 4.25Å; V87-F107 HydrophobicContact CG2-CB 4.13Å; V87-F107 HydrophobicContact CG2-CD1 4.09Å; V87-F107 HydrophobicContact CG2-CD2 3.49Å; V87-F107 VanDerWaalsContact CG2-CD2 3.49Å; V87-F107 HydrophobicContact CG2-CE1 4.4Å; V87-F107 HydrophobicContact CG2-CE2 3.85Å; V87-F107 HydrophobicContact CG2-CG 3.61Å; V87-F107 HydrophobicContact CG2-CZ 4.29Å |
| 88 | G | 98.3 | Very high | 98.5 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 6% | 0.062 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -6.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | R86 K102 V103 E105 | R86-G88 PolarHBondContact O-N 2.89Å; G88-K102 CarbonylContact O-C 3.57Å; G88-K102 VanDerWaalsContact O-CA 3.25Å; G88-K102 WeakPolarHBondContact O-CA 3.39Å; G88-V103 VanDerWaalsContact CA-O 3.23Å; G88-V103 WeakPolarHBondContact CA-O 3.45Å; G88-V103 PolarHBondContact O-N 3.1Å; G88-E105 VanDerWaalsContact N-CD 3.3Å; G88-E105 PolarHBondContact N-OE1 3.38Å |
| 89 | D | 98.8 | Very high | 98.7 | Very high | 13 Ų | 13 | 33.8 Ų | 33.8 | 7% | 0.07 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 113.4 | -176.3 | -82.9 | 42.1 | 0 | 0 | 0 | 112.2 | K84 E85 R86 V87 T100 F101 K102 | K84-D89 WeakPolarHBondContact CD-O 3.22Å; E85-D89 HydrophobicContact CB-CB 4.11Å; E85-D89 PolarHBondContact N-O 2.54Å; R86-D89 HydrophobicContact CG-CB 4Å; R86-D89 IonicContact CZ-OD2 2.71Å; R86-D89 IonicContact NH1-OD1 3.99Å; R86-D89 IonicContact NH1-OD2 2.62Å; R86-D89 PolarHBondContact NH1-OD2 2.9Å; R86-D89 PolarHBondContact O-N 3.12Å; V87-D89 VanDerWaalsContact C-N 3.31Å; V87-D89 PolarHBondContact O-N 2.83Å; D89-T100 HydrophobicContact CB-CG2 4.19Å; D89-F101 WeakPolarHBondContact CA-O 3.14Å; D89-K102 IonicContact OD1-NZ 3.29Å; D89-K102 PolarHBondContact OD1-NZ 2.87Å; D89-K102 IonicContact OD2-NZ 2.85Å; D89-K102 PolarHBondContact OD2-NZ 2.84Å |
| 90 | Y | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 133.3 | 178.2 | -63.7 | -95.8 | 0 | 0 | 0 | 110.3 | L68 K84 T100 F101 V103 E105 I113 F126 I128 | L68-Y90 HydrophobicContact CD1-CD1 4.34Å; L68-Y90 HydrophobicContact CD1-CE1 4.34Å; K84-Y90 HydrophobicContact CD-CD1 3.64Å; K84-Y90 HydrophobicContact CD-CD2 4.34Å; K84-Y90 HydrophobicContact CD-CE1 3.43Å; K84-Y90 VanDerWaalsContact CD-CE1 3.43Å; K84-Y90 HydrophobicContact CD-CE2 4.14Å; K84-Y90 HydrophobicContact CD-CG 4.1Å; K84-Y90 VanDerWaalsContact CE-CZ 3.49Å; K84-Y90 VanDerWaalsContact NZ-CZ 3.26Å; K84-Y90 PolarHBondContact NZ-OH 3.25Å; Y90-T100 CarbonylContact O-C 3.57Å; Y90-T100 WeakPolarHBondContact O-CA 3.47Å; Y90-F101 PolarHBondContact N-O 3.05Å; Y90-F101 PolarHBondContact O-N 2.88Å; Y90-V103 HydrophobicContact CD2-CG1 4.07Å; Y90-V103 HydrophobicContact CE2-CG1 3.64Å; Y90-E105 VanDerWaalsContact CE2-OE2 3.26Å; Y90-E105 WeakPolarHBondContact CE2-OE2 3.4Å; Y90-E105 PolarHBondContact OH-OE2 2.8Å; Y90-I113 HydrophobicContact CD1-CD1 4.25Å; Y90-I113 HydrophobicContact CE1-CD1 3.58Å; Y90-I113 HydrophobicContact CE1-CG1 4.16Å; Y90-F126 HydrophobicContact CD1-CE1 4.39Å; Y90-F126 HydrophobicContact CG-CE1 4.35Å; Y90-I128 HydrophobicContact CD1-CD1 4.31Å; Y90-I128 HydrophobicContact CD2-CD1 4.05Å; Y90-I128 HydrophobicContact CD2-CG1 4.41Å; Y90-I128 HydrophobicContact CE1-CD1 4.1Å; Y90-I128 HydrophobicContact CE2-CD1 3.84Å; Y90-I128 HydrophobicContact CE2-CG1 4.21Å; Y90-I128 HydrophobicContact CG-CD1 4.28Å |
| 91 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 141.1 | 178.3 | -72.7 | 0 | 0 | 0 | 0 | 111 | Y83 E85 V99 T100 | Y83-S91 PolarHBondContact N-O 3.38Å; Y83-S91 PolarHBondContact O-N 3.03Å; E85-S91 WeakPolarHBondContact CG-OG 3.38Å; E85-S91 WeakPolarHBondContact OE1-CB 3.35Å; E85-S91 PolarHBondContact OE1-OG 2.97Å; S91-V99 VanDerWaalsContact CA-O 3.29Å; S91-V99 WeakPolarHBondContact CA-O 3.25Å; S91-T100 PolarHBondContact OG-OG1 3.36Å |
| 92 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 129.5 | 164.8 | 174.7 | 70 | 0 | 0 | 0 | 108.4 | F52 V81 V82 I94 R98 V99 V115 W117 A124 F126 L138 | F52-L92 HydrophobicContact CZ-CD1 4.2Å; V81-L92 WeakPolarHBondContact O-CA 3.41Å; V82-L92 HydrophobicContact CG2-CD1 4.46Å; L92-I94 HydrophobicContact CD1-CD1 4.15Å; L92-I94 HydrophobicContact CD2-CD1 4.24Å; L92-I94 HydrophobicContact CD2-CG1 4.03Å; L92-I94 HydrophobicContact CG-CD1 4.24Å; L92-I94 HydrophobicContact CG-CG1 4.09Å; L92-R98 WeakPolarHBondContact O-CA 3.31Å; L92-V99 HydrophobicContact CB-CG2 4.34Å; L92-V99 PolarHBondContact N-O 3.33Å; L92-V99 PolarHBondContact O-N 3.14Å; L92-V115 HydrophobicContact CB-CG2 4.4Å; L92-V115 HydrophobicContact CD1-CG2 4.17Å; L92-V115 HydrophobicContact CD2-CG2 3.89Å; L92-V115 HydrophobicContact CG-CG2 4.38Å; L92-W117 HydrophobicContact CD2-CB 4.18Å; L92-A124 HydrophobicContact CD2-CB 3.63Å; L92-F126 HydrophobicContact CB-CE2 3.76Å; L92-F126 HydrophobicContact CB-CZ 4.24Å; L92-L138 HydrophobicContact CD2-CD2 4.41Å |
| 93 | Y | 98.9 | Very high | 98.6 | Very high | 37 Ų | 37 | 44 Ų | 44 | 15% | 0.145 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 137.4 | 166.8 | -63.1 | -106.7 | 0 | 0 | 0 | 109.8 | N78 L80 V81 Y83 Q97 R98 | N78-Y93 HydrophobicContact CB-CD1 4.43Å; L80-Y93 WeakPolarHBondContact CA-O 3.36Å; V81-Y93 HydrophobicContact CB-CD2 3.93Å; V81-Y93 HydrophobicContact CB-CG 4.27Å; V81-Y93 HydrophobicContact CG1-CD2 4.32Å; V81-Y93 PolarHBondContact N-O 3.37Å; V81-Y93 VanDerWaalsContact N-O 3.12Å; V81-Y93 PolarHBondContact O-N 2.95Å; Y83-Y93 HydrophobicContact CG-CE2 4.37Å; Y93-Q97 CarbonylContact C-O 3.58Å; Y93-Q97 WeakPolarHBondContact CA-O 3.47Å; Y93-R98 HydrophobicContact CD1-CB 3.75Å; Y93-R98 HydrophobicContact CD1-CG 4.28Å; Y93-R98 HydrophobicContact CD2-CG 4.35Å; Y93-R98 HydrophobicContact CE1-CB 3.74Å; Y93-R98 HydrophobicContact CE1-CG 4.06Å; Y93-R98 HydrophobicContact CE2-CG 4.14Å; Y93-R98 HydrophobicContact CG-CB 4.23Å; Y93-R98 HydrophobicContact CG-CG 4.43Å; Y93-R98 WeakPolarHBondContact OH-CD 3.2Å; Y93-R98 PolarHBondContact OH-NH1 3.43Å |
| 94 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 117.8 | 168.9 | -60.4 | -65.2 | 0 | 0 | 0 | 107.4 | F52 E79 L80 L92 R96 Q97 W117 L138 R139 Y142 V144 | F52-I94 HydrophobicContact CE1-CD1 3.62Å; F52-I94 HydrophobicContact CZ-CD1 3.84Å; E79-I94 WeakPolarHBondContact O-CA 3.48Å; L80-I94 HydrophobicContact CB-CD1 4.46Å; L80-I94 HydrophobicContact CG-CD1 4.14Å; L92-I94 HydrophobicContact CD1-CD1 4.15Å; L92-I94 HydrophobicContact CD2-CD1 4.24Å; L92-I94 HydrophobicContact CD2-CG1 4.03Å; L92-I94 HydrophobicContact CG-CD1 4.24Å; L92-I94 HydrophobicContact CG-CG1 4.09Å; I94-R96 VanDerWaalsContact C-N 3.3Å; I94-R96 PolarHBondContact O-N 2.96Å; I94-Q97 PolarHBondContact N-O 3.06Å; I94-Q97 PolarHBondContact O-N 3.04Å; I94-W117 HydrophobicContact CD1-CD2 4.32Å; I94-W117 HydrophobicContact CD1-CG 4.31Å; I94-W117 HydrophobicContact CG1-CD2 4.25Å; I94-W117 HydrophobicContact CG1-CG 4.15Å; I94-W117 HydrophobicContact CG2-CH2 4.32Å; I94-W117 HydrophobicContact CG2-CZ2 4.05Å; I94-L138 HydrophobicContact CB-CD1 3.88Å; I94-L138 HydrophobicContact CB-CG 4.23Å; I94-L138 HydrophobicContact CG1-CD1 3.87Å; I94-L138 HydrophobicContact CG1-CD2 4.48Å; I94-L138 HydrophobicContact CG1-CG 4.17Å; I94-R139 HydrophobicContact CB-CB 4.31Å; I94-R139 HydrophobicContact CB-CG 3.99Å; I94-R139 HydrophobicContact CG2-CB 3.84Å; I94-R139 HydrophobicContact CG2-CG 3.86Å; I94-R139 VanDerWaalsContact O-CG 3.24Å; I94-R139 WeakPolarHBondContact O-CG 3.09Å; I94-Y142 HydrophobicContact CG2-CD1 3.65Å; I94-Y142 HydrophobicContact CG2-CE1 4.17Å; I94-V144 HydrophobicContact CD1-CG2 4.28Å; I94-V144 HydrophobicContact CG2-CG2 4.05Å |
| 95 | G | 98.2 | Very high | 98.5 | Very high | 9 Ų | 9 | 53.2 Ų | 53.2 | 9% | 0.093 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.9 | 52.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N78 E79 Q97 R139 | N78-G95 PolarHBondContact O-N 2.76Å; E79-G95 PolarHBondContact O-N 3.16Å; G95-Q97 PolarHBondContact O-N 3.07Å; G95-Q97 VanDerWaalsContact O-N 3.13Å; G95-R139 PolarHBondContact O-NH2 2.75Å |
| 96 | R | 97.9 | Very high | 98.4 | Very high | 142 Ų | 142 | 60 Ų | 60 | 54% | 0.536 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | -10.7 | -177.7 | -52 | 178.1 | -179.2 | -150.6 | -4.4 | 117.5 | D77 N78 I94 | D77-R96 VanDerWaalsContact CG-CZ 3.41Å; D77-R96 VanDerWaalsContact O-CG 3.31Å; D77-R96 WeakPolarHBondContact O-CG 3.35Å; D77-R96 WeakPolarHBondContact OD1-CD 3.33Å; D77-R96 WeakPolarHBondContact OD1-CG 3.47Å; D77-R96 IonicContact OD1-CZ 3.05Å; D77-R96 IonicContact OD1-NE 3.42Å; D77-R96 PolarHBondContact OD1-NE 3.04Å; D77-R96 IonicContact OD1-NH1 3.72Å; D77-R96 IonicContact OD1-NH2 2.67Å; D77-R96 PolarHBondContact OD1-NH2 3.46Å; D77-R96 IonicContact OD2-CZ 3.15Å; D77-R96 IonicContact OD2-NE 2.87Å; D77-R96 IonicContact OD2-NH1 3.59Å; D77-R96 IonicContact OD2-NH2 2.98Å; D77-R96 PolarHBondContact OD2-NH2 2.87Å; N78-R96 HydrophobicContact CB-CG 4.21Å; N78-R96 PolarHBondContact O-N 3Å; I94-R96 VanDerWaalsContact C-N 3.3Å; I94-R96 PolarHBondContact O-N 2.96Å |
| 97 | Q | 98.6 | Very high | 98.3 | Very high | 98 Ų | 98 | 57.5 Ų | 57.5 | 46% | 0.458 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 146.2 | 171.1 | -70.6 | -171.9 | 19.2 | 0 | 0 | 110.4 | Y93 I94 G95 L138 R139 | Y93-Q97 CarbonylContact C-O 3.58Å; Y93-Q97 WeakPolarHBondContact CA-O 3.47Å; I94-Q97 PolarHBondContact N-O 3.06Å; I94-Q97 PolarHBondContact O-N 3.04Å; G95-Q97 PolarHBondContact O-N 3.07Å; G95-Q97 VanDerWaalsContact O-N 3.13Å; Q97-L138 WeakPolarHBondContact O-CD1 3.3Å; Q97-R139 HydrophobicContact CB-CG 3.85Å; Q97-R139 HydrophobicContact CG-CG 4.23Å |
| 98 | R | 98.5 | Very high | 98.3 | Very high | 128 Ų | 128 | 58 Ų | 58 | 48% | 0.483 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 143.8 | -174.6 | 179.5 | -177.5 | 64.7 | -168 | -0.7 | 112.9 | E85 L92 Y93 | E85-R98 WeakPolarHBondContact OE1-CD 3.25Å; E85-R98 IonicContact OE1-CZ 3.53Å; E85-R98 IonicContact OE1-NE 3.59Å; E85-R98 IonicContact OE1-NH1 3.78Å; E85-R98 PolarHBondContact OE1-NH1 3.04Å; L92-R98 WeakPolarHBondContact O-CA 3.31Å; Y93-R98 HydrophobicContact CD1-CB 3.75Å; Y93-R98 HydrophobicContact CD1-CG 4.28Å; Y93-R98 HydrophobicContact CD2-CG 4.35Å; Y93-R98 HydrophobicContact CE1-CB 3.74Å; Y93-R98 HydrophobicContact CE1-CG 4.06Å; Y93-R98 HydrophobicContact CE2-CG 4.14Å; Y93-R98 HydrophobicContact CG-CB 4.23Å; Y93-R98 HydrophobicContact CG-CG 4.43Å; Y93-R98 WeakPolarHBondContact OH-CD 3.2Å; Y93-R98 PolarHBondContact OH-NH1 3.43Å |
| 99 | V | 98.9 | Very high | 98.3 | Very high | 20 Ų | 20 | 59.3 Ų | 59.3 | 12% | 0.121 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 147.7 | 159.1 | -71.4 | 0 | 0 | 0 | 0 | 110.4 | S91 L92 F101 A124 K136 G137 L138 | S91-V99 VanDerWaalsContact CA-O 3.29Å; S91-V99 WeakPolarHBondContact CA-O 3.25Å; L92-V99 HydrophobicContact CB-CG2 4.34Å; L92-V99 PolarHBondContact N-O 3.33Å; L92-V99 PolarHBondContact O-N 3.14Å; V99-F101 HydrophobicContact CB-CE2 4.28Å; V99-F101 HydrophobicContact CG2-CE2 3.56Å; V99-F101 HydrophobicContact CG2-CZ 4.07Å; V99-A124 HydrophobicContact CG2-CB 4.33Å; V99-K136 HydrophobicContact CB-CB 3.86Å; V99-K136 HydrophobicContact CB-CD 3.96Å; V99-K136 HydrophobicContact CG1-CB 3.9Å; V99-K136 HydrophobicContact CG2-CB 4.11Å; V99-G137 WeakPolarHBondContact CG1-O 3.26Å; V99-L138 HydrophobicContact CG1-CB 3.99Å; V99-L138 HydrophobicContact CG1-CD1 4.42Å; V99-L138 HydrophobicContact CG1-CD2 4.33Å; V99-L138 HydrophobicContact CG1-CG 4.48Å; V99-L138 HydrophobicContact CG2-CD1 3.98Å; V99-L138 HydrophobicContact CG2-CD2 3.73Å; V99-L138 HydrophobicContact CG2-CG 4.36Å |
| 100 | T | 98.8 | Very high | 98.3 | Very high | 39 Ų | 39 | 61 Ų | 61 | 24% | 0.239 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 130.9 | -179.7 | -53.5 | 0 | 0 | 0 | 0 | 110.9 | E85 D89 Y90 S91 K136 | E85-T100 HydrophobicContact CG-CG2 4.38Å; D89-T100 HydrophobicContact CB-CG2 4.19Å; Y90-T100 CarbonylContact O-C 3.57Å; Y90-T100 WeakPolarHBondContact O-CA 3.47Å; S91-T100 PolarHBondContact OG-OG1 3.36Å; T100-K136 VanDerWaalsContact O-CD 3.25Å; T100-K136 WeakPolarHBondContact O-CD 3.33Å; T100-K136 WeakPolarHBondContact O-CE 3.09Å; T100-K136 PolarHBondContact O-NZ 3.44Å |
| 101 | F | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 149.2 | -178.7 | -60.1 | -103.8 | 0 | 0 | 0 | 110.5 | D89 Y90 V99 A124 F126 L133 V134 K136 | D89-F101 WeakPolarHBondContact CA-O 3.14Å; Y90-F101 PolarHBondContact N-O 3.05Å; Y90-F101 PolarHBondContact O-N 2.88Å; V99-F101 HydrophobicContact CB-CE2 4.28Å; V99-F101 HydrophobicContact CG2-CE2 3.56Å; V99-F101 HydrophobicContact CG2-CZ 4.07Å; F101-A124 HydrophobicContact CE2-CB 4.47Å; F101-A124 HydrophobicContact CZ-CB 3.92Å; F101-F126 HydrophobicContact CB-CD2 4.37Å; F101-F126 HydrophobicContact CD1-CB 4.18Å; F101-F126 HydrophobicContact CD1-CD2 4.11Å; F101-F126 AromaticContact CD2-CD2 3.2Å; F101-F126 HydrophobicContact CD2-CD2 3.2Å; F101-F126 AromaticContact CD2-CE2 3.47Å; F101-F126 HydrophobicContact CD2-CE2 3.47Å; F101-F126 VanDerWaalsContact CD2-CE2 3.47Å; F101-F126 HydrophobicContact CD2-CG 4.15Å; F101-F126 HydrophobicContact CE1-CD2 4.16Å; F101-F126 AromaticContact CE2-CD2 3.28Å; F101-F126 HydrophobicContact CE2-CD2 3.28Å; F101-F126 AromaticContact CE2-CE2 3.52Å; F101-F126 HydrophobicContact CE2-CE2 3.52Å; F101-F126 HydrophobicContact CE2-CG 4.48Å; F101-F126 HydrophobicContact CG-CB 4.21Å; F101-F126 AromaticContact CG-CD2 3.65Å; F101-F126 HydrophobicContact CG-CD2 3.65Å; F101-F126 HydrophobicContact CG-CE2 4.32Å; F101-F126 HydrophobicContact CG-CG 4.21Å; F101-F126 AromaticContact CZ-CD2 3.78Å; F101-F126 HydrophobicContact CZ-CD2 3.78Å; F101-F126 HydrophobicContact CZ-CE2 4.39Å; F101-L133 HydrophobicContact CB-CB 4.49Å; F101-L133 HydrophobicContact CB-CD1 3.71Å; F101-L133 HydrophobicContact CD1-CB 4.08Å; F101-V134 WeakPolarHBondContact CD1-O 2.91Å; F101-V134 WeakPolarHBondContact CE1-O 3.13Å; F101-K136 HydrophobicContact CD1-CD 3.88Å; F101-K136 HydrophobicContact CD1-CG 4.24Å; F101-K136 HydrophobicContact CD2-CD 4.08Å; F101-K136 HydrophobicContact CE1-CB 3.98Å; F101-K136 HydrophobicContact CE1-CD 3.8Å; F101-K136 HydrophobicContact CE1-CG 3.76Å; F101-K136 HydrophobicContact CE2-CB 4.39Å; F101-K136 HydrophobicContact CE2-CD 3.98Å; F101-K136 HydrophobicContact CG-CD 4.03Å; F101-K136 HydrophobicContact CZ-CB 3.7Å; F101-K136 HydrophobicContact CZ-CD 3.84Å; F101-K136 HydrophobicContact CZ-CG 3.92Å |
