| 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 | 34.5 | Very low | 34.4 | Very low | 240 Ų | 240 | 112.9 Ų | 112.9 | 100% | 1.182 | 67% | 0.672 | S | S | * | * | 0 | 108.2 | 0 | -75.4 | 171 | 166.8 | 0 | 0 | 106.6 | E3 | M1-E3 PolarHBondContact O-N 3.48Š| |||
| 2 | S | 35.6 | Very low | 34.4 | Very low | 123 Ų | 123 | 108.9 Ų | 108.9 | 86% | 0.86 | 65% | 0.654 | S | S | * | * | trans | -75.7 | 105.2 | 174.4 | 51.2 | 0 | 0 | 0 | 0 | 108 | G4 | S2-G4 PolarHBondContact O-N 2.86Š| ||
| 3 | E | 35.8 | Very low | 34.9 | Very low | 192 Ų | 192 | 104.7 Ų | 104.7 | 90% | 0.897 | 62% | 0.623 | S | S | * | * | trans | -65.2 | 99.6 | 165.8 | -73.6 | -178.5 | 166.1 | 0 | 0 | 107.3 | M1 S5 | M1-E3 PolarHBondContact O-N 3.48Å; E3-S5 PolarHBondContact O-N 3.03Å; E3-S5 VanDerWaalsContact O-N 3.13Å | ||
| 4 | G | 35.8 | Very low | 34.7 | Very low | 70 Ų | 70 | 103.1 Ų | 103.1 | 72% | 0.722 | 62% | 0.615 | S | S | * | * | trans | -62.7 | 113.1 | 168 | 0 | 0 | 0 | 0 | 0 | 107.4 | S2 S6 | S2-G4 PolarHBondContact O-N 2.86Å; G4-S6 PolarHBondContact