| 102 | K | 98.6 | Very high | 98.3 | Very high | 139 Ų | 139 | 62 Ų | 62 | 60% | 0.604 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 140.9 | -179 | -65.1 | -172.4 | 169.3 | -71.2 | 0 | 110.5 | G88 D89 | G88-K102 CarbonylContact O-C 3.57Å; G88-K102 VanDerWaalsContact O-CA 3.25Å; G88-K102 WeakPolarHBondContact O-CA 3.39Å; D89-K102 IonicContact OD1-NZ 3.29Å; D89-K102 PolarHBondContact OD1-NZ 2.87Å; D89-K102 IonicContact OD2-NZ 2.85Å; D89-K102 PolarHBondContact OD2-NZ 2.84Å |
| 103 | V | 98.4 | Very high | 98.3 | Very high | 37 Ų | 37 | 62 Ų | 62 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | trans | -146.6 | 149.8 | 175.7 | 66.3 | 0 | 0 | 0 | 0 | 109.8 | G88 Y90 E105 I128 L133 | G88-V103 VanDerWaalsContact CA-O 3.23Å; G88-V103 WeakPolarHBondContact CA-O 3.45Å; G88-V103 PolarHBondContact O-N 3.1Å; Y90-V103 HydrophobicContact CD2-CG1 4.07Å; Y90-V103 HydrophobicContact CE2-CG1 3.64Å; V103-E105 HydrophobicContact CG1-CB 4.46Å; V103-I128 HydrophobicContact CG1-CG1 4.31Å; V103-I128 HydrophobicContact CG1-CG2 4.43Å; V103-I128 HydrophobicContact CG2-CB 4.38Å; V103-I128 HydrophobicContact CG2-CG2 4.41Å; V103-L133 HydrophobicContact CB-CD1 4.07Å; V103-L133 HydrophobicContact CB-CD2 3.76Å; V103-L133 HydrophobicContact CG2-CD2 3.73Å | ||
| 104 | I | 97.7 | Very high | 98.3 | Very high | 174 Ų | 174 | 60.3 Ų | 60.3 | 89% | 0.892 | 29% | 0.294 | S | S | * | . | trans | -84.2 | 119.8 | 168 | -62.1 | 169.4 | 0 | 0 | 0 | 107.2 | ||||
| 105 | E | 96.2 | Very high | 98.3 | Very high | 44 Ų | 44 | 60.3 Ų | 60.3 | 21% | 0.206 | 29% | 0.294 | C | S | . | . | trans | -136.4 | 154.7 | -179.9 | 62.5 | -179.5 | -158.8 | 0 | 0 | 111.2 | K84 V87 G88 Y90 V103 | K84-E105 VanDerWaalsContact CE-OE1 3.26Å; K84-E105 WeakPolarHBondContact CE-OE1 3.26Å; K84-E105 IonicContact NZ-OE1 3.85Å; K84-E105 PolarHBondContact NZ-OE1 3.35Å; K84-E105 IonicContact NZ-OE2 3.63Å; K84-E105 PolarHBondContact NZ-OE2 3.08Å; V87-E105 WeakPolarHBondContact CA-OE1 3.47Å; V87-E105 HydrophobicContact CG1-CG 3.88Å; G88-E105 VanDerWaalsContact N-CD 3.3Å; G88-E105 PolarHBondContact N-OE1 3.38Å; Y90-E105 VanDerWaalsContact CE2-OE2 3.26Å; Y90-E105 WeakPolarHBondContact CE2-OE2 3.4Å; Y90-E105 PolarHBondContact OH-OE2 2.8Å; V103-E105 HydrophobicContact CG1-CB 4.46Å | ||
| 106 | K | 97.5 | Very high | 98.3 | Very high | 181 Ų | 181 | 60 Ų | 60 | 79% | 0.787 | 29% | 0.29 | S | S | * | . | trans | -80.4 | 153.4 | 170 | -65.9 | -179.2 | -178.7 | 177.5 | 0 | 109.3 | A109 | K106-A109 HydrophobicContact CB-CB 4.04Š| ||
| 107 | F | 97.1 | Very high | 98.4 | Very high | 80 Ų | 80 | 53.2 Ų | 53.2 | 35% | 0.351 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -143.7 | 128.7 | 179.8 | 179.9 | -98.3 | 0 | 0 | 0 | 111.6 | D61 L62 S63 V87 | D61-F107 VanDerWaalsContact O-CZ 3.27Å; D61-F107 WeakPolarHBondContact O-CZ 3.46Å; L62-F107 VanDerWaalsContact O-CE2 3.3Å; L62-F107 WeakPolarHBondContact O-CE2 3.14Å; L62-F107 WeakPolarHBondContact O-CZ 2.84Å; S63-F107 VanDerWaalsContact OG-CE1 3.3Å; S63-F107 WeakPolarHBondContact OG-CE1 3.27Å; S63-F107 VanDerWaalsContact OG-CZ 3.3Å; S63-F107 WeakPolarHBondContact OG-CZ 3.44Å; V87-F107 HydrophobicContact CG1-CB 3.84Å; V87-F107 HydrophobicContact CG1-CD2 4.43Å; V87-F107 HydrophobicContact CG1-CG 4.25Å; V87-F107 HydrophobicContact CG2-CB 4.13Å; V87-F107 HydrophobicContact CG2-CD1 4.09Å; V87-F107 HydrophobicContact CG2-CD2 3.49Å; V87-F107 VanDerWaalsContact CG2-CD2 3.49Å; V87-F107 HydrophobicContact CG2-CE1 4.4Å; V87-F107 HydrophobicContact CG2-CE2 3.85Å; V87-F107 HydrophobicContact CG2-CG 3.61Å; V87-F107 HydrophobicContact CG2-CZ 4.29Å |
| 108 | P | 97.6 | Very high | 98.4 | Very high | 69 Ų | 69 | 51.8 Ų | 51.8 | 45% | 0.448 | 26% | 0.258 | S | S | . | . | S | Bend | cis | -72 | 148 | -11 | 31.8 | -34.7 | 0 | 0 | 0 | 111.5 | Y59 D61 | Y59-P108 HydrophobicContact CE2-CB 4.36Å; D61-P108 HydrophobicContact CB-CB 3.99Å; D61-P108 HydrophobicContact CB-CG 4.44Å |
| 109 | A | 98.5 | Very high | 98.4 | Very high | 34 Ų | 34 | 45.9 Ų | 45.9 | 28% | 0.281 | 24% | 0.237 | S | C | . | . | trans | -156.3 | 147.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y59 K106 | Y59-A109 VanDerWaalsContact CD2-C 3.49Å; K106-A109 HydrophobicContact CB-CB 4.04Å | ||
| 110 | P | 98.6 | Very high | 98.4 | Very high | 49 Ų | 49 | 48.6 Ų | 48.6 | 32% | 0.318 | 26% | 0.256 | S | S | . | . | trans | -58.4 | 145.8 | 166.8 | -25.3 | 35.7 | 0 | 0 | 0 | 111.8 | Y59 W222 | Y59-P110 HydrophobicContact CD1-CG 4.2Å; Y59-P110 HydrophobicContact CD2-CB 4.35Å; Y59-P110 HydrophobicContact CD2-CG 3.84Å; Y59-P110 HydrophobicContact CE1-CG 4.34Å; Y59-P110 HydrophobicContact CE2-CG 4.02Å; Y59-P110 HydrophobicContact CG-CB 4.4Å; Y59-P110 HydrophobicContact CG-CG 3.95Å; P110-W222 HydrophobicContact CB-CE3 3.59Å; P110-W222 HydrophobicContact CB-CZ3 3.97Å; P110-W222 HydrophobicContact CG-CB 4.16Å; P110-W222 HydrophobicContact CG-CD2 4.47Å; P110-W222 HydrophobicContact CG-CE3 3.97Å; P110-W222 WeakPolarHBondContact CG-O 3.12Å | ||
| 111 | V | 98.8 | Very high | 98.4 | Very high | 17 Ų | 17 | 48.8 Ų | 48.8 | 10% | 0.103 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 136.4 | 178.8 | 65.2 | 0 | 0 | 0 | 0 | 111 | R57 A58 I113 I128 N129 | R57-V111 CarbonylContact C-O 3.57Å; R57-V111 VanDerWaalsContact CA-O 3.3Å; R57-V111 WeakPolarHBondContact CA-O 3.01Å; A58-V111 HydrophobicContact CB-CG1 4.26Å; A58-V111 PolarHBondContact N-O 2.83Å; A58-V111 PolarHBondContact O-N 2.62Å; V111-I113 HydrophobicContact CB-CG1 4.49Å; V111-I113 HydrophobicContact CG1-CD1 3.84Å; V111-I113 HydrophobicContact CG1-CG1 3.97Å; V111-I113 HydrophobicContact CG2-CD1 4.49Å; V111-I113 HydrophobicContact CG2-CG1 3.82Å; V111-I128 HydrophobicContact CG2-CG2 3.66Å; V111-N129 WeakPolarHBondContact CA-OD1 3.4Å |
| 112 | H | 98.9 | Very high | 98.4 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.019 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 126.7 | 163.4 | 176.3 | -95.3 | 0 | 0 | 0 | 108.9 | R57 C114 N129 Y192 | R57-H112 HydrophobicContact CG-CB 4.32Å; H112-C114 PolarHBondContact CE1-SG 3.46Å; H112-N129 PolarHBondContact N-OD1 3.49Å; H112-N129 PolarHBondContact O-N 2.67Å; H112-Y192 HydrophobicContact CB-CD2 3.59Å; H112-Y192 HydrophobicContact CB-CE2 4.07Å; H112-Y192 VanDerWaalsContact CE1-CA 3.47Å; H112-Y192 WeakPolarHBondContact CE1-CA 3.37Å; H112-Y192 PolarHBondContact CE1-N 2.87Å; H112-Y192 AromaticContact CG-CD2 3.68Å; H112-Y192 AromaticContact ND1-CD2 3.72Å |
| 113 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 126.4 | -175.3 | -56.5 | 168.1 | 0 | 0 | 0 | 106.9 | C55 F56 L68 Y90 V111 F126 I128 | C55-I113 CarbonylContact C-O 3.55Å; C55-I113 WeakPolarHBondContact CA-O 3.39Å; F56-I113 HydrophobicContact CE2-CB 4.35Å; F56-I113 HydrophobicContact CE2-CD1 3.81Å; F56-I113 HydrophobicContact CZ-CB 4.29Å; F56-I113 HydrophobicContact CZ-CD1 4.14Å; F56-I113 HydrophobicContact CZ-CG2 4.33Å; F56-I113 PolarHBondContact N-O 2.77Å; F56-I113 PolarHBondContact O-N 2.98Å; L68-I113 HydrophobicContact CD1-CD1 3.8Å; Y90-I113 HydrophobicContact CD1-CD1 4.25Å; Y90-I113 HydrophobicContact CE1-CD1 3.58Å; Y90-I113 HydrophobicContact CE1-CG1 4.16Å; V111-I113 HydrophobicContact CB-CG1 4.49Å; V111-I113 HydrophobicContact CG1-CD1 3.84Å; V111-I113 HydrophobicContact CG1-CG1 3.97Å; V111-I113 HydrophobicContact CG2-CD1 4.49Å; V111-I113 HydrophobicContact CG2-CG1 3.82Å; I113-F126 HydrophobicContact CG2-CD1 3.99Å; I113-F126 HydrophobicContact CG2-CE1 3.9Å; I113-I128 HydrophobicContact CB-CD1 4.34Å; I113-I128 HydrophobicContact CG1-CD1 3.95Å; I113-I128 HydrophobicContact CG2-CD1 4.05Å |
| 114 | C | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 140.9 | 158.2 | -65.5 | 0 | 0 | 0 | 0 | 109.5 | L54 C55 H112 F126 W127 I188 | L54-C114 CarbonylContact O-C 3.51Å; L54-C114 VanDerWaalsContact O-CA 3.22Å; L54-C114 WeakPolarHBondContact O-CA 3.34Å; C55-C114 HydrophobicContact CB-CB 4.16Å; C55-C114 WeakPolarHBondContact CB-SG 3.3Å; C55-C114 WeakPolarHBondContact SG-CB 3.46Å; C55-C114 CovalentContact SG-SG 2.03Å; C55-C114 PolarHBondContact SG-SG 3.24Å; H112-C114 PolarHBondContact CE1-SG 3.46Å; C114-F126 CarbonylContact O-C 3.53Å; C114-F126 WeakPolarHBondContact O-CA 3.49Å; C114-W127 HydrophobicContact CB-CB 4.19Å; C114-W127 PolarHBondContact N-O 3.37Å; C114-W127 PolarHBondContact O-N 3.18Å; C114-I188 HydrophobicContact CB-CG2 4.14Å |
| 115 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 131.4 | 169.6 | 60.4 | 0 | 0 | 0 | 0 | 109.9 | T53 L54 V82 L92 E125 F126 | T53-V115 CarbonylContact C-O 3.48Å; T53-V115 WeakPolarHBondContact CA-O 3.44Å; L54-V115 HydrophobicContact CB-CG1 4.14Å; L54-V115 HydrophobicContact CD2-CG1 4.47Å; L54-V115 PolarHBondContact N-O 3.36Å; L54-V115 PolarHBondContact O-N 2.87Å; V82-V115 HydrophobicContact CG2-CG1 3.7Å; L92-V115 HydrophobicContact CB-CG2 4.4Å; L92-V115 HydrophobicContact CD1-CG2 4.17Å; L92-V115 HydrophobicContact CD2-CG2 3.89Å; L92-V115 HydrophobicContact CG-CG2 4.38Å; V115-E125 CarbonylContact C-O 3.54Å; V115-E125 WeakPolarHBondContact CA-O 3.3Å; V115-F126 HydrophobicContact CB-CD1 4.06Å; V115-F126 HydrophobicContact CB-CD2 4.25Å; V115-F126 HydrophobicContact CB-CE1 3.86Å; V115-F126 HydrophobicContact CB-CE2 4.11Å; V115-F126 HydrophobicContact CB-CG 4.27Å; V115-F126 HydrophobicContact CB-CZ 3.91Å; V115-F126 HydrophobicContact CG1-CE1 4.49Å; V115-F126 HydrophobicContact CG1-CZ 4.47Å; V115-F126 HydrophobicContact CG2-CD1 4.42Å; V115-F126 HydrophobicContact CG2-CD2 3.72Å; V115-F126 HydrophobicContact CG2-CE1 4.18Å; V115-F126 HydrophobicContact CG2-CE2 3.49Å; V115-F126 VanDerWaalsContact CG2-CE2 3.49Å; V115-F126 HydrophobicContact CG2-CG 4.22Å; V115-F126 HydrophobicContact CG2-CZ 3.74Å |
| 116 | S | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.014 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 157.2 | 171.5 | 65.1 | 0 | 0 | 0 | 0 | 111 | F52 T53 A124 E125 | F52-S116 WeakPolarHBondContact O-CA 3.3Å; F52-S116 VanDerWaalsContact O-CB 3.3Å; F52-S116 WeakPolarHBondContact O-CB 3.24Å; T53-S116 WeakPolarHBondContact OG1-CB 3.46Å; S116-A124 CarbonylContact O-C 3.6Å; S116-A124 WeakPolarHBondContact O-CA 3.47Å; S116-E125 PolarHBondContact N-O 3.03Å; S116-E125 PolarHBondContact O-N 2.81Å; S116-E125 WeakPolarHBondContact OG-CB 3.38Å |
| 117 | W | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 140.5 | 170.9 | 175.1 | 82.7 | 0 | 0 | 0 | 110.6 | Q50 N51 F52 L92 I94 S119 G122 I123 L138 R139 Y142 V144 | Q50-W117 VanDerWaalsContact O-CZ3 3.24Å; Q50-W117 WeakPolarHBondContact O-CZ3 3.29Å; N51-W117 WeakPolarHBondContact CA-O 3.46Å; F52-W117 HydrophobicContact CD1-CB 4.27Å; F52-W117 HydrophobicContact CD1-CE3 4.2Å; F52-W117 HydrophobicContact CE1-CB 3.59Å; F52-W117 HydrophobicContact CE1-CD2 4.39Å; F52-W117 HydrophobicContact CE1-CE3 4.01Å; F52-W117 HydrophobicContact CE1-CG 4.29Å; F52-W117 HydrophobicContact CZ-CB 3.75Å; F52-W117 PolarHBondContact N-O 3.21Å; F52-W117 PolarHBondContact O-N 2.89Å; L92-W117 HydrophobicContact CD2-CB 4.18Å; I94-W117 HydrophobicContact CD1-CD2 4.32Å; I94-W117 HydrophobicContact CD1-CG 4.31Å; I94-W117 HydrophobicContact CG1-CD2 4.25Å; I94-W117 HydrophobicContact CG1-CG 4.15Å; I94-W117 HydrophobicContact CG2-CH2 4.32Å; I94-W117 HydrophobicContact CG2-CZ2 4.05Å; W117-S119 VanDerWaalsContact CH2-CA 3.47Å; W117-G122 PolarHBondContact NE1-O 3.19Å; W117-I123 VanDerWaalsContact CA-O 3.3Å; W117-I123 WeakPolarHBondContact CA-O 3.13Å; W117-L138 PolarHBondContact NE1-O 2.75Å; W117-R139 HydrophobicContact CZ2-CB 3.98Å; W117-R139 WeakPolarHBondContact CZ2-O 3.28Å; W117-Y142 WeakPolarHBondContact CH2-O 3.46Å; W117-V144 HydrophobicContact CE3-CG2 4.25Å; W117-V144 HydrophobicContact CH2-CG2 4.48Å; W117-V144 HydrophobicContact CZ3-CG2 3.87Å |
| 118 | E | 98.9 | Very high | 98.8 | Very high | 68 Ų | 68 | 23.1 Ų | 23.1 | 32% | 0.318 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 123.6 | -179.1 | -167 | -169.7 | -148.2 | 0 | 0 | 110.7 | N51 S120 S121 G122 I123 V182 | N51-E118 VanDerWaalsContact OD1-CG 3.31Å; N51-E118 WeakPolarHBondContact OD1-CG 3.24Å; E118-S120 WeakPolarHBondContact CG-OG 3.06Å; E118-S120 PolarHBondContact O-N 3.4Å; E118-S120 PolarHBondContact OE1-OG 2.81Å; E118-S120 PolarHBondContact OE2-OG 3.06Å; E118-S121 WeakPolarHBondContact OE2-CB 3.26Å; E118-S121 PolarHBondContact OE2-OG 3.41Å; E118-G122 CarbonylContact O-C 3.6Å; E118-G122 WeakPolarHBondContact O-CA 3.13Å; E118-G122 PolarHBondContact O-N 2.8Å; E118-I123 PolarHBondContact N-O 2.96Å; E118-V182 HydrophobicContact CB-CG2 3.9Å; E118-V182 HydrophobicContact CG-CG2 4.28Å |
| 119 | S | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 22.9 Ų | 22.9 | 4% | 0.035 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -43 | -178.6 | 174.7 | 0 | 0 | 0 | 0 | 113 | Q50 N51 W117 S121 G122 Q140 G141 Y142 | Q50-S119 WeakPolarHBondContact O-CA 3.44Å; Q50-S119 WeakPolarHBondContact O-CB 3.48Å; Q50-S119 PolarHBondContact O-N 2.96Å; Q50-S119 PolarHBondContact OE1-OG 2.92Å; N51-S119 PolarHBondContact OD1-N 2.89Å; W117-S119 VanDerWaalsContact CH2-CA 3.47Å; S119-S121 VanDerWaalsContact C-N 3.27Å; S119-S121 PolarHBondContact O-N 2.93Å; S119-G122 PolarHBondContact O-N 3.28Å; S119-Q140 CarbonylContact O-C 3.48Å; S119-Q140 WeakPolarHBondContact O-CA 3.47Å; S119-G141 PolarHBondContact O-N 2.92Å; S119-G141 WeakPolarHBondContact OG-CA 3.15Å; S119-Y142 VanDerWaalsContact CB-O 3.24Å; S119-Y142 WeakPolarHBondContact CB-O 3.32Å; S119-Y142 PolarHBondContact OG-N 2.74Å; S119-Y142 PolarHBondContact OG-O 2.86Å |
| 120 | S | 98.8 | Very high | 98.8 | Very high | 76 Ų | 76 | 21.8 Ų | 21.8 | 53% | 0.531 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -38.3 | -173.6 | 60.7 | 0 | 0 | 0 | 0 | 112.8 | E118 Q140 | E118-S120 WeakPolarHBondContact CG-OG 3.06Å; E118-S120 PolarHBondContact O-N 3.4Å; E118-S120 PolarHBondContact OE1-OG 2.81Å; E118-S120 PolarHBondContact OE2-OG 3.06Å; S120-Q140 WeakPolarHBondContact O-CG 3.35Å; S120-Q140 PolarHBondContact O-NE2 2.76Å |
| 121 | S | 98.8 | Very high | 98.8 | Very high | 43 Ų | 43 | 23.6 Ų | 23.6 | 30% | 0.301 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -20.1 | -179.8 | 66.3 | 0 | 0 | 0 | 0 | 113.5 | E118 S119 I123 | E118-S121 WeakPolarHBondContact OE2-CB 3.26Å; E118-S121 PolarHBondContact OE2-OG 3.41Å; S119-S121 VanDerWaalsContact C-N 3.27Å; S119-S121 PolarHBondContact O-N 2.93Å; S121-I123 PolarHBondContact O-N 2.79Å; S121-I123 WeakPolarHBondContact OG-CB 3.39Å; S121-I123 WeakPolarHBondContact OG-CG1 3.22Å; S121-I123 PolarHBondContact OG-N 3.45Å |
| 122 | G | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | trans | 70.8 | 5.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | W117 E118 S119 A124 G137 L138 | W117-G122 PolarHBondContact NE1-O 3.19Å; E118-G122 CarbonylContact O-C 3.6Å; E118-G122 WeakPolarHBondContact O-CA 3.13Å; E118-G122 PolarHBondContact O-N 2.8Å; S119-G122 PolarHBondContact O-N 3.28Å; G122-A124 PolarHBondContact O-N 3.03Å; G122-G137 CarbonylContact O-C 3.13Å; G122-G137 VanDerWaalsContact O-CA 3.27Å; G122-G137 WeakPolarHBondContact O-CA 3.23Å; G122-L138 CarbonylContact C-O 3.51Å; G122-L138 VanDerWaalsContact CA-O 3.27Å; G122-L138 WeakPolarHBondContact CA-O 3.47Å; G122-L138 PolarHBondContact O-N 3.04Å; G122-L138 VanDerWaalsContact O-O 3.06Å | ||
| 123 | I | 98.9 | Very high | 98.8 | Very high | 55 Ų | 55 | 26.8 Ų | 26.8 | 28% | 0.282 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 128.4 | -175.2 | -65 | -63 | 0 | 0 | 0 | 110.1 | W117 E118 S121 E125 K135 K136 | W117-I123 VanDerWaalsContact CA-O 3.3Å; W117-I123 WeakPolarHBondContact CA-O 3.13Å; E118-I123 PolarHBondContact N-O 2.96Å; S121-I123 PolarHBondContact O-N 2.79Å; S121-I123 WeakPolarHBondContact OG-CB 3.39Å; S121-I123 WeakPolarHBondContact OG-CG1 3.22Å; S121-I123 PolarHBondContact OG-N 3.45Å; I123-E125 HydrophobicContact CG2-CG 4.01Å; I123-K135 HydrophobicContact CG2-CB 4.16Å; I123-K135 HydrophobicContact CG2-CD 4.17Å; I123-K135 HydrophobicContact CG2-CG 4.11Å; I123-K136 CarbonylContact C-O 3.58Å; I123-K136 WeakPolarHBondContact CA-O 3.45Å |
| 124 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 136.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L92 V99 F101 S116 G122 K136 L138 | L92-A124 HydrophobicContact CD2-CB 3.63Å; V99-A124 HydrophobicContact CG2-CB 4.33Å; F101-A124 HydrophobicContact CE2-CB 4.47Å; F101-A124 HydrophobicContact CZ-CB 3.92Å; S116-A124 CarbonylContact O-C 3.6Å; S116-A124 WeakPolarHBondContact O-CA 3.47Å; G122-A124 PolarHBondContact O-N 3.03Å; A124-K136 PolarHBondContact N-O 2.72Å; A124-K136 PolarHBondContact O-N 2.97Å; A124-K136 VanDerWaalsContact O-N 3.15Å; A124-L138 HydrophobicContact CB-CD2 3.69Å |
| 125 | E | 98.9 | Very high | 98.8 | Very high | 34 Ų | 34 | 37.8 Ų | 37.8 | 16% | 0.159 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 122.3 | 178.9 | -41.5 | -162.7 | 179.6 | 0 | 0 | 110.1 | V115 S116 I123 K135 | V115-E125 CarbonylContact C-O 3.54Å; V115-E125 WeakPolarHBondContact CA-O 3.3Å; S116-E125 PolarHBondContact N-O 3.03Å; S116-E125 PolarHBondContact O-N 2.81Å; S116-E125 WeakPolarHBondContact OG-CB 3.38Å; I123-E125 HydrophobicContact CG2-CG 4.01Å; E125-K135 VanDerWaalsContact CD-CE 3.41Å; E125-K135 HydrophobicContact CG-CG 4.14Å; E125-K135 WeakPolarHBondContact OE1-CE 3.39Å; E125-K135 IonicContact OE1-NZ 2.78Å; E125-K135 PolarHBondContact OE1-NZ 2.82Å; E125-K135 IonicContact OE2-NZ 3.62Å; E125-K135 PolarHBondContact OE2-NZ 2.8Å |
| 126 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 141.5 | 165.2 | -91.7 | -96.1 | 0 | 0 | 0 | 110.4 | V82 Y90 L92 F101 I113 C114 V115 I128 L133 | V82-F126 HydrophobicContact CG1-CE1 4.13Å; V82-F126 HydrophobicContact CG1-CZ 4.13Å; Y90-F126 HydrophobicContact CD1-CE1 4.39Å; Y90-F126 HydrophobicContact CG-CE1 4.35Å; L92-F126 HydrophobicContact CB-CE2 3.76Å; L92-F126 HydrophobicContact CB-CZ 4.24Å; F101-F126 HydrophobicContact CB-CD2 4.37Å; F101-F126 HydrophobicContact CD1-CB 4.18Å; F101-F126 HydrophobicContact CD1-CD2 4.11Å; F101-F126 AromaticContact CD2-CD2 3.2Å; F101-F126 HydrophobicContact CD2-CD2 3.2Å; F101-F126 AromaticContact CD2-CE2 3.47Å; F101-F126 HydrophobicContact CD2-CE2 3.47Å; F101-F126 VanDerWaalsContact CD2-CE2 3.47Å; F101-F126 HydrophobicContact CD2-CG 4.15Å; F101-F126 HydrophobicContact CE1-CD2 4.16Å; F101-F126 AromaticContact CE2-CD2 3.28Å; F101-F126 HydrophobicContact CE2-CD2 3.28Å; F101-F126 AromaticContact CE2-CE2 3.52Å; F101-F126 HydrophobicContact CE2-CE2 3.52Å; F101-F126 HydrophobicContact CE2-CG 4.48Å; F101-F126 HydrophobicContact CG-CB 4.21Å; F101-F126 AromaticContact CG-CD2 3.65Å; F101-F126 HydrophobicContact CG-CD2 3.65Å; F101-F126 HydrophobicContact CG-CE2 4.32Å; F101-F126 HydrophobicContact CG-CG 4.21Å; F101-F126 AromaticContact CZ-CD2 3.78Å; F101-F126 HydrophobicContact CZ-CD2 3.78Å; F101-F126 HydrophobicContact CZ-CE2 4.39Å; I113-F126 HydrophobicContact CG2-CD1 3.99Å; I113-F126 HydrophobicContact CG2-CE1 3.9Å; C114-F126 CarbonylContact O-C 3.53Å; C114-F126 WeakPolarHBondContact O-CA 3.49Å; V115-F126 HydrophobicContact CB-CD1 4.06Å; V115-F126 HydrophobicContact CB-CD2 4.25Å; V115-F126 HydrophobicContact CB-CE1 3.86Å; V115-F126 HydrophobicContact CB-CE2 4.11Å; V115-F126 HydrophobicContact CB-CG 4.27Å; V115-F126 HydrophobicContact CB-CZ 3.91Å; V115-F126 HydrophobicContact CG1-CE1 4.49Å; V115-F126 HydrophobicContact CG1-CZ 4.47Å; V115-F126 HydrophobicContact CG2-CD1 4.42Å; V115-F126 HydrophobicContact CG2-CD2 3.72Å; V115-F126 HydrophobicContact CG2-CE1 4.18Å; V115-F126 HydrophobicContact CG2-CE2 3.49Å; V115-F126 VanDerWaalsContact CG2-CE2 3.49Å; V115-F126 HydrophobicContact CG2-CG 4.22Å; V115-F126 HydrophobicContact CG2-CZ 3.74Å; F126-I128 HydrophobicContact CD1-CD1 4.23Å; F126-L133 HydrophobicContact CB-CB 4.21Å; F126-L133 HydrophobicContact CB-CD1 3.83Å; F126-L133 HydrophobicContact CB-CG 4.06Å; F126-L133 PolarHBondContact O-N 3.47Å |
| 127 | W | 98.9 | Very high | 98.8 | Very high | 22 Ų | 22 | 43.5 Ų | 43.5 | 8% | 0.083 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 122.2 | 167.9 | -67.5 | 70 | 0 | 0 | 0 | 108.4 | C114 G130 T131 P132 P185 I188 | C114-W127 HydrophobicContact CB-CB 4.19Å; C114-W127 PolarHBondContact N-O 3.37Å; C114-W127 PolarHBondContact O-N 3.18Å; W127-G130 VanDerWaalsContact CE3-O 3.3Å; W127-G130 WeakPolarHBondContact CZ3-O 3.18Å; W127-T131 CarbonylContact C-O 3.53Å; W127-T131 VanDerWaalsContact CA-O 3.3Å; W127-T131 WeakPolarHBondContact CA-O 3.43Å; W127-P132 HydrophobicContact CD2-CB 3.83Å; W127-P132 HydrophobicContact CE3-CB 3.98Å; W127-P132 HydrophobicContact CE3-CG 4.28Å; W127-P132 HydrophobicContact CH2-CB 3.85Å; W127-P132 HydrophobicContact CH2-CG 3.86Å; W127-P132 HydrophobicContact CZ2-CB 3.72Å; W127-P132 HydrophobicContact CZ2-CG 4.24Å; W127-P132 HydrophobicContact CZ3-CB 3.99Å; W127-P132 VanDerWaalsContact CZ3-CD 3.46Å; W127-P132 HydrophobicContact CZ3-CG 3.91Å; W127-P185 HydrophobicContact CH2-CB 3.72Å; W127-P185 HydrophobicContact CH2-CG 4.08Å; W127-P185 HydrophobicContact CZ2-CB 4.11Å; W127-P185 HydrophobicContact CZ2-CG 4.07Å; W127-I188 HydrophobicContact CB-CG2 3.88Å; W127-I188 HydrophobicContact CD2-CD1 4.07Å; W127-I188 HydrophobicContact CD2-CG2 3.84Å; W127-I188 HydrophobicContact CE3-CG2 3.99Å; W127-I188 HydrophobicContact CG-CD1 4.03Å; W127-I188 HydrophobicContact CG-CG2 3.8Å; W127-I188 HydrophobicContact CZ2-CD1 4.34Å |
| 128 | I | 98.8 | Very high | 98.8 | Very high | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 120.4 | 179.5 | -58.6 | -61.1 | 0 | 0 | 0 | 107.7 | Y90 V103 V111 I113 F126 G130 T131 L133 | Y90-I128 HydrophobicContact CD1-CD1 4.31Å; Y90-I128 HydrophobicContact CD2-CD1 4.05Å; Y90-I128 HydrophobicContact CD2-CG1 4.41Å; Y90-I128 HydrophobicContact CE1-CD1 4.1Å; Y90-I128 HydrophobicContact CE2-CD1 3.84Å; Y90-I128 HydrophobicContact CE2-CG1 4.21Å; Y90-I128 HydrophobicContact CG-CD1 4.28Å; V103-I128 HydrophobicContact CG1-CG1 4.31Å; V103-I128 HydrophobicContact CG1-CG2 4.43Å; V103-I128 HydrophobicContact CG2-CB 4.38Å; V103-I128 HydrophobicContact CG2-CG2 4.41Å; V111-I128 HydrophobicContact CG2-CG2 3.66Å; I113-I128 HydrophobicContact CB-CD1 4.34Å; I113-I128 HydrophobicContact CG1-CD1 3.95Å; I113-I128 HydrophobicContact CG2-CD1 4.05Å; F126-I128 HydrophobicContact CD1-CD1 4.23Å; I128-G130 PolarHBondContact O-N 2.99Å; I128-T131 PolarHBondContact N-O 3.24Å; I128-T131 WeakPolarHBondContact O-CB 3.3Å; I128-T131 PolarHBondContact O-N 3.42Å; I128-L133 HydrophobicContact CG1-CD1 3.79Å; I128-L133 HydrophobicContact CG1-CD2 4.38Å; I128-L133 HydrophobicContact CG1-CG 4.17Å |
| 129 | N | 98.6 | Very high | 98.8 | Very high | 63 Ų | 63 | 43.9 Ų | 43.9 | 34% | 0.337 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 43.3 | -176.4 | -60.8 | -28.9 | 0 | 0 | 0 | 112.6 | V111 H112 T131 Y192 | V111-N129 WeakPolarHBondContact CA-OD1 3.4Å; H112-N129 PolarHBondContact N-OD1 3.49Å; H112-N129 PolarHBondContact O-N 2.67Å; N129-T131 PolarHBondContact O-N 2.87Å; N129-Y192 HydrophobicContact CB-CE2 4.27Å |
| 130 | G | 98.3 | Very high | 98.8 | Very high | 12 Ų | 12 | 50.4 Ų | 50.4 | 12% | 0.124 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 4.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | W127 I128 | W127-G130 VanDerWaalsContact CE3-O 3.3Å; W127-G130 WeakPolarHBondContact CZ3-O 3.18Å; I128-G130 PolarHBondContact O-N 2.99Å |
| 131 | T | 98.6 | Very high | 98.7 | Very high | 86 Ų | 86 | 49.5 Ų | 49.5 | 53% | 0.528 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 127.1 | 177.5 | -56.5 | 0 | 0 | 0 | 0 | 110.7 | W127 I128 N129 | W127-T131 CarbonylContact C-O 3.53Å; W127-T131 VanDerWaalsContact CA-O 3.3Å; W127-T131 WeakPolarHBondContact CA-O 3.43Å; I128-T131 PolarHBondContact N-O 3.24Å; I128-T131 WeakPolarHBondContact O-CB 3.3Å; I128-T131 PolarHBondContact O-N 3.42Å; N129-T131 PolarHBondContact O-N 2.87Å |
| 132 | P | 98.8 | Very high | 98.7 | Very high | 67 Ų | 67 | 49.1 Ų | 49.1 | 44% | 0.435 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 141.1 | 178.9 | 28.3 | -30.8 | 0 | 0 | 0 | 111.3 | W127 | W127-P132 HydrophobicContact CD2-CB 3.83Å; W127-P132 HydrophobicContact CE3-CB 3.98Å; W127-P132 HydrophobicContact CE3-CG 4.28Å; W127-P132 HydrophobicContact CH2-CB 3.85Å; W127-P132 HydrophobicContact CH2-CG 3.86Å; W127-P132 HydrophobicContact CZ2-CB 3.72Å; W127-P132 HydrophobicContact CZ2-CG 4.24Å; W127-P132 HydrophobicContact CZ3-CB 3.99Å; W127-P132 VanDerWaalsContact CZ3-CD 3.46Å; W127-P132 HydrophobicContact CZ3-CG 3.91Å |
| 133 | L | 98.8 | Very high | 98.7 | Very high | 21 Ų | 21 | 51.1 Ų | 51.1 | 11% | 0.11 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -93.8 | 169 | 169.3 | -53.8 | -168.5 | 0 | 0 | 0 | 110.8 | F101 V103 F126 I128 K135 | F101-L133 HydrophobicContact CB-CB 4.49Å; F101-L133 HydrophobicContact CB-CD1 3.71Å; F101-L133 HydrophobicContact CD1-CB 4.08Å; V103-L133 HydrophobicContact CB-CD1 4.07Å; V103-L133 HydrophobicContact CB-CD2 3.76Å; V103-L133 HydrophobicContact CG2-CD2 3.73Å; F126-L133 HydrophobicContact CB-CB 4.21Å; F126-L133 HydrophobicContact CB-CD1 3.83Å; F126-L133 HydrophobicContact CB-CG 4.06Å; F126-L133 PolarHBondContact O-N 3.47Å; I128-L133 HydrophobicContact CG1-CD1 3.79Å; I128-L133 HydrophobicContact CG1-CD2 4.38Å; I128-L133 HydrophobicContact CG1-CG 4.17Å; L133-K135 PolarHBondContact O-N 2.93Å; L133-K135 VanDerWaalsContact O-N 3.14Å |
| 134 | V | 98.8 | Very high | 98.7 | Very high | 120 Ų | 120 | 48.5 Ų | 48.5 | 73% | 0.727 | 28% | 0.278 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 117.1 | 176.5 | -179.9 | 0 | 0 | 0 | 0 | 109.8 | F101 | F101-V134 WeakPolarHBondContact CD1-O 2.91Å; F101-V134 WeakPolarHBondContact CE1-O 3.13Å |
| 135 | K | 98.9 | Very high | 98.7 | Very high | 112 Ų | 112 | 51.4 Ų | 51.4 | 49% | 0.487 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -51.1 | 144.4 | 175.8 | -72.2 | 169.3 | 154.6 | 55.6 | 0 | 111.9 | I123 E125 L133 | I123-K135 HydrophobicContact CG2-CB 4.16Å; I123-K135 HydrophobicContact CG2-CD 4.17Å; I123-K135 HydrophobicContact CG2-CG 4.11Å; E125-K135 VanDerWaalsContact CD-CE 3.41Å; E125-K135 HydrophobicContact CG-CG 4.14Å; E125-K135 WeakPolarHBondContact OE1-CE 3.39Å; E125-K135 IonicContact OE1-NZ 2.78Å; E125-K135 PolarHBondContact OE1-NZ 2.82Å; E125-K135 IonicContact OE2-NZ 3.62Å; E125-K135 PolarHBondContact OE2-NZ 2.8Å; L133-K135 PolarHBondContact O-N 2.93Å; L133-K135 VanDerWaalsContact O-N 3.14Å |
| 136 | K | 98.9 | Very high | 98.7 | Very high | 73 Ų | 73 | 50.3 Ų | 50.3 | 32% | 0.317 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 155.4 | 176.4 | -65.6 | 174.3 | -174.9 | -100.7 | 0 | 110.2 | V99 T100 F101 I123 A124 | V99-K136 HydrophobicContact CB-CB 3.86Å; V99-K136 HydrophobicContact CB-CD 3.96Å; V99-K136 HydrophobicContact CG1-CB 3.9Å; V99-K136 HydrophobicContact CG2-CB 4.11Å; T100-K136 VanDerWaalsContact O-CD 3.25Å; T100-K136 WeakPolarHBondContact O-CD 3.33Å; T100-K136 WeakPolarHBondContact O-CE 3.09Å; T100-K136 PolarHBondContact O-NZ 3.44Å; F101-K136 HydrophobicContact CD1-CD 3.88Å; F101-K136 HydrophobicContact CD1-CG 4.24Å; F101-K136 HydrophobicContact CD2-CD 4.08Å; F101-K136 HydrophobicContact CE1-CB 3.98Å; F101-K136 HydrophobicContact CE1-CD 3.8Å; F101-K136 HydrophobicContact CE1-CG 3.76Å; F101-K136 HydrophobicContact CE2-CB 4.39Å; F101-K136 HydrophobicContact CE2-CD 3.98Å; F101-K136 HydrophobicContact CG-CD 4.03Å; F101-K136 HydrophobicContact CZ-CB 3.7Å; F101-K136 HydrophobicContact CZ-CD 3.84Å; F101-K136 HydrophobicContact CZ-CG 3.92Å; I123-K136 CarbonylContact C-O 3.58Å; I123-K136 WeakPolarHBondContact CA-O 3.45Å; A124-K136 PolarHBondContact N-O 2.72Å; A124-K136 PolarHBondContact O-N 2.97Å; A124-K136 VanDerWaalsContact O-N 3.15Å |
| 137 | G | 98.7 | Very high | 98.6 | Very high | 50 Ų | 50 | 55.9 Ų | 55.9 | 52% | 0.515 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 136.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V99 G122 | V99-G137 WeakPolarHBondContact CG1-O 3.26Å; G122-G137 CarbonylContact O-C 3.13Å; G122-G137 VanDerWaalsContact O-CA 3.27Å; G122-G137 WeakPolarHBondContact O-CA 3.23Å |
| 138 | L | 98.8 | Very high | 98.6 | Very high | 11 Ų | 11 | 55.7 Ų | 55.7 | 6% | 0.058 | 32% | 0.316 | C | S | . | . | trans | -152.6 | 150.2 | 166.4 | 71.1 | 174.2 | 0 | 0 | 0 | 110.9 | L92 I94 Q97 V99 W117 G122 A124 Q140 | L92-L138 HydrophobicContact CD2-CD2 4.41Å; I94-L138 HydrophobicContact CB-CD1 3.88Å; I94-L138 HydrophobicContact CB-CG 4.23Å; I94-L138 HydrophobicContact CG1-CD1 3.87Å; I94-L138 HydrophobicContact CG1-CD2 4.48Å; I94-L138 HydrophobicContact CG1-CG 4.17Å; Q97-L138 WeakPolarHBondContact O-CD1 3.3Å; V99-L138 HydrophobicContact CG1-CB 3.99Å; V99-L138 HydrophobicContact CG1-CD1 4.42Å; V99-L138 HydrophobicContact CG1-CD2 4.33Å; V99-L138 HydrophobicContact CG1-CG 4.48Å; V99-L138 HydrophobicContact CG2-CD1 3.98Å; V99-L138 HydrophobicContact CG2-CD2 3.73Å; V99-L138 HydrophobicContact CG2-CG 4.36Å; W117-L138 PolarHBondContact NE1-O 2.75Å; G122-L138 CarbonylContact C-O 3.51Å; G122-L138 VanDerWaalsContact CA-O 3.27Å; G122-L138 WeakPolarHBondContact CA-O 3.47Å; G122-L138 PolarHBondContact O-N 3.04Å; G122-L138 VanDerWaalsContact O-O 3.06Å; A124-L138 HydrophobicContact CB-CD2 3.69Å; L138-Q140 VanDerWaalsContact C-N 3.29Å; L138-Q140 PolarHBondContact O-N 2.82Å; L138-Q140 VanDerWaalsContact O-N 3.16Å | ||
| 139 | R | 98.5 | Very high | 98.6 | Very high | 65 Ų | 65 | 59.7 Ų | 59.7 | 25% | 0.245 | 33% | 0.333 | C | S | . | . | trans | 54.9 | 34.7 | 167.5 | -62.4 | -74.6 | -76.1 | -174.5 | -20.8 | 115.5 | I94 G95 Q97 W117 G141 Y142 | I94-R139 HydrophobicContact CB-CB 4.31Å; I94-R139 HydrophobicContact CB-CG 3.99Å; I94-R139 HydrophobicContact CG2-CB 3.84Å; I94-R139 HydrophobicContact CG2-CG 3.86Å; I94-R139 VanDerWaalsContact O-CG 3.24Å; I94-R139 WeakPolarHBondContact O-CG 3.09Å; G95-R139 PolarHBondContact O-NH2 2.75Å; Q97-R139 HydrophobicContact CB-CG 3.85Å; Q97-R139 HydrophobicContact CG-CG 4.23Å; W117-R139 HydrophobicContact CZ2-CB 3.98Å; W117-R139 WeakPolarHBondContact CZ2-O 3.28Å; R139-G141 PolarHBondContact O-N 2.86Å; R139-Y142 HydrophobicContact CB-CD1 4.5Å; R139-Y142 HydrophobicContact CB-CG 4.33Å; R139-Y142 VanDerWaalsContact CZ-CD2 3.42Å; R139-Y142 WeakPolarHBondContact O-CB 3.46Å; R139-Y142 PolarHBondContact O-N 2.91Å | ||
| 140 | Q | 98.8 | Very high | 98.6 | Very high | 142 Ų | 142 | 56.8 Ų | 56.8 | 66% | 0.664 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | 132.2 | 174.2 | -172.7 | -179 | 21.4 | 0 | 0 | 111.4 | S119 S120 L138 Y142 | S119-Q140 CarbonylContact O-C 3.48Å; S119-Q140 WeakPolarHBondContact O-CA 3.47Å; S120-Q140 WeakPolarHBondContact O-CG 3.35Å; S120-Q140 PolarHBondContact O-NE2 2.76Å; L138-Q140 VanDerWaalsContact C-N 3.29Å; L138-Q140 PolarHBondContact O-N 2.82Å; L138-Q140 VanDerWaalsContact O-N 3.16Å; Q140-Y142 VanDerWaalsContact C-N 3.26Å; Q140-Y142 PolarHBondContact O-N 3.09Å |
| 141 | G | 98.6 | Very high | 98.6 | Very high | 57 Ų | 57 | 56.2 Ų | 56.2 | 59% | 0.588 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 1.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | S119 R139 | S119-G141 PolarHBondContact O-N 2.92Å; S119-G141 WeakPolarHBondContact OG-CA 3.15Å; R139-G141 PolarHBondContact O-N 2.86Å |
| 142 | Y | 98.7 | Very high | 98.6 | Very high | 35 Ų | 35 | 52.2 Ų | 52.2 | 14% | 0.137 | 29% | 0.287 | C | S | . | . | trans | -74.7 | 161.9 | 177.1 | -171.2 | -116.1 | 0 | 0 | 0 | 112 | K76 E79 I94 W117 S119 R139 Q140 V144 | K76-Y142 PolarHBondContact NZ-OH 2.93Å; E79-Y142 VanDerWaalsContact CD-OH 3.22Å; E79-Y142 VanDerWaalsContact OE1-CE1 3.25Å; E79-Y142 WeakPolarHBondContact OE1-CE1 3.27Å; E79-Y142 PolarHBondContact OE1-OH 2.97Å; E79-Y142 PolarHBondContact OE2-OH 2.9Å; I94-Y142 HydrophobicContact CG2-CD1 3.65Å; I94-Y142 HydrophobicContact CG2-CE1 4.17Å; W117-Y142 WeakPolarHBondContact CH2-O 3.46Å; S119-Y142 VanDerWaalsContact CB-O 3.24Å; S119-Y142 WeakPolarHBondContact CB-O 3.32Å; S119-Y142 PolarHBondContact OG-N 2.74Å; S119-Y142 PolarHBondContact OG-O 2.86Å; R139-Y142 HydrophobicContact CB-CD1 4.5Å; R139-Y142 HydrophobicContact CB-CG 4.33Å; R139-Y142 VanDerWaalsContact CZ-CD2 3.42Å; R139-Y142 WeakPolarHBondContact O-CB 3.46Å; R139-Y142 PolarHBondContact O-N 2.91Å; Q140-Y142 VanDerWaalsContact C-N 3.26Å; Q140-Y142 PolarHBondContact O-N 3.09Å; Y142-V144 HydrophobicContact CD1-CG2 4.5Å | ||
| 143 | S | 98.5 | Very high | 98.6 | Very high | 42 Ų | 42 | 49 Ų | 49 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | trans | -127.1 | 118.2 | 172.2 | -57.5 | 0 | 0 | 0 | 0 | 107.9 | Q50 E145 | Q50-S143 PolarHBondContact NE2-OG 3.35Å; Q50-S143 PolarHBondContact OE1-OG 3.08Å; S143-E145 PolarHBondContact O-N 2.92Å | ||
| 144 | V | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -68.5 | 122.2 | 176.6 | -178 | 0 | 0 | 0 | 0 | 107.6 | P48 L49 Y71 E79 L80 I94 W117 Y142 | P48-V144 CarbonylContact C-O 3.51Å; P48-V144 WeakPolarHBondContact CA-O 3.42Å; P48-V144 WeakPolarHBondContact CB-O 3.47Å; L49-V144 HydrophobicContact CB-CB 4.17Å; L49-V144 PolarHBondContact N-O 2.97Å; L49-V144 PolarHBondContact O-N 2.88Å; Y71-V144 HydrophobicContact CE1-CG1 3.92Å; E79-V144 HydrophobicContact CG-CG1 3.98Å; E79-V144 WeakPolarHBondContact OE1-CA 3.38Å; L80-V144 HydrophobicContact CB-CG1 4.19Å; L80-V144 HydrophobicContact CD1-CG1 4.49Å; I94-V144 HydrophobicContact CD1-CG2 4.28Å; I94-V144 HydrophobicContact CG2-CG2 4.05Å; W117-V144 HydrophobicContact CE3-CG2 4.25Å; W117-V144 HydrophobicContact CH2-CG2 4.48Å; W117-V144 HydrophobicContact CZ3-CG2 3.87Å; Y142-V144 HydrophobicContact CD1-CG2 4.5Å |
| 145 | E | 98.4 | Very high | 98.6 | Very high | 62 Ų | 62 | 42.5 Ų | 42.5 | 29% | 0.29 | 23% | 0.227 | S | C | . | . | trans | -63.3 | 147.8 | -172.1 | -77.2 | -170.2 | 175.9 | 0 | 0 | 113.2 | Y71 T73 K76 E79 S143 | Y71-E145 WeakPolarHBondContact CE1-O 3.14Å; Y71-E145 PolarHBondContact OH-O 2.9Å; T73-E145 WeakPolarHBondContact CB-OE2 3.32Å; T73-E145 HydrophobicContact CG2-CB 3.65Å; T73-E145 WeakPolarHBondContact CG2-O 3.34Å; T73-E145 PolarHBondContact OG1-OE2 2.63Å; K76-E145 HydrophobicContact CD-CG 4.37Å; K76-E145 WeakPolarHBondContact CD-OE2 3.35Å; K76-E145 WeakPolarHBondContact CE-OE1 3.38Å; K76-E145 VanDerWaalsContact NZ-CD 3.25Å; K76-E145 IonicContact NZ-OE1 2.76Å; K76-E145 PolarHBondContact NZ-OE1 2.72Å; K76-E145 IonicContact NZ-OE2 2.92Å; E79-E145 HydrophobicContact CG-CB 4.33Å; E79-E145 PolarHBondContact OE1-N 2.87Å; S143-E145 PolarHBondContact O-N 2.92Å | ||
| 146 | A | 98.2 | Very high | 98.6 | Very high | 11 Ų | 11 | 37.1 Ų | 37.1 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -81.8 | -179.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L45 E46 K47 T73 | L45-A146 WeakPolarHBondContact O-CB 3.43Å; E46-A146 VanDerWaalsContact C-CB 3.48Å; E46-A146 WeakPolarHBondContact O-CB 3.25Å; K47-A146 VanDerWaalsContact C-CB 3.47Å; T73-A146 WeakPolarHBondContact CG2-O 3.36Å |
| 147 | H | 97.9 | Very high | 98.5 | Very high | 116 Ų | 116 | 37.3 Ų | 37.3 | 54% | 0.537 | 21% | 0.208 | S | C | . | . | S | Bend | trans | 59.4 | 50.8 | -180 | -47.7 | 89.5 | 0 | 0 | 0 | 114.2 | L45 E46 Y159 | L45-H147 PolarHBondContact O-N 3.27Å; E46-H147 PolarHBondContact O-CE1 2.96Å; E46-H147 VanDerWaalsContact O-CE1 3.32Å; H147-Y159 WeakPolarHBondContact O-CE2 3.04Å; H147-Y159 PolarHBondContact O-OH 3.1Å |
| 148 | P | 98.4 | Very high | 98.4 | Very high | 18 Ų | 18 | 36.6 Ų | 36.6 | 12% | 0.117 | 20% | 0.195 | C | C | . | . | trans | -77 | 160.5 | -173.2 | 33.6 | -38.3 | 0 | 0 | 0 | 114.9 | T43 Y71 N72 T73 I150 | T43-P148 HydrophobicContact CG2-CG 4.2Å; Y71-P148 HydrophobicContact CD1-CB 3.89Å; Y71-P148 HydrophobicContact CD2-CB 3.64Å; Y71-P148 HydrophobicContact CD2-CG 4.01Å; Y71-P148 HydrophobicContact CE1-CB 3.58Å; Y71-P148 HydrophobicContact CE1-CG 4.36Å; Y71-P148 HydrophobicContact CE2-CB 3.32Å; Y71-P148 HydrophobicContact CE2-CG 3.36Å; Y71-P148 HydrophobicContact CG-CB 3.89Å; N72-P148 CarbonylContact O-C 3.49Å; N72-P148 WeakPolarHBondContact O-CA 3.49Å; T73-P148 HydrophobicContact CG2-CB 4.48Å; P148-I150 HydrophobicContact CB-CD1 4.43Å; P148-I150 HydrophobicContact CB-CG1 3.82Å; P148-I150 HydrophobicContact CG-CD1 3.88Å; P148-I150 HydrophobicContact CG-CG1 3.78Å | ||
| 149 | K | 98.6 | Very high | 98.3 | Very high | 91 Ų | 91 | 40 Ų | 40 | 40% | 0.396 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 117.9 | 148 | -71 | -69.2 | -179.5 | -176.4 | 0 | 108.3 | N72 Q156 Y159 | N72-K149 PolarHBondContact N-O 2.9Å; N72-K149 VanDerWaalsContact N-O 3.08Å; N72-K149 PolarHBondContact O-N 3.15Å; K149-Q156 PolarHBondContact O-NE2 2.95Å; K149-Q156 PolarHBondContact O-OE1 2.92Å; K149-Y159 HydrophobicContact CB-CD2 4.11Å; K149-Y159 HydrophobicContact CB-CE2 4.02Å; K149-Y159 HydrophobicContact CG-CD1 4.01Å; K149-Y159 HydrophobicContact CG-CD2 3.8Å; K149-Y159 HydrophobicContact CG-CE1 3.74Å; K149-Y159 HydrophobicContact CG-CE2 3.55Å; K149-Y159 HydrophobicContact CG-CG 4.04Å |
| 150 | I | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 124.7 | -179.9 | -53.8 | -179.6 | 0 | 0 | 0 | 108.1 | N40 L41 T43 F69 S70 Y71 P148 L202 | N40-I150 CarbonylContact C-O 3.57Å; N40-I150 WeakPolarHBondContact CA-O 3.25Å; L41-I150 HydrophobicContact CB-CB 4.03Å; L41-I150 HydrophobicContact CB-CG2 3.92Å; L41-I150 HydrophobicContact CD1-CG2 3.97Å; L41-I150 HydrophobicContact CG-CG2 4.21Å; L41-I150 PolarHBondContact N-O 2.83Å; T43-I150 HydrophobicContact CG2-CD1 3.73Å; F69-I150 HydrophobicContact CD2-CG2 4.17Å; F69-I150 HydrophobicContact CE1-CG2 4.11Å; F69-I150 HydrophobicContact CE2-CG2 3.36Å; F69-I150 HydrophobicContact CZ-CD1 4.32Å; F69-I150 HydrophobicContact CZ-CG2 3.33Å; S70-I150 CarbonylContact O-C 3.6Å; S70-I150 WeakPolarHBondContact O-CA 3.27Å; Y71-I150 HydrophobicContact CD2-CD1 3.78Å; Y71-I150 HydrophobicContact CD2-CG1 3.64Å; Y71-I150 HydrophobicContact CE2-CD1 4.07Å; Y71-I150 HydrophobicContact CE2-CG1 4.22Å; Y71-I150 HydrophobicContact CG-CG1 4.32Å; P148-I150 HydrophobicContact CB-CD1 4.43Å; P148-I150 HydrophobicContact CB-CG1 3.82Å; P148-I150 HydrophobicContact CG-CD1 3.88Å; P148-I150 HydrophobicContact CG-CG1 3.78Å; I150-L202 HydrophobicContact CD1-CD1 4.05Å |
| 151 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 132.7 | -174 | 177.3 | 0 | 0 | 0 | 0 | 110.5 | H38 V39 S70 Q154 Q156 F163 | H38-V151 HydrophobicContact CB-CG1 3.91Å; V39-V151 WeakPolarHBondContact O-CA 3.3Å; S70-V151 PolarHBondContact N-O 2.85Å; S70-V151 PolarHBondContact O-N 2.86Å; V151-Q154 HydrophobicContact CG1-CB 4.06Å; V151-Q156 HydrophobicContact CB-CG 4.06Å; V151-Q156 HydrophobicContact CG2-CG 3.82Å; V151-F163 HydrophobicContact CG1-CE1 4.08Å; V151-F163 HydrophobicContact CG1-CZ 4.27Å; V151-F163 HydrophobicContact CG2-CE1 4.42Å |
| 152 | L | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 148.9 | 162.8 | -55.2 | -178.7 | 0 | 0 | 0 | 109.7 | F28 F30 H38 V39 L41 L68 F69 Q154 I173 L176 | F28-L152 HydrophobicContact CD2-CD1 4.11Å; F28-L152 HydrophobicContact CE2-CD1 4.48Å; F30-L152 HydrophobicContact CZ-CB 3.8Å; H38-L152 VanDerWaalsContact CA-O 3.27Å; H38-L152 WeakPolarHBondContact CA-O 3.44Å; H38-L152 VanDerWaalsContact CB-O 3.32Å; H38-L152 WeakPolarHBondContact CB-O 3.36Å; V39-L152 HydrophobicContact CB-CB 4.34Å; V39-L152 PolarHBondContact N-O 3.39Å; V39-L152 PolarHBondContact O-N 2.62Å; L41-L152 HydrophobicContact CD1-CD1 3.99Å; L41-L152 HydrophobicContact CD1-CD2 4.15Å; L41-L152 HydrophobicContact CD1-CG 3.91Å; L41-L152 HydrophobicContact CD2-CD1 4.16Å; L41-L152 HydrophobicContact CD2-CG 4.49Å; L41-L152 HydrophobicContact CG-CD1 4.32Å; L41-L152 HydrophobicContact CG-CG 4.17Å; L68-L152 WeakPolarHBondContact O-CD2 3.49Å; F69-L152 HydrophobicContact CD2-CD2 3.89Å; L152-Q154 VanDerWaalsContact C-N 3.34Å; L152-I173 HydrophobicContact CD1-CG2 4.17Å; L152-L176 HydrophobicContact CD1-CD1 4.15Å; L152-L176 HydrophobicContact CD2-CD1 3.9Å |
| 153 | G | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 94.3 | -23.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | F30 S168 F169 | F30-G153 VanDerWaalsContact CE1-CA 3.45Å; G153-S168 WeakPolarHBondContact O-CA 3.37Å; G153-F169 PolarHBondContact O-N 2.87Å |
| 154 | Q | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -140.6 | 157 | -175.7 | -58.2 | -66.4 | -22.2 | 0 | 0 | 111.8 | S34 D37 H38 S67 V151 L152 F163 | S34-Q154 PolarHBondContact O-NE2 3.21Å; S34-Q154 PolarHBondContact O-OE1 3.42Å; D37-Q154 PolarHBondContact O-NE2 2.98Å; D37-Q154 VanDerWaalsContact O-NE2 3.08Å; H38-Q154 HydrophobicContact CB-CB 4.42Å; H38-Q154 HydrophobicContact CB-CG 3.76Å; S67-Q154 PolarHBondContact OG-O 2.03Å; V151-Q154 HydrophobicContact CG1-CB 4.06Å; L152-Q154 VanDerWaalsContact C-N 3.34Å; Q154-F163 HydrophobicContact CB-CB 4.03Å; Q154-F163 HydrophobicContact CB-CD1 3.42Å; Q154-F163 VanDerWaalsContact CB-CD1 3.42Å; Q154-F163 HydrophobicContact CB-CD2 4.16Å; Q154-F163 HydrophobicContact CB-CE1 3.77Å; Q154-F163 HydrophobicContact CB-CE2 4.48Å; Q154-F163 HydrophobicContact CB-CG 3.61Å; Q154-F163 HydrophobicContact CB-CZ 4.3Å; Q154-F163 HydrophobicContact CG-CB 4.18Å; Q154-F163 HydrophobicContact CG-CD1 4.13Å; Q154-F163 HydrophobicContact CG-CD2 3.94Å; Q154-F163 HydrophobicContact CG-CE1 4.45Å; Q154-F163 HydrophobicContact CG-CE2 4.31Å; Q154-F163 HydrophobicContact CG-CG 3.83Å |
| 155 | E | 98.6 | Very high | 98 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | trans | -97.1 | 134.8 | 169.5 | -151.7 | -60 | 102.6 | 0 | 0 | 108.7 | S70 Y83 F163 Q167 | S70-E155 PolarHBondContact OG-OE1 3.46Å; Y83-E155 HydrophobicContact CD2-CG 4.33Å; Y83-E155 HydrophobicContact CE2-CG 4.04Å; E155-F163 WeakPolarHBondContact O-CA 3.39Å; E155-F163 WeakPolarHBondContact O-CD1 3.3Å; E155-Q167 HydrophobicContact CB-CB 3.81Å | ||
| 156 | Q | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 118.1 | -174.2 | -70.6 | 173.9 | 99.7 | 0 | 0 | 111.5 | S70 N72 K149 V151 S158 F163 | S70-Q156 VanDerWaalsContact C-NE2 3.34Å; S70-Q156 PolarHBondContact O-NE2 2.85Å; S70-Q156 WeakPolarHBondContact OG-CB 3.45Å; S70-Q156 WeakPolarHBondContact OG-CG 3.29Å; S70-Q156 PolarHBondContact OG-N 3.29Å; S70-Q156 PolarHBondContact OG-NE2 3.22Å; N72-Q156 HydrophobicContact CB-CB 4.42Å; N72-Q156 WeakPolarHBondContact ND2-CB 3.48Å; N72-Q156 PolarHBondContact ND2-O 2.9Å; K149-Q156 PolarHBondContact O-NE2 2.95Å; K149-Q156 PolarHBondContact O-OE1 2.92Å; V151-Q156 HydrophobicContact CB-CG 4.06Å; V151-Q156 HydrophobicContact CG2-CG 3.82Å; Q156-S158 WeakPolarHBondContact CB-O 3.37Å; Q156-F163 HydrophobicContact CG-CD1 4.36Å; Q156-F163 HydrophobicContact CG-CE1 3.77Å |
| 157 | D | 96.6 | Very high | 98 | Very high | 77 Ų | 77 | 43.8 Ų | 43.8 | 41% | 0.412 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 5.6 | 166.6 | -74.1 | -41.7 | 0 | 0 | 0 | 113.4 | G161 K162 | D157-G161 PolarHBondContact N-O 3.1Å; D157-K162 HydrophobicContact CB-CB 3.74Å; D157-K162 HydrophobicContact CB-CD 4.32Å; D157-K162 WeakPolarHBondContact CB-O 3.05Å; D157-K162 PolarHBondContact N-O 2.77Å |
| 158 | S | 96.1 | Very high | 98.1 | Very high | 34 Ų | 34 | 38.2 Ų | 38.2 | 24% | 0.238 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 176.7 | 172.8 | 63.6 | 0 | 0 | 0 | 0 | 111.3 | N72 Q156 G160 G161 K162 | N72-S158 PolarHBondContact ND2-O 3.06Å; Q156-S158 WeakPolarHBondContact CB-O 3.37Å; S158-G160 PolarHBondContact O-N 3.06Å; S158-G161 PolarHBondContact N-O 3.19Å; S158-G161 VanDerWaalsContact N-O 3.1Å; S158-G161 PolarHBondContact OG-O 3.16Å; S158-K162 WeakPolarHBondContact OG-CG 3.22Å; S158-K162 PolarHBondContact OG-N 3.3Å |
| 159 | Y | 97.1 | Very high | 98.1 | Very high | 83 Ų | 83 | 37.5 Ų | 37.5 | 33% | 0.325 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | 96.9 | 177.5 | -170.3 | -116.6 | 0 | 0 | 0 | 111 | N72 Q74 H147 K149 | N72-Y159 WeakPolarHBondContact O-CE2 3.21Å; Q74-Y159 VanDerWaalsContact OE1-CD1 3.23Å; H147-Y159 WeakPolarHBondContact O-CE2 3.04Å; H147-Y159 PolarHBondContact O-OH 3.1Å; K149-Y159 HydrophobicContact CB-CD2 4.11Å; K149-Y159 HydrophobicContact CB-CE2 4.02Å; K149-Y159 HydrophobicContact CG-CD1 4.01Å; K149-Y159 HydrophobicContact CG-CD2 3.8Å; K149-Y159 HydrophobicContact CG-CE1 3.74Å; K149-Y159 HydrophobicContact CG-CE2 3.55Å; K149-Y159 HydrophobicContact CG-CG 4.04Å |
| 160 | G | 95.6 | Very high | 98.1 | Very high | 27 Ų | 27 | 34.1 Ų | 34.1 | 28% | 0.278 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 15.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | S158 | S158-G160 PolarHBondContact O-N 3.06Š|
| 161 | G | 96.1 | Very high | 98.1 | Very high | 13 Ų | 13 | 34.8 Ų | 34.8 | 13% | 0.134 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.7 | -156.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | D157 S158 | D157-G161 PolarHBondContact N-O 3.1Å; S158-G161 PolarHBondContact N-O 3.19Å; S158-G161 VanDerWaalsContact N-O 3.1Å; S158-G161 PolarHBondContact OG-O 3.16Å |
| 162 | K | 97.6 | Very high | 98.1 | Very high | 150 Ų | 150 | 37 Ų | 37 | 65% | 0.652 | 20% | 0.197 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 52.8 | 58.7 | -166 | -66.8 | -173.9 | -169.4 | 174.8 | 0 | 111 | D157 S158 | D157-K162 HydrophobicContact CB-CB 3.74Å; D157-K162 HydrophobicContact CB-CD 4.32Å; D157-K162 WeakPolarHBondContact CB-O 3.05Å; D157-K162 PolarHBondContact N-O 2.77Å; S158-K162 WeakPolarHBondContact OG-CG 3.22Å; S158-K162 PolarHBondContact OG-N 3.3Å |
| 163 | F | 98.6 | Very high | 98.1 | Very high | 36 Ų | 36 | 37 Ų | 37 | 16% | 0.158 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 148.5 | 177.5 | -51.3 | -45.4 | 0 | 0 | 0 | 110.8 | V35 H38 V151 Q154 E155 Q156 | V35-F163 HydrophobicContact CG2-CB 3.81Å; V35-F163 WeakPolarHBondContact CG2-O 3.46Å; V35-F163 WeakPolarHBondContact O-CD2 3.42Å; H38-F163 AromaticContact CD2-CZ 3.92Å; H38-F163 AromaticContact CE1-CE2 3.61Å; H38-F163 AromaticContact CG-CE2 3.98Å; H38-F163 AromaticContact ND1-CE2 3.6Å; H38-F163 AromaticContact NE2-CZ 3.94Å; V151-F163 HydrophobicContact CG1-CE1 4.08Å; V151-F163 HydrophobicContact CG1-CZ 4.27Å; V151-F163 HydrophobicContact CG2-CE1 4.42Å; Q154-F163 HydrophobicContact CB-CB 4.03Å; Q154-F163 HydrophobicContact CB-CD1 3.42Å; Q154-F163 VanDerWaalsContact CB-CD1 3.42Å; Q154-F163 HydrophobicContact CB-CD2 4.16Å; Q154-F163 HydrophobicContact CB-CE1 3.77Å; Q154-F163 HydrophobicContact CB-CE2 4.48Å; Q154-F163 HydrophobicContact CB-CG 3.61Å; Q154-F163 HydrophobicContact CB-CZ 4.3Å; Q154-F163 HydrophobicContact CG-CB 4.18Å; Q154-F163 HydrophobicContact CG-CD1 4.13Å; Q154-F163 HydrophobicContact CG-CD2 3.94Å; Q154-F163 HydrophobicContact CG-CE1 4.45Å; Q154-F163 HydrophobicContact CG-CE2 4.31Å; Q154-F163 HydrophobicContact CG-CG 3.83Å; E155-F163 WeakPolarHBondContact O-CA 3.39Å; E155-F163 WeakPolarHBondContact O-CD1 3.3Å; Q156-F163 HydrophobicContact CG-CD1 4.36Å; Q156-F163 HydrophobicContact CG-CE1 3.77Å |
| 164 | D | 98.5 | Very high | 98.1 | Very high | 65 Ų | 65 | 37 Ų | 37 | 35% | 0.348 | 20% | 0.196 | S | C | . | . | trans | -111.4 | 123.7 | 166.6 | -178 | 0.7 | 0 | 0 | 0 | 110.2 | S166 Q167 S168 | D164-S166 VanDerWaalsContact CG-OG 3.22Å; D164-S166 PolarHBondContact O-N 2.99Å; D164-S166 VanDerWaalsContact O-N 3.16Å; D164-S166 WeakPolarHBondContact OD1-CB 3.42Å; D164-S166 PolarHBondContact OD1-N 3.33Å; D164-S166 PolarHBondContact OD1-OG 2.98Å; D164-S166 PolarHBondContact OD2-OG 2.99Å; D164-Q167 HydrophobicContact CB-CG 4.22Å; D164-Q167 PolarHBondContact O-N 2.79Å; D164-S168 PolarHBondContact O-N 3.34Å | ||
| 165 | K | 98.4 | Very high | 98.1 | Very high | 102 Ų | 102 | 37.9 Ų | 37.9 | 44% | 0.443 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -53.3 | -34.8 | 175.3 | -171.6 | 178.3 | 179.6 | -166.5 | 0 | 112.2 | E33 V35 Q167 S168 | E33-K165 HydrophobicContact CG-CD 4.31Å; E33-K165 HydrophobicContact CG-CG 3.69Å; E33-K165 WeakPolarHBondContact OE1-CE 3.31Å; E33-K165 IonicContact OE1-NZ 2.93Å; V35-K165 HydrophobicContact CB-CB 4.2Å; K165-Q167 PolarHBondContact O-N 2.77Å; K165-S168 PolarHBondContact O-N 2.84Å; K165-S168 PolarHBondContact O-OG 2.83Å |
| 166 | S | 98.6 | Very high | 98.1 | Very high | 61 Ų | 61 | 37.8 Ų | 37.8 | 43% | 0.427 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -66.2 | -18.3 | -178.8 | 86.5 | 0 | 0 | 0 | 0 | 113.4 | R64 D164 | R64-S166 WeakPolarHBondContact CD-O 3.32Å; R64-S166 PolarHBondContact NH1-O 3.25Å; D164-S166 VanDerWaalsContact CG-OG 3.22Å; D164-S166 PolarHBondContact O-N 2.99Å; D164-S166 VanDerWaalsContact O-N 3.16Å; D164-S166 WeakPolarHBondContact OD1-CB 3.42Å; D164-S166 PolarHBondContact OD1-N 3.33Å; D164-S166 PolarHBondContact OD1-OG 2.98Å; D164-S166 PolarHBondContact OD2-OG 2.99Å |
| 167 | Q | 98.7 | Very high | 98.1 | Very high | 39 Ų | 39 | 38.3 Ų | 38.3 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -110.1 | 1.2 | -178.6 | -52.7 | 179.4 | -63.3 | 0 | 0 | 112.7 | Y66 S67 Y83 E155 D164 K165 | Y66-Q167 WeakPolarHBondContact CA-O 3.3Å; S67-Q167 PolarHBondContact N-O 2.86Å; Y83-Q167 HydrophobicContact CE2-CB 4.32Å; Y83-Q167 WeakPolarHBondContact OH-CG 3.11Å; Y83-Q167 PolarHBondContact OH-NE2 3.22Å; E155-Q167 HydrophobicContact CB-CB 3.81Å; D164-Q167 HydrophobicContact CB-CG 4.22Å; D164-Q167 PolarHBondContact O-N 2.79Å; K165-Q167 PolarHBondContact O-N 2.77Å |
| 168 | S | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -65.4 | 146 | -177.5 | 88 | 0 | 0 | 0 | 0 | 111.3 | S34 R64 G153 D164 K165 | S34-S168 WeakPolarHBondContact O-CB 3.33Å; S34-S168 PolarHBondContact O-OG 3.37Å; R64-S168 PolarHBondContact NH1-O 2.92Å; R64-S168 PolarHBondContact NH2-O 2.75Å; R64-S168 PolarHBondContact NH2-OG 3.02Å; G153-S168 WeakPolarHBondContact O-CA 3.37Å; D164-S168 PolarHBondContact O-N 3.34Å; K165-S168 PolarHBondContact O-N 2.84Å; K165-S168 PolarHBondContact O-OG 2.83Å | ||
| 169 | F | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.009 | 17% | 0.174 | C | C | . | . | trans | -86.5 | 139.7 | 170.3 | 177.2 | -96.9 | 0 | 0 | 0 | 110.4 | F30 A58 T60 Y66 S67 L68 G153 I173 | F30-F169 HydrophobicContact CB-CD1 4.18Å; F30-F169 AromaticContact CD2-CD1 3.56Å; F30-F169 HydrophobicContact CD2-CD1 3.56Å; F30-F169 AromaticContact CD2-CE1 3.78Å; F30-F169 HydrophobicContact CD2-CE1 3.78Å; F30-F169 HydrophobicContact CE2-CD1 4.18Å; F30-F169 HydrophobicContact CE2-CE1 4.41Å; F30-F169 HydrophobicContact CG-CD1 4Å; A58-F169 HydrophobicContact CB-CZ 4.46Å; T60-F169 HydrophobicContact CG2-CE2 3.85Å; Y66-F169 AromaticContact CD2-CD2 3.78Å; Y66-F169 HydrophobicContact CD2-CD2 3.78Å; Y66-F169 HydrophobicContact CD2-CE2 4.48Å; Y66-F169 HydrophobicContact CE2-CD2 4.04Å; Y66-F169 HydrophobicContact CE2-CE2 4.29Å; Y66-F169 HydrophobicContact CG-CD2 4.48Å; S67-F169 WeakPolarHBondContact O-CB 3.32Å; L68-F169 HydrophobicContact CD2-CD2 4.2Å; L68-F169 HydrophobicContact CD2-CE2 4.08Å; G153-F169 PolarHBondContact O-N 2.87Å; F169-I173 HydrophobicContact CD1-CD1 3.83Å; F169-I173 HydrophobicContact CD1-CG1 4.25Å; F169-I173 HydrophobicContact CE1-CD1 3.72Å; F169-I173 HydrophobicContact CE1-CG1 3.6Å; F169-I173 HydrophobicContact CG-CD1 4.3Å; F169-I173 HydrophobicContact CZ-CD1 4.09Å; F169-I173 HydrophobicContact CZ-CG1 3.76Å | ||
| 170 | V | 98.9 | Very high | 98.4 | Very high | 21 Ų | 21 | 33.4 Ų | 33.4 | 13% | 0.127 | 18% | 0.179 | C | C | . | . | trans | -131.5 | 126.5 | 173.1 | -176.3 | 0 | 0 | 0 | 0 | 106.6 | F30 R32 E33 T60 L62 | F30-V170 WeakPolarHBondContact O-CA 3.35Å; F30-V170 WeakPolarHBondContact O-CG1 3.44Å; R32-V170 VanDerWaalsContact C-CG2 3.49Å; E33-V170 HydrophobicContact CB-CG2 3.96Å; T60-V170 VanDerWaalsContact CB-O 3.25Å; T60-V170 WeakPolarHBondContact CB-O 3.25Å; T60-V170 PolarHBondContact OG1-O 3.16Å; L62-V170 HydrophobicContact CD1-CB 3.86Å; L62-V170 HydrophobicContact CD1-CG2 4.08Å; L62-V170 HydrophobicContact CD2-CB 4.15Å; L62-V170 HydrophobicContact CD2-CG2 4.32Å; L62-V170 HydrophobicContact CG-CB 4.08Å | ||
| 171 | G | 98.9 | Very high | 98.6 | Very high | 15 Ų | 15 | 34.2 Ų | 34.2 | 16% | 0.155 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.8 | -149.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V29 F30 Y59 | V29-G171 WeakPolarHBondContact CA-O 3.04Å; F30-G171 PolarHBondContact N-O 2.67Å; F30-G171 PolarHBondContact O-N 2.76Å; Y59-G171 CarbonylContact O-C 3.54Å; Y59-G171 VanDerWaalsContact O-CA 3.29Å; Y59-G171 WeakPolarHBondContact O-CA 3.44Å |
| 172 | E | 98.9 | Very high | 98.7 | Very high | 47 Ų | 47 | 36 Ų | 36 | 22% | 0.22 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 134.3 | -169.6 | -56.1 | -178 | -133 | 0 | 0 | 110.8 | V27 F28 V29 A58 Y59 W222 | V27-E172 HydrophobicContact CB-CB 4.38Å; V27-E172 HydrophobicContact CG2-CB 4.28Å; V27-E172 WeakPolarHBondContact CG2-OE2 3.49Å; F28-E172 CarbonylContact O-C 3.49Å; F28-E172 VanDerWaalsContact O-CA 3.29Å; F28-E172 WeakPolarHBondContact O-CA 3.4Å; V29-E172 HydrophobicContact CG1-CG 4.21Å; V29-E172 HydrophobicContact CG2-CG 4.12Å; A58-E172 CarbonylContact C-O 3.55Å; A58-E172 VanDerWaalsContact CA-O 3.24Å; A58-E172 WeakPolarHBondContact CA-O 3.39Å; Y59-E172 PolarHBondContact N-O 3.15Å; Y59-E172 PolarHBondContact O-N 3.02Å; E172-W222 HydrophobicContact CB-CZ2 3.65Å; E172-W222 VanDerWaalsContact CD-NE1 3.31Å; E172-W222 PolarHBondContact OE2-NE1 2.84Å |
| 173 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134.6 | 173.6 | -69.4 | 168.4 | 0 | 0 | 0 | 109.3 | V27 F28 F30 R57 A58 L152 F169 | V27-I173 CarbonylContact C-O 3.59Å; V27-I173 VanDerWaalsContact CA-O 3.29Å; V27-I173 WeakPolarHBondContact CA-O 3.35Å; V27-I173 WeakPolarHBondContact CB-O 3.29Å; F28-I173 PolarHBondContact N-O 2.86Å; F28-I173 PolarHBondContact O-N 3.3Å; F30-I173 HydrophobicContact CE2-CB 4.48Å; F30-I173 HydrophobicContact CE2-CD1 4.19Å; R57-I173 WeakPolarHBondContact O-CA 3.48Å; A58-I173 HydrophobicContact CB-CG1 4.27Å; L152-I173 HydrophobicContact CD1-CG2 4.17Å; F169-I173 HydrophobicContact CD1-CD1 3.83Å; F169-I173 HydrophobicContact CD1-CG1 4.25Å; F169-I173 HydrophobicContact CE1-CD1 3.72Å; F169-I173 HydrophobicContact CE1-CG1 3.6Å; F169-I173 HydrophobicContact CG-CD1 4.3Å; F169-I173 HydrophobicContact CZ-CD1 4.09Å; F169-I173 HydrophobicContact CZ-CG1 3.76Å |
| 174 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 179.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | R57 L176 | R57-G174 PolarHBondContact N-O 2.89Å; R57-G174 PolarHBondContact O-N 2.91Å; G174-L176 PolarHBondContact O-N 2.82Å |
| 175 | D | 98.7 | Very high | 98.8 | Very high | 21 Ų | 21 | 29.4 Ų | 29.4 | 11% | 0.112 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 49.2 | 44 | 177.2 | -68.1 | -14.8 | 0 | 0 | 0 | 112.9 | F56 R57 Y177 | F56-D175 WeakPolarHBondContact CA-O 3.27Å; R57-D175 VanDerWaalsContact CD-OD2 3.27Å; R57-D175 WeakPolarHBondContact CD-OD2 3.33Å; R57-D175 HydrophobicContact CG-CB 4.09Å; R57-D175 IonicContact CZ-OD2 3.85Å; R57-D175 IonicContact NE-OD2 2.79Å; R57-D175 PolarHBondContact NE-OD2 3.2Å; D175-Y177 HydrophobicContact CB-CE2 4Å; D175-Y177 WeakPolarHBondContact O-CD2 3.29Å; D175-Y177 VanDerWaalsContact O-CE2 3.23Å; D175-Y177 WeakPolarHBondContact O-CE2 3.4Å |
| 176 | L | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 124.2 | -177.9 | -173.4 | 153 | 0 | 0 | 0 | 112.1 | L41 L54 C55 F56 F69 L152 G174 L202 W204 | L41-L176 HydrophobicContact CD1-CD1 4.08Å; L41-L176 HydrophobicContact CD1-CD2 4.01Å; L54-L176 HydrophobicContact CD1-CD1 4.39Å; L54-L176 HydrophobicContact CD1-CD2 4.15Å; L54-L176 HydrophobicContact CD1-CG 4.07Å; C55-L176 CarbonylContact O-C 3.21Å; C55-L176 VanDerWaalsContact O-CA 3.3Å; C55-L176 WeakPolarHBondContact O-CA 3.33Å; F56-L176 HydrophobicContact CB-CB 3.85Å; F56-L176 HydrophobicContact CB-CD1 4.13Å; F56-L176 HydrophobicContact CB-CG 3.98Å; F56-L176 HydrophobicContact CD1-CD1 4.45Å; F56-L176 HydrophobicContact CG-CD1 4.42Å; F69-L176 HydrophobicContact CD2-CD1 4.18Å; F69-L176 HydrophobicContact CE2-CD1 4.47Å; L152-L176 HydrophobicContact CD1-CD1 4.15Å; L152-L176 HydrophobicContact CD2-CD1 3.9Å; G174-L176 PolarHBondContact O-N 2.82Å; L176-L202 HydrophobicContact CD2-CB 3.97Å; L176-L202 HydrophobicContact CD2-CD1 3.82Å; L176-W204 HydrophobicContact CB-CE3 3.61Å; L176-W204 HydrophobicContact CB-CZ3 3.81Å; L176-W204 WeakPolarHBondContact O-CB 3.29Å; L176-W204 PolarHBondContact O-N 3.36Å; L176-W204 VanDerWaalsContact O-N 3.16Å |
| 177 | Y | 98.9 | Very high | 98.8 | Very high | 11 Ų | 11 | 30.3 Ų | 30.3 | 4% | 0.043 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 141.8 | 179.9 | -57.3 | -89.8 | 0 | 0 | 0 | 110.5 | L54 C55 D175 W179 P196 A199 L202 D203 W204 R205 | L54-Y177 WeakPolarHBondContact CA-O 3.29Å; C55-Y177 PolarHBondContact N-O 3.46Å; C55-Y177 PolarHBondContact O-N 2.81Å; D175-Y177 HydrophobicContact CB-CE2 4Å; D175-Y177 WeakPolarHBondContact O-CD2 3.29Å; D175-Y177 VanDerWaalsContact O-CE2 3.23Å; D175-Y177 WeakPolarHBondContact O-CE2 3.4Å; Y177-W179 HydrophobicContact CG-CH2 4.05Å; Y177-W179 HydrophobicContact CG-CZ2 4.43Å; Y177-P196 HydrophobicContact CD1-CB 4.39Å; Y177-P196 HydrophobicContact CD1-CG 4.16Å; Y177-P196 HydrophobicContact CD2-CB 4.25Å; Y177-P196 HydrophobicContact CD2-CG 4.01Å; Y177-P196 HydrophobicContact CE1-CB 4.41Å; Y177-P196 HydrophobicContact CE1-CG 3.7Å; Y177-P196 HydrophobicContact CE2-CB 4.3Å; Y177-P196 HydrophobicContact CE2-CG 3.58Å; Y177-P196 HydrophobicContact CG-CB 4.31Å; Y177-P196 HydrophobicContact CG-CG 4.3Å; Y177-A199 HydrophobicContact CD1-CB 4.08Å; Y177-L202 CarbonylContact C-O 3.55Å; Y177-L202 VanDerWaalsContact CA-O 3.32Å; Y177-L202 WeakPolarHBondContact CA-O 3.43Å; Y177-D203 WeakPolarHBondContact CE1-OD1 3.35Å; Y177-W204 HydrophobicContact CD1-CB 4.32Å; Y177-W204 HydrophobicContact CE1-CB 3.69Å; Y177-W204 HydrophobicContact CE2-CB 3.95Å; Y177-W204 VanDerWaalsContact CZ-CB 3.47Å; Y177-R205 HydrophobicContact CE1-CG 4.3Å |
| 178 | M | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 132.4 | 177.7 | -165.8 | -177 | 177.1 | 0 | 0 | 111.5 | L49 F52 T53 L54 F69 L80 I201 L202 | L49-M178 HydrophobicContact CD1-CE 3.84Å; F52-M178 HydrophobicContact CB-CE 4.01Å; F52-M178 HydrophobicContact CD2-CE 4.17Å; F52-M178 HydrophobicContact CG-CE 4.1Å; T53-M178 CarbonylContact O-C 3.57Å; T53-M178 VanDerWaalsContact O-CA 3.29Å; T53-M178 WeakPolarHBondContact O-CA 3.39Å; T53-M178 WeakPolarHBondContact O-CG 3.13Å; L54-M178 HydrophobicContact CB-CG 4.34Å; L54-M178 HydrophobicContact CD1-CB 4.14Å; L54-M178 HydrophobicContact CD1-CG 4.34Å; F69-M178 HydrophobicContact CZ-SD 4.13Å; L80-M178 HydrophobicContact CD1-CE 3.88Å; M178-I201 HydrophobicContact CB-CB 4.07Å; M178-I201 HydrophobicContact CB-CG2 4.44Å; M178-I201 HydrophobicContact CE-CD1 4.11Å; M178-I201 HydrophobicContact CG-CB 4.12Å; M178-I201 HydrophobicContact CG-CD1 4.1Å; M178-I201 HydrophobicContact CG-CG2 4.3Å; M178-I201 WeakPolarHBondContact O-CB 3.48Å; M178-I201 PolarHBondContact O-N 3.02Å; M178-I201 HydrophobicContact SD-CB 4.36Å; M178-I201 HydrophobicContact SD-CD1 4.3Å; M178-I201 HydrophobicContact SD-CG2 3.87Å; M178-L202 HydrophobicContact CB-CB 3.89Å; M178-L202 HydrophobicContact CB-CD1 4.18Å; M178-L202 HydrophobicContact CB-CG 4.28Å; M178-L202 PolarHBondContact N-O 3.29Å; M178-L202 PolarHBondContact O-N 2.91Å; M178-L202 HydrophobicContact SD-CD1 4.22Å |
| 179 | W | 98.9 | Very high | 98.8 | Very high | 8 Ų | 8 | 31.6 Ų | 31.6 | 3% | 0.03 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 152.6 | -179.9 | -60.3 | -99.3 | 0 | 0 | 0 | 110.8 | F52 T53 C55 Y177 S181 L183 P196 V197 P198 A199 N200 | F52-W179 CarbonylContact C-O 3.41Å; F52-W179 WeakPolarHBondContact CA-O 3.45Å; F52-W179 VanDerWaalsContact CB-O 3.29Å; F52-W179 WeakPolarHBondContact CB-O 3.24Å; T53-W179 HydrophobicContact CG2-CE3 4.26Å; T53-W179 PolarHBondContact N-O 2.87Å; T53-W179 PolarHBondContact O-N 2.93Å; C55-W179 HydrophobicContact CB-CH2 4.36Å; C55-W179 HydrophobicContact CB-CZ3 3.95Å; Y177-W179 HydrophobicContact CG-CH2 4.05Å; Y177-W179 HydrophobicContact CG-CZ2 4.43Å; W179-S181 PolarHBondContact O-N 3.49Å; W179-L183 HydrophobicContact CB-CD2 4.15Å; W179-L183 HydrophobicContact CD2-CD1 3.8Å; W179-L183 HydrophobicContact CD2-CD2 3.99Å; W179-L183 HydrophobicContact CD2-CG 4.2Å; W179-L183 HydrophobicContact CE3-CD1 3.69Å; W179-L183 HydrophobicContact CE3-CG 4.24Å; W179-L183 HydrophobicContact CG-CD2 3.81Å; W179-L183 HydrophobicContact CG-CG 4.45Å; W179-L183 HydrophobicContact CH2-CD1 3.87Å; W179-L183 HydrophobicContact CZ2-CD1 4Å; W179-L183 HydrophobicContact CZ3-CD1 3.74Å; W179-P196 HydrophobicContact CH2-CB 4.31Å; W179-P196 HydrophobicContact CZ2-CB 4.17Å; W179-V197 HydrophobicContact CZ2-CG2 4.04Å; W179-V197 WeakPolarHBondContact CZ2-O 3.41Å; W179-P198 PolarHBondContact NE1-O 3.22Å; W179-A199 HydrophobicContact CD2-CB 4.14Å; W179-A199 HydrophobicContact CG-CB 4.44Å; W179-A199 HydrophobicContact CZ2-CB 4.01Å; W179-N200 WeakPolarHBondContact CA-OD1 3.3Å |
| 180 | N | 98.6 | Very high | 98.8 | Very high | 82 Ų | 82 | 33.1 Ų | 33.1 | 44% | 0.439 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -87.7 | 20.5 | 172.5 | 70 | -5.3 | 0 | 0 | 0 | 114 | L49 N51 N200 I201 | L49-N180 HydrophobicContact CD2-CB 3.85Å; N51-N180 CarbonylContact O-C 3.57Å; N51-N180 WeakPolarHBondContact O-CA 3.32Å; N180-N200 VanDerWaalsContact CG-ND2 3.29Å; N180-N200 PolarHBondContact N-OD1 2.98Å; N180-N200 PolarHBondContact ND2-ND2 3.26Å; N180-N200 PolarHBondContact OD1-ND2 3.34Å; N180-N200 PolarHBondContact OD1-OD1 2.94Å; N180-I201 HydrophobicContact CB-CD1 3.85Å; N180-I201 HydrophobicContact CB-CG1 4.16Å |
| 181 | S | 98.8 | Very high | 98.8 | Very high | 45 Ų | 45 | 32.4 Ų | 32.4 | 32% | 0.315 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -135.1 | 161.5 | -179.6 | 57.4 | 0 | 0 | 0 | 0 | 110.7 | F52 T53 W179 | F52-S181 CarbonylContact C-O 3.56Å; T53-S181 WeakPolarHBondContact CB-O 3.24Å; T53-S181 PolarHBondContact N-O 3.48Å; T53-S181 PolarHBondContact OG1-O 3.48Å; W179-S181 PolarHBondContact O-N 3.49Å |
| 182 | V | 98.9 | Very high | 98.8 | Very high | 49 Ų | 49 | 35.9 Ų | 35.9 | 30% | 0.297 | 19% | 0.191 | S | C | . | . | P | Polyproline II helix | trans | -81.5 | 116.8 | 166.5 | 179.8 | 0 | 0 | 0 | 0 | 107.8 | N51 T53 E118 | N51-V182 HydrophobicContact CB-CG2 4.34Å; T53-V182 WeakPolarHBondContact OG1-CA 3.13Å; E118-V182 HydrophobicContact CB-CG2 3.9Å; E118-V182 HydrophobicContact CG-CG2 4.28Å |
| 183 | L | 98.9 | Very high | 98.8 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -72.8 | 140.7 | 177.2 | -61 | -167.8 | 0 | 0 | 0 | 110.6 | T53 W179 E187 I188 | T53-L183 HydrophobicContact CG2-CB 4.19Å; T53-L183 HydrophobicContact CG2-CD1 3.97Å; T53-L183 HydrophobicContact CG2-CG 3.77Å; T53-L183 PolarHBondContact OG1-N 3.22Å; W179-L183 HydrophobicContact CB-CD2 4.15Å; W179-L183 HydrophobicContact CD2-CD1 3.8Å; W179-L183 HydrophobicContact CD2-CD2 3.99Å; W179-L183 HydrophobicContact CD2-CG 4.2Å; W179-L183 HydrophobicContact CE3-CD1 3.69Å; W179-L183 HydrophobicContact CE3-CG 4.24Å; W179-L183 HydrophobicContact CG-CD2 3.81Å; W179-L183 HydrophobicContact CG-CG 4.45Å; W179-L183 HydrophobicContact CH2-CD1 3.87Å; W179-L183 HydrophobicContact CZ2-CD1 4Å; W179-L183 HydrophobicContact CZ3-CD1 3.74Å; L183-E187 HydrophobicContact CB-CB 4.18Å; L183-E187 HydrophobicContact CD1-CB 4.24Å; L183-E187 WeakPolarHBondContact CD2-OE2 3.3Å; L183-I188 HydrophobicContact CB-CD1 4.5Å; L183-I188 HydrophobicContact CB-CG1 3.91Å |
| 184 | P | 98.7 | Very high | 98.7 | Very high | 43 Ų | 43 | 41.8 Ų | 41.8 | 28% | 0.279 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -72.9 | 161.9 | 170 | 34.8 | -37.6 | 0 | 0 | 0 | 111.2 | E186 E187 I188 | P184-E186 VanDerWaalsContact C-N 3.28Å; P184-E186 VanDerWaalsContact CB-OE1 3.32Å; P184-E186 WeakPolarHBondContact CB-OE1 3.39Å; P184-E186 HydrophobicContact CG-CG 4.26Å; P184-E186 VanDerWaalsContact CG-OE1 3.31Å; P184-E186 WeakPolarHBondContact CG-OE1 3.23Å; P184-E186 PolarHBondContact O-N 3.3Å; P184-E186 VanDerWaalsContact O-N 3.16Å; P184-E187 HydrophobicContact CG-CB 4.2Å; P184-E187 HydrophobicContact CG-CG 3.87Å; P184-E187 PolarHBondContact O-N 2.94Å; P184-I188 PolarHBondContact O-N 2.91Å |
| 185 | P | 98.8 | Very high | 98.6 | Very high | 64 Ų | 64 | 45.9 Ų | 45.9 | 42% | 0.416 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -51.2 | -40.4 | -175.5 | -31.1 | 37.9 | 0 | 0 | 0 | 115.3 | W127 E187 I188 L189 | W127-P185 HydrophobicContact CH2-CB 3.72Å; W127-P185 HydrophobicContact CH2-CG 4.08Å; W127-P185 HydrophobicContact CZ2-CB 4.11Å; W127-P185 HydrophobicContact CZ2-CG 4.07Å; P185-E187 VanDerWaalsContact C-N 3.33Å; P185-E187 PolarHBondContact O-N 3.44Å; P185-I188 PolarHBondContact O-N 2.75Å; P185-L189 WeakPolarHBondContact O-CG 3.46Å; P185-L189 PolarHBondContact O-N 3.34Å |
| 186 | E | 98.6 | Very high | 98.6 | Very high | 118 Ų | 118 | 45.1 Ų | 45.1 | 55% | 0.551 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -63.9 | -35.4 | -179.8 | 60 | -83.6 | -164.5 | 0 | 0 | 113.1 | P184 S190 | P184-E186 VanDerWaalsContact C-N 3.28Å; P184-E186 VanDerWaalsContact CB-OE1 3.32Å; P184-E186 WeakPolarHBondContact CB-OE1 3.39Å; P184-E186 HydrophobicContact CG-CG 4.26Å; P184-E186 VanDerWaalsContact CG-OE1 3.31Å; P184-E186 WeakPolarHBondContact CG-OE1 3.23Å; P184-E186 PolarHBondContact O-N 3.3Å; P184-E186 VanDerWaalsContact O-N 3.16Å; E186-S190 WeakPolarHBondContact O-CB 3.06Å; E186-S190 PolarHBondContact O-N 3.42Å; E186-S190 PolarHBondContact O-OG 3.31Å |
| 187 | E | 98.8 | Very high | 98.6 | Very high | 63 Ų | 63 | 47.1 Ų | 47.1 | 29% | 0.294 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -77.1 | -34.1 | 177.5 | -68.5 | -176.7 | -171.1 | 0 | 0 | 111 | L183 P184 P185 S190 A191 V197 | L183-E187 HydrophobicContact CB-CB 4.18Å; L183-E187 HydrophobicContact CD1-CB 4.24Å; L183-E187 WeakPolarHBondContact CD2-OE2 3.3Å; P184-E187 HydrophobicContact CG-CB 4.2Å; P184-E187 HydrophobicContact CG-CG 3.87Å; P184-E187 PolarHBondContact O-N 2.94Å; P185-E187 VanDerWaalsContact C-N 3.33Å; P185-E187 PolarHBondContact O-N 3.44Å; E187-S190 WeakPolarHBondContact O-CB 3.38Å; E187-S190 PolarHBondContact O-N 3.26Å; E187-A191 PolarHBondContact O-N 3.22Å; E187-V197 HydrophobicContact CB-CG2 4.38Å; E187-V197 HydrophobicContact CG-CG1 4Å; E187-V197 HydrophobicContact CG-CG2 4.41Å |
| 188 | I | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 170.7 | -66.1 | 173.7 | 0 | 0 | 0 | 110.8 | C114 W127 L183 P184 P185 S190 A191 Y192 | C114-I188 HydrophobicContact CB-CG2 4.14Å; W127-I188 HydrophobicContact CB-CG2 3.88Å; W127-I188 HydrophobicContact CD2-CD1 4.07Å; W127-I188 HydrophobicContact CD2-CG2 3.84Å; W127-I188 HydrophobicContact CE3-CG2 3.99Å; W127-I188 HydrophobicContact CG-CD1 4.03Å; W127-I188 HydrophobicContact CG-CG2 3.8Å; W127-I188 HydrophobicContact CZ2-CD1 4.34Å; L183-I188 HydrophobicContact CB-CD1 4.5Å; L183-I188 HydrophobicContact CB-CG1 3.91Å; P184-I188 PolarHBondContact O-N 2.91Å; P185-I188 PolarHBondContact O-N 2.75Å; I188-S190 VanDerWaalsContact C-N 3.33Å; I188-A191 PolarHBondContact O-N 3.44Å; I188-Y192 PolarHBondContact O-N 2.85Å |
| 189 | L | 98.8 | Very high | 98.5 | Very high | 64 Ų | 64 | 52.5 Ų | 52.5 | 34% | 0.335 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.4 | -37.2 | 175.7 | -70.3 | 176.6 | 0 | 0 | 0 | 111.7 | P185 Y192 Q193 | P185-L189 WeakPolarHBondContact O-CG 3.46Å; P185-L189 PolarHBondContact O-N 3.34Å; L189-Y192 WeakPolarHBondContact O-CB 3.47Å; L189-Y192 PolarHBondContact O-N 3.48Å; L189-Q193 WeakPolarHBondContact O-CB 3.48Å; L189-Q193 VanDerWaalsContact O-CG 3.26Å; L189-Q193 WeakPolarHBondContact O-CG 3.48Å; L189-Q193 PolarHBondContact O-N 3.08Å |
| 190 | S | 98.6 | Very high | 98.4 | Very high | 35 Ų | 35 | 56.7 Ų | 56.7 | 25% | 0.245 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63 | -42 | 174.6 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | E186 E187 I188 Q193 G194 T195 | E186-S190 WeakPolarHBondContact O-CB 3.06Å; E186-S190 PolarHBondContact O-N 3.42Å; E186-S190 PolarHBondContact O-OG 3.31Å; E187-S190 WeakPolarHBondContact O-CB 3.38Å; E187-S190 PolarHBondContact O-N 3.26Å; I188-S190 VanDerWaalsContact C-N 3.33Å; S190-Q193 PolarHBondContact O-N 2.87Å; S190-G194 PolarHBondContact O-N 3.06Å; S190-T195 WeakPolarHBondContact CB-O 3.15Å; S190-T195 CarbonylContact O-C 3.23Å; S190-T195 VanDerWaalsContact O-C 3.23Å; S190-T195 WeakPolarHBondContact O-CA 3.33Å; S190-T195 PolarHBondContact O-N 2.85Å; S190-T195 PolarHBondContact O-OG1 3.22Å |
| 191 | A | 98.6 | Very high | 98.4 | Very high | 6 Ų | 6 | 53.5 Ų | 53.5 | 5% | 0.05 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | C55 E187 I188 Q193 G194 P196 | C55-A191 HydrophobicContact CB-CB 4.48Å; E187-A191 PolarHBondContact O-N 3.22Å; I188-A191 PolarHBondContact O-N 3.44Å; A191-Q193 VanDerWaalsContact C-N 3.26Å; A191-Q193 PolarHBondContact O-N 3.05Å; A191-G194 PolarHBondContact O-N 3.46Å; A191-P196 HydrophobicContact CB-CB 4.03Å |
| 192 | Y | 98.7 | Very high | 98.4 | Very high | 87 Ų | 87 | 51.6 Ų | 51.6 | 34% | 0.341 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.1 | -33.8 | 176 | 172.7 | -122.8 | 0 | 0 | 0 | 113.2 | R57 H112 N129 I188 L189 G194 | R57-Y192 PolarHBondContact NH2-O 2.78Å; H112-Y192 HydrophobicContact CB-CD2 3.59Å; H112-Y192 HydrophobicContact CB-CE2 4.07Å; H112-Y192 VanDerWaalsContact CE1-CA 3.47Å; H112-Y192 WeakPolarHBondContact CE1-CA 3.37Å; H112-Y192 PolarHBondContact CE1-N 2.87Å; H112-Y192 AromaticContact CG-CD2 3.68Å; H112-Y192 AromaticContact ND1-CD2 3.72Å; N129-Y192 HydrophobicContact CB-CE2 4.27Å; I188-Y192 PolarHBondContact O-N 2.85Å; L189-Y192 WeakPolarHBondContact O-CB 3.47Å; L189-Y192 PolarHBondContact O-N 3.48Å; Y192-G194 VanDerWaalsContact C-N 3.28Å; Y192-G194 PolarHBondContact O-N 2.73Å |
| 193 | Q | 98.4 | Very high | 98.4 | Very high | 137 Ų | 137 | 50.7 Ų | 50.7 | 64% | 0.64 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -1.2 | 178.2 | -69.8 | 169.2 | -1.4 | 0 | 0 | 113.7 | L189 S190 A191 | L189-Q193 WeakPolarHBondContact O-CB 3.48Å; L189-Q193 VanDerWaalsContact O-CG 3.26Å; L189-Q193 WeakPolarHBondContact O-CG 3.48Å; L189-Q193 PolarHBondContact O-N 3.08Å; S190-Q193 PolarHBondContact O-N 2.87Å; A191-Q193 VanDerWaalsContact C-N 3.26Å; A191-Q193 PolarHBondContact O-N 3.05Å |
| 194 | G | 97.4 | Very high | 98.4 | Very high | 34 Ų | 34 | 50.3 Ų | 50.3 | 35% | 0.351 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | 10.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S190 A191 Y192 P196 | S190-G194 PolarHBondContact O-N 3.06Å; A191-G194 PolarHBondContact O-N 3.46Å; Y192-G194 VanDerWaalsContact C-N 3.28Å; Y192-G194 PolarHBondContact O-N 2.73Å; G194-P196 WeakPolarHBondContact O-CD 3.43Å |
| 195 | T | 97.9 | Very high | 98.4 | Very high | 86 Ų | 86 | 52.9 Ų | 52.9 | 53% | 0.528 | 29% | 0.287 | S | S | . | . | trans | -120 | 55.6 | 176.4 | 57.1 | 0 | 0 | 0 | 0 | 111.7 | S190 | S190-T195 WeakPolarHBondContact CB-O 3.15Å; S190-T195 CarbonylContact O-C 3.23Å; S190-T195 VanDerWaalsContact O-C 3.23Å; S190-T195 WeakPolarHBondContact O-CA 3.33Å; S190-T195 PolarHBondContact O-N 2.85Å; S190-T195 PolarHBondContact O-OG1 3.22Å | ||
| 196 | P | 97.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 52 Ų | 52 | 4% | 0.039 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 144.6 | 177.8 | 25.6 | -34.6 | 0 | 0 | 0 | 111.3 | Y177 W179 A191 G194 R205 | Y177-P196 HydrophobicContact CD1-CB 4.39Å; Y177-P196 HydrophobicContact CD1-CG 4.16Å; Y177-P196 HydrophobicContact CD2-CB 4.25Å; Y177-P196 HydrophobicContact CD2-CG 4.01Å; Y177-P196 HydrophobicContact CE1-CB 4.41Å; Y177-P196 HydrophobicContact CE1-CG 3.7Å; Y177-P196 HydrophobicContact CE2-CB 4.3Å; Y177-P196 HydrophobicContact CE2-CG 3.58Å; Y177-P196 HydrophobicContact CG-CB 4.31Å; Y177-P196 HydrophobicContact CG-CG 4.3Å; W179-P196 HydrophobicContact CH2-CB 4.31Å; W179-P196 HydrophobicContact CZ2-CB 4.17Å; A191-P196 HydrophobicContact CB-CB 4.03Å; G194-P196 WeakPolarHBondContact O-CD 3.43Å; P196-R205 PolarHBondContact O-NH1 3.28Å |
| 197 | V | 98 | Very high | 98.3 | Very high | 42 Ų | 42 | 46.4 Ų | 46.4 | 26% | 0.255 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 153.5 | 164.8 | -66.2 | 0 | 0 | 0 | 0 | 109.8 | W179 E187 A199 | W179-V197 HydrophobicContact CZ2-CG2 4.04Å; W179-V197 WeakPolarHBondContact CZ2-O 3.41Å; E187-V197 HydrophobicContact CB-CG2 4.38Å; E187-V197 HydrophobicContact CG-CG1 4Å; E187-V197 HydrophobicContact CG-CG2 4.41Å; V197-A199 PolarHBondContact O-N 2.88Å |
| 198 | P | 98.1 | Very high | 98.2 | Very high | 109 Ų | 109 | 44.3 Ų | 44.3 | 71% | 0.708 | 25% | 0.25 | S | S | * | . | P | Polyproline II helix | trans | -54 | 133.7 | 180 | -26.5 | 35.3 | 0 | 0 | 0 | 112.3 | W179 | W179-P198 PolarHBondContact NE1-O 3.22Š|
| 199 | A | 98.4 | Very high | 98.2 | Very high | 16 Ų | 16 | 46.6 Ų | 46.6 | 13% | 0.132 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -101.6 | 140.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y177 W179 V197 L202 D203 | Y177-A199 HydrophobicContact CD1-CB 4.08Å; W179-A199 HydrophobicContact CD2-CB 4.14Å; W179-A199 HydrophobicContact CG-CB 4.44Å; W179-A199 HydrophobicContact CZ2-CB 4.01Å; V197-A199 PolarHBondContact O-N 2.88Å; A199-L202 WeakPolarHBondContact CB-O 3.49Å; A199-D203 HydrophobicContact CB-CB 4.15Å; A199-D203 PolarHBondContact N-OD2 3.35Å |
| 200 | N | 97.9 | Very high | 98.2 | Very high | 96 Ų | 96 | 46.9 Ų | 46.9 | 51% | 0.513 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -110.5 | -3.9 | -170 | 65.9 | -1 | 0 | 0 | 0 | 115 | W179 N180 | W179-N200 WeakPolarHBondContact CA-OD1 3.3Å; N180-N200 VanDerWaalsContact CG-ND2 3.29Å; N180-N200 PolarHBondContact N-OD1 2.98Å; N180-N200 PolarHBondContact ND2-ND2 3.26Å; N180-N200 PolarHBondContact OD1-ND2 3.34Å; N180-N200 PolarHBondContact OD1-OD1 2.94Å |
| 201 | I | 98.4 | Very high | 98.2 | Very high | 15 Ų | 15 | 48 Ų | 48 | 8% | 0.077 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -107.2 | -53.9 | 171 | -55.2 | 179.5 | 0 | 0 | 0 | 110.3 | T43 L49 M178 N180 | T43-I201 WeakPolarHBondContact CB-O 3.47Å; T43-I201 HydrophobicContact CG2-CG2 4.12Å; T43-I201 PolarHBondContact OG1-O 2.82Å; L49-I201 HydrophobicContact CD1-CD1 3.96Å; L49-I201 HydrophobicContact CD2-CD1 3.61Å; L49-I201 HydrophobicContact CG-CD1 4.45Å; M178-I201 HydrophobicContact CB-CB 4.07Å; M178-I201 HydrophobicContact CB-CG2 4.44Å; M178-I201 HydrophobicContact CE-CD1 4.11Å; M178-I201 HydrophobicContact CG-CB 4.12Å; M178-I201 HydrophobicContact CG-CD1 4.1Å; M178-I201 HydrophobicContact CG-CG2 4.3Å; M178-I201 WeakPolarHBondContact O-CB 3.48Å; M178-I201 PolarHBondContact O-N 3.02Å; M178-I201 HydrophobicContact SD-CB 4.36Å; M178-I201 HydrophobicContact SD-CD1 4.3Å; M178-I201 HydrophobicContact SD-CG2 3.87Å; N180-I201 HydrophobicContact CB-CD1 3.85Å; N180-I201 HydrophobicContact CB-CG1 4.16Å |
| 202 | L | 98.8 | Very high | 98.2 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 130.1 | 176.6 | -66.8 | 167.8 | 0 | 0 | 0 | 108.1 | L41 F69 I150 L176 Y177 M178 A199 L207 | L41-L202 HydrophobicContact CB-CD1 4.39Å; L41-L202 HydrophobicContact CB-CD2 3.98Å; L41-L202 HydrophobicContact CD1-CD1 3.88Å; F69-L202 HydrophobicContact CE2-CD1 4.08Å; F69-L202 HydrophobicContact CZ-CD1 4.34Å; I150-L202 HydrophobicContact CD1-CD1 4.05Å; L176-L202 HydrophobicContact CD2-CB 3.97Å; L176-L202 HydrophobicContact CD2-CD1 3.82Å; Y177-L202 CarbonylContact C-O 3.55Å; Y177-L202 VanDerWaalsContact CA-O 3.32Å; Y177-L202 WeakPolarHBondContact CA-O 3.43Å; M178-L202 HydrophobicContact CB-CB 3.89Å; M178-L202 HydrophobicContact CB-CD1 4.18Å; M178-L202 HydrophobicContact CB-CG 4.28Å; M178-L202 PolarHBondContact N-O 3.29Å; M178-L202 PolarHBondContact O-N 2.91Å; M178-L202 HydrophobicContact SD-CD1 4.22Å; A199-L202 WeakPolarHBondContact CB-O 3.49Å; L202-L207 HydrophobicContact CB-CD1 4.44Å; L202-L207 HydrophobicContact CD2-CD1 4.21Å |
| 203 | D | 98.5 | Very high | 98.2 | Very high | 29 Ų | 29 | 50.4 Ų | 50.4 | 16% | 0.155 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 119.3 | 179 | -167 | -39.6 | 0 | 0 | 0 | 109.5 | Y177 A199 R205 A206 L207 | Y177-D203 WeakPolarHBondContact CE1-OD1 3.35Å; A199-D203 HydrophobicContact CB-CB 4.15Å; A199-D203 PolarHBondContact N-OD2 3.35Å; D203-R205 PolarHBondContact O-N 2.89Å; D203-R205 VanDerWaalsContact O-N 3.15Å; D203-R205 VanDerWaalsContact OD1-CB 3.3Å; D203-R205 WeakPolarHBondContact OD1-CB 3.48Å; D203-R205 PolarHBondContact OD1-N 3.04Å; D203-A206 CarbonylContact O-C 3.06Å; D203-A206 PolarHBondContact O-N 2.79Å; D203-L207 WeakPolarHBondContact O-CA 3.3Å; D203-L207 WeakPolarHBondContact O-CB 3.33Å; D203-L207 PolarHBondContact O-N 3.29Å |
| 204 | W | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -58.9 | -26.1 | -179.8 | -158.2 | -114.3 | 0 | 0 | 0 | 113.4 | L23 K26 F28 L176 Y177 A206 L207 | L23-W204 HydrophobicContact CB-CD2 4Å; L23-W204 VanDerWaalsContact CB-CE2 3.48Å; L23-W204 HydrophobicContact CB-CG 4.17Å; L23-W204 HydrophobicContact CB-CZ2 3.91Å; L23-W204 HydrophobicContact CD1-CD2 4.33Å; L23-W204 HydrophobicContact CD1-CE3 4.38Å; L23-W204 HydrophobicContact CD1-CH2 3.93Å; L23-W204 HydrophobicContact CD1-CZ2 3.82Å; L23-W204 HydrophobicContact CD1-CZ3 4.21Å; L23-W204 PolarHBondContact N-O 2.71Å; L23-W204 PolarHBondContact O-NE1 2.86Å; K26-W204 PolarHBondContact O-NE1 3.06Å; F28-W204 AromaticContact CD2-CH2 3.45Å; F28-W204 HydrophobicContact CD2-CH2 3.45Å; F28-W204 VanDerWaalsContact CD2-CH2 3.45Å; F28-W204 HydrophobicContact CD2-CZ2 4.47Å; F28-W204 HydrophobicContact CD2-CZ3 4.06Å; F28-W204 AromaticContact CE2-CH2 3.44Å; F28-W204 HydrophobicContact CE2-CH2 3.44Å; F28-W204 VanDerWaalsContact CE2-CH2 3.44Å; F28-W204 HydrophobicContact CE2-CZ2 4.49Å; F28-W204 AromaticContact CE2-CZ3 3.74Å; F28-W204 HydrophobicContact CE2-CZ3 3.74Å; F28-W204 HydrophobicContact CG-CH2 4.3Å; F28-W204 HydrophobicContact CZ-CH2 4.31Å; L176-W204 HydrophobicContact CB-CE3 3.61Å; L176-W204 HydrophobicContact CB-CZ3 3.81Å; L176-W204 WeakPolarHBondContact O-CB 3.29Å; L176-W204 PolarHBondContact O-N 3.36Å; L176-W204 VanDerWaalsContact O-N 3.16Å; Y177-W204 HydrophobicContact CD1-CB 4.32Å; Y177-W204 HydrophobicContact CE1-CB 3.69Å; Y177-W204 HydrophobicContact CE2-CB 3.95Å; Y177-W204 VanDerWaalsContact CZ-CB 3.47Å; W204-A206 VanDerWaalsContact C-N 3.31Å; W204-L207 HydrophobicContact CE3-CD2 3.68Å; W204-L207 HydrophobicContact CH2-CD2 4.46Å; W204-L207 HydrophobicContact CZ3-CD2 3.6Å |
| 205 | R | 97.9 | Very high | 98.3 | Very high | 96 Ų | 96 | 47.9 Ų | 47.9 | 36% | 0.362 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -82.1 | -12.6 | 180 | -57.6 | 174.7 | 175.2 | 156.9 | -2 | 112.6 | D22 Y177 P196 D203 | D22-R205 VanDerWaalsContact CA-O 3.3Å; D22-R205 WeakPolarHBondContact CA-O 3.45Å; D22-R205 WeakPolarHBondContact CB-O 2.96Å; Y177-R205 HydrophobicContact CE1-CG 4.3Å; P196-R205 PolarHBondContact O-NH1 3.28Å; D203-R205 PolarHBondContact O-N 2.89Å; D203-R205 VanDerWaalsContact O-N 3.15Å; D203-R205 VanDerWaalsContact OD1-CB 3.3Å; D203-R205 WeakPolarHBondContact OD1-CB 3.48Å; D203-R205 PolarHBondContact OD1-N 3.04Å |
| 206 | A | 97.4 | Very high | 98.3 | Very high | 45 Ų | 45 | 46.8 Ų | 46.8 | 37% | 0.372 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -148.1 | 59.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | H20 D203 W204 | H20-A206 HydrophobicContact CB-CB 4.1Å; H20-A206 PolarHBondContact CD2-O 3.48Å; D203-A206 CarbonylContact O-C 3.06Å; D203-A206 PolarHBondContact O-N 2.79Å; W204-A206 VanDerWaalsContact C-N 3.31Å |
| 207 | L | 97.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -90.4 | 132.1 | -172.3 | -163.3 | 70.7 | 0 | 0 | 0 | 111.1 | T21 L23 F28 L41 L202 D203 W204 Y209 | T21-L207 PolarHBondContact N-O 2.92Å; T21-L207 PolarHBondContact O-N 3.29Å; L23-L207 HydrophobicContact CD1-CB 4.28Å; L23-L207 HydrophobicContact CD1-CD2 3.64Å; F28-L207 HydrophobicContact CE2-CD2 4.04Å; F28-L207 HydrophobicContact CZ-CD2 4.25Å; L41-L207 HydrophobicContact CD2-CD1 4.46Å; L41-L207 HydrophobicContact CD2-CD2 3.92Å; L41-L207 HydrophobicContact CD2-CG 4.43Å; L202-L207 HydrophobicContact CB-CD1 4.44Å; L202-L207 HydrophobicContact CD2-CD1 4.21Å; D203-L207 WeakPolarHBondContact O-CA 3.3Å; D203-L207 WeakPolarHBondContact O-CB 3.33Å; D203-L207 PolarHBondContact O-N 3.29Å; W204-L207 HydrophobicContact CE3-CD2 3.68Å; W204-L207 HydrophobicContact CH2-CD2 4.46Å; W204-L207 HydrophobicContact CZ3-CD2 3.6Å; L207-Y209 HydrophobicContact CB-CD1 4.26Å; L207-Y209 HydrophobicContact CD2-CD1 3.97Å; L207-Y209 HydrophobicContact CD2-CG 4.44Å; L207-Y209 HydrophobicContact CG-CD1 4.14Å |
| 208 | N | 98.1 | Very high | 98.4 | Very high | 19 Ų | 19 | 52.6 Ų | 52.6 | 10% | 0.102 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 122.1 | 166.7 | -174 | 8.2 | 0 | 0 | 0 | 109.1 | F18 I42 | F18-N208 VanDerWaalsContact CB-ND2 3.3Å; F18-N208 WeakPolarHBondContact CB-ND2 3.41Å; I42-N208 HydrophobicContact CB-CB 4.1Å; I42-N208 WeakPolarHBondContact CG2-ND2 3.42Å; I42-N208 PolarHBondContact N-O 3.31Å |
| 209 | Y | 98.6 | Very high | 98.4 | Very high | 49 Ų | 49 | 51.6 Ų | 51.6 | 19% | 0.192 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 160.3 | -173.5 | 67.9 | -88.9 | 0 | 0 | 0 | 112.8 | T21 L23 F28 V39 N40 L207 I211 I217 | T21-Y209 HydrophobicContact CG2-CE1 4.23Å; L23-Y209 HydrophobicContact CD1-CD1 4.22Å; L23-Y209 HydrophobicContact CD1-CE1 3.87Å; L23-Y209 HydrophobicContact CD2-CE1 4.3Å; L23-Y209 HydrophobicContact CG-CE1 4.33Å; F28-Y209 AromaticContact CE1-CD2 3.9Å; F28-Y209 HydrophobicContact CE1-CD2 3.9Å; F28-Y209 AromaticContact CE1-CE2 3.73Å; F28-Y209 HydrophobicContact CE1-CE2 3.73Å; F28-Y209 HydrophobicContact CE1-CG 4.45Å; F28-Y209 HydrophobicContact CZ-CD1 4.03Å; F28-Y209 AromaticContact CZ-CD2 3.63Å; F28-Y209 HydrophobicContact CZ-CD2 3.63Å; F28-Y209 HydrophobicContact CZ-CE1 4.21Å; F28-Y209 AromaticContact CZ-CE2 3.85Å; F28-Y209 HydrophobicContact CZ-CE2 3.85Å; F28-Y209 AromaticContact CZ-CG 3.75Å; F28-Y209 HydrophobicContact CZ-CG 3.75Å; V39-Y209 HydrophobicContact CG1-CD2 4.1Å; V39-Y209 HydrophobicContact CG1-CG 4.33Å; N40-Y209 CarbonylContact O-C 3.55Å; N40-Y209 WeakPolarHBondContact O-CA 3.33Å; N40-Y209 WeakPolarHBondContact O-CB 3.35Å; L207-Y209 HydrophobicContact CB-CD1 4.26Å; L207-Y209 HydrophobicContact CD2-CD1 3.97Å; L207-Y209 HydrophobicContact CD2-CG 4.44Å; L207-Y209 HydrophobicContact CG-CD1 4.14Å; Y209-I211 HydrophobicContact CD2-CG1 4.1Å; Y209-I211 HydrophobicContact CE2-CD1 3.9Å; Y209-I211 HydrophobicContact CE2-CG1 3.96Å; Y209-I217 HydrophobicContact CE2-CD1 4.19Å; Y209-I217 WeakPolarHBondContact OH-CD1 3.4Å |
| 210 | E | 98.4 | Very high | 98.4 | Very high | 71 Ų | 71 | 52.4 Ų | 52.4 | 33% | 0.332 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 120.9 | 169.6 | -63.6 | 176 | -164.8 | 0 | 0 | 110.5 | V39 N40 I42 K212 | V39-E210 CarbonylContact C-O 3.57Å; V39-E210 WeakPolarHBondContact CA-O 3.27Å; N40-E210 HydrophobicContact CB-CB 4.28Å; N40-E210 PolarHBondContact N-O 3.25Å; N40-E210 PolarHBondContact O-N 2.82Å; I42-E210 HydrophobicContact CD1-CG 3.99Å; E210-K212 WeakPolarHBondContact OE2-CE 3.39Å; E210-K212 IonicContact OE2-NZ 3.68Å; E210-K212 PolarHBondContact OE2-NZ 3.43Å |
| 211 | I | 98.7 | Very high | 98.5 | Very high | 59 Ų | 59 | 53.8 Ų | 53.8 | 30% | 0.303 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 133.6 | 169.3 | -73.3 | 167.1 | 0 | 0 | 0 | 109.4 | F28 V39 Y209 V215 I217 | F28-I211 HydrophobicContact CD1-CD1 4.35Å; F28-I211 HydrophobicContact CE1-CD1 4.07Å; F28-I211 HydrophobicContact CE1-CG1 4.25Å; V39-I211 HydrophobicContact CG2-CG1 4.06Å; Y209-I211 HydrophobicContact CD2-CG1 4.1Å; Y209-I211 HydrophobicContact CE2-CD1 3.9Å; Y209-I211 HydrophobicContact CE2-CG1 3.96Å; I211-V215 HydrophobicContact CG1-CB 4.33Å; I211-V215 HydrophobicContact CG2-CB 3.8Å; I211-V215 HydrophobicContact CG2-CG2 4.34Å; I211-I217 HydrophobicContact CD1-CD1 4.09Å; I211-I217 HydrophobicContact CD1-CG1 4.11Å |
| 212 | K | 98.7 | Very high | 98.4 | Very high | 85 Ų | 85 | 54.6 Ų | 54.6 | 37% | 0.37 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 132.5 | 171.7 | -56.8 | -63.5 | -179.5 | -166.8 | 0 | 109.7 | D37 H38 E210 | D37-K212 WeakPolarHBondContact CA-O 3.37Å; H38-K212 WeakPolarHBondContact CE1-CB 3.48Å; H38-K212 PolarHBondContact N-O 3.37Å; H38-K212 PolarHBondContact O-N 2.87Å; H38-K212 VanDerWaalsContact O-O 3.08Å; E210-K212 WeakPolarHBondContact OE2-CE 3.39Å; E210-K212 IonicContact OE2-NZ 3.68Å; E210-K212 PolarHBondContact OE2-NZ 3.43Å |
| 213 | G | 98.5 | Very high | 97.7 | Very high | 58 Ų | 58 | 60.4 Ų | 60.4 | 60% | 0.598 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 74.2 | -147.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V215 | G213-V215 PolarHBondContact O-N 2.85Š|
| 214 | Y | 98.8 | Very high | 97.7 | Very high | 111 Ų | 111 | 62 Ų | 62 | 44% | 0.435 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -94.2 | 83.2 | -174.8 | -171.9 | -141.8 | 0 | 0 | 0 | 111.9 | P31 R32 D37 I216 | P31-Y214 HydrophobicContact CB-CD1 4.23Å; P31-Y214 HydrophobicContact CB-CE1 3.75Å; P31-Y214 WeakPolarHBondContact CD-O 3.44Å; P31-Y214 HydrophobicContact CG-CD1 3.92Å; P31-Y214 HydrophobicContact CG-CE1 3.66Å; P31-Y214 HydrophobicContact CG-CE2 4.47Å; P31-Y214 HydrophobicContact CG-CG 4.44Å; R32-Y214 HydrophobicContact CG-CD1 4.28Å; D37-Y214 VanDerWaalsContact CG-N 3.33Å; D37-Y214 PolarHBondContact OD1-N 2.97Å; Y214-I216 HydrophobicContact CD2-CD1 3.99Å; Y214-I216 HydrophobicContact CD2-CG1 4.09Å; Y214-I216 HydrophobicContact CE2-CD1 3.7Å; Y214-I216 HydrophobicContact CE2-CG1 3.64Å |
| 215 | V | 98.8 | Very high | 97.6 | Very high | 7 Ų | 7 | 65.3 Ų | 65.3 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | trans | -125.1 | 133.4 | 170.1 | -171.4 | 0 | 0 | 0 | 0 | 108.4 | F28 V29 F30 D37 V39 I211 G213 | F28-V215 HydrophobicContact CB-CG1 3.93Å; F28-V215 HydrophobicContact CD1-CG1 4.16Å; F28-V215 HydrophobicContact CG-CG1 4.34Å; V29-V215 WeakPolarHBondContact O-CA 3.26Å; V29-V215 WeakPolarHBondContact O-CG1 3.45Å; F30-V215 HydrophobicContact CD1-CG1 4.23Å; F30-V215 HydrophobicContact CD1-CG2 3.77Å; F30-V215 HydrophobicContact CE1-CG1 4Å; F30-V215 HydrophobicContact CE1-CG2 3.71Å; F30-V215 HydrophobicContact CZ-CG1 4.19Å; D37-V215 HydrophobicContact CB-CG2 4.32Å; V39-V215 HydrophobicContact CG2-CB 4.27Å; V39-V215 HydrophobicContact CG2-CG1 3.75Å; V39-V215 HydrophobicContact CG2-CG2 4.2Å; I211-V215 HydrophobicContact CG1-CB 4.33Å; I211-V215 HydrophobicContact CG2-CB 3.8Å; I211-V215 HydrophobicContact CG2-CG2 4.34Å; G213-V215 PolarHBondContact O-N 2.85Å | ||
| 216 | I | 98.7 | Very high | 97.6 | Very high | 63 Ų | 63 | 63.6 Ų | 63.6 | 32% | 0.323 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 137.7 | -174.6 | -54.7 | -64 | 0 | 0 | 0 | 109.9 | V29 P31 Y214 K218 | V29-I216 WeakPolarHBondContact CB-O 3.45Å; V29-I216 WeakPolarHBondContact CG2-O 3.34Å; V29-I216 PolarHBondContact N-O 3.48Å; V29-I216 PolarHBondContact O-N 3.36Å; P31-I216 HydrophobicContact CG-CG1 4.46Å; Y214-I216 HydrophobicContact CD2-CD1 3.99Å; Y214-I216 HydrophobicContact CD2-CG1 4.09Å; Y214-I216 HydrophobicContact CE2-CD1 3.7Å; Y214-I216 HydrophobicContact CE2-CG1 3.64Å; I216-K218 HydrophobicContact CG2-CD 4.42Å; I216-K218 HydrophobicContact CG2-CG 4.15Å |
| 217 | I | 98.8 | Very high | 97.6 | Very high | 54 Ų | 54 | 64.6 Ų | 64.6 | 28% | 0.277 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 127.7 | 172 | -60.4 | 169.1 | 0 | 0 | 0 | 108.9 | L23 K26 V27 F28 Y209 I211 | L23-I217 HydrophobicContact CD2-CD1 4.14Å; L23-I217 HydrophobicContact CD2-CG2 4.36Å; K26-I217 HydrophobicContact CB-CG2 3.87Å; K26-I217 HydrophobicContact CD-CG2 3.75Å; K26-I217 HydrophobicContact CG-CG2 4.24Å; V27-I217 VanDerWaalsContact O-CA 3.3Å; V27-I217 WeakPolarHBondContact O-CA 3.3Å; F28-I217 HydrophobicContact CD1-CD1 4.5Å; F28-I217 HydrophobicContact CD1-CG1 3.79Å; F28-I217 HydrophobicContact CE1-CD1 3.97Å; F28-I217 HydrophobicContact CE1-CG1 3.77Å; Y209-I217 HydrophobicContact CE2-CD1 4.19Å; Y209-I217 WeakPolarHBondContact OH-CD1 3.4Å; I211-I217 HydrophobicContact CD1-CD1 4.09Å; I211-I217 HydrophobicContact CD1-CG1 4.11Å |
| 218 | K | 98.8 | Very high | 97.6 | Very high | 116 Ų | 116 | 68.6 Ų | 68.6 | 50% | 0.504 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 158 | 176.9 | -74 | -64.2 | -178 | 178.5 | 0 | 112 | K26 V27 V29 I216 | K26-K218 CarbonylContact C-O 3.48Å; K26-K218 WeakPolarHBondContact CA-O 3.42Å; K26-K218 WeakPolarHBondContact CB-O 3.15Å; V27-K218 HydrophobicContact CG2-CB 4.28Å; V27-K218 WeakPolarHBondContact CG2-O 3.24Å; V27-K218 PolarHBondContact N-O 3.04Å; V27-K218 PolarHBondContact O-N 2.62Å; V27-K218 VanDerWaalsContact O-N 3.08Å; V29-K218 HydrophobicContact CG2-CB 3.85Å; V29-K218 HydrophobicContact CG2-CG 3.89Å; I216-K218 HydrophobicContact CG2-CD 4.42Å; I216-K218 HydrophobicContact CG2-CG 4.15Å |
| 219 | P | 98.7 | Very high | 97.6 | Very high | 87 Ų | 87 | 71.9 Ų | 71.9 | 57% | 0.565 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 141.4 | 169 | -22.4 | 34.1 | 0 | 0 | 0 | 111.4 | G25 V221 | G25-P219 CarbonylContact O-C 3.6Å; G25-P219 WeakPolarHBondContact O-CA 3.16Å; P219-V221 HydrophobicContact CB-CG1 4.45Å |
| 220 | L | 98.4 | Very high | 97.5 | Very high | 34 Ų | 34 | 73.5 Ų | 73.5 | 18% | 0.178 | 40% | 0.398 | C | S | . | . | trans | -77.2 | 123.1 | 172.5 | -179.7 | 59.6 | 0 | 0 | 0 | 109.7 | G25 V27 W222 V223 | G25-L220 PolarHBondContact O-N 2.85Å; V27-L220 HydrophobicContact CG1-CB 4Å; V27-L220 HydrophobicContact CG1-CD1 3.39Å; V27-L220 HydrophobicContact CG1-CG 4.2Å; L220-W222 HydrophobicContact CD1-CD2 3.57Å; L220-W222 HydrophobicContact CD1-CE3 3.88Å; L220-W222 HydrophobicContact CD1-CG 4.2Å; L220-W222 HydrophobicContact CD1-CH2 3.86Å; L220-W222 HydrophobicContact CD1-CZ2 3.49Å; L220-W222 VanDerWaalsContact CD1-CZ2 3.49Å; L220-W222 HydrophobicContact CD1-CZ3 4.04Å; L220-V223 HydrophobicContact CD1-CG2 3.74Å; L220-V223 HydrophobicContact CD2-CB 4.43Å; L220-V223 HydrophobicContact CD2-CG2 3.46Å; L220-V223 VanDerWaalsContact CD2-CG2 3.46Å; L220-V223 HydrophobicContact CG-CG2 3.66Å | ||
| 221 | V | 98.4 | Very high | 97.5 | Very high | 124 Ų | 124 | 73.7 Ų | 73.7 | 75% | 0.752 | 40% | 0.403 | S | S | * | . | trans | -130.6 | 9.5 | -173.4 | -61.6 | 0 | 0 | 0 | 0 | 114.4 | P219 | P219-V221 HydrophobicContact CB-CG1 4.45Š| ||
| 222 | W | 97.2 | Very high | 97.4 | Very high | 33 Ų | 33 | 74.9 Ų | 74.9 | 13% | 0.125 | 41% | 0.412 | C | S | . | . | trans | -129.4 | 20.1 | -170.3 | 46.8 | -104.3 | 0 | 0 | 0 | 114.2 | V27 R57 Y59 P110 E172 L220 | V27-W222 HydrophobicContact CG1-CZ2 3.79Å; R57-W222 HydrophobicContact CB-CH2 3.79Å; R57-W222 HydrophobicContact CB-CZ3 3.87Å; Y59-W222 HydrophobicContact CD1-CB 4.24Å; Y59-W222 AromaticContact CD1-CD1 3.96Å; Y59-W222 HydrophobicContact CD1-CD2 4.07Å; Y59-W222 AromaticContact CD1-CG 3.85Å; Y59-W222 HydrophobicContact CD1-CG 3.85Å; Y59-W222 HydrophobicContact CE1-CB 4.44Å; Y59-W222 HydrophobicContact CE1-CG 4.48Å; Y59-W222 HydrophobicContact CG-CD2 4.37Å; P110-W222 HydrophobicContact CB-CE3 3.59Å; P110-W222 HydrophobicContact CB-CZ3 3.97Å; P110-W222 HydrophobicContact CG-CB 4.16Å; P110-W222 HydrophobicContact CG-CD2 4.47Å; P110-W222 HydrophobicContact CG-CE3 3.97Å; P110-W222 WeakPolarHBondContact CG-O 3.12Å; E172-W222 HydrophobicContact CB-CZ2 3.65Å; E172-W222 VanDerWaalsContact CD-NE1 3.31Å; E172-W222 PolarHBondContact OE2-NE1 2.84Å; L220-W222 HydrophobicContact CD1-CD2 3.57Å; L220-W222 HydrophobicContact CD1-CE3 3.88Å; L220-W222 HydrophobicContact CD1-CG 4.2Å; L220-W222 HydrophobicContact CD1-CH2 3.86Å; L220-W222 HydrophobicContact CD1-CZ2 3.49Å; L220-W222 VanDerWaalsContact CD1-CZ2 3.49Å; L220-W222 HydrophobicContact CD1-CZ3 4.04Å | ||
| 223 | V | 84.6 | Confident | 97.2 | Very high | 127 Ų | 127 | 74 Ų | 74 | 77% | 0.77 | 42% | 0.415 | S | S | * | . | trans | -97 | 0 | 174.3 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | L220 | L220-V223 HydrophobicContact CD1-CG2 3.74Å; L220-V223 HydrophobicContact CD2-CB 4.43Å; L220-V223 HydrophobicContact CD2-CG2 3.46Å; L220-V223 VanDerWaalsContact CD2-CG2 3.46Å; L220-V223 HydrophobicContact CG-CG2 3.66Å |
Retrieved 223 of 223 residues in 1359.2 ms
(Link to these results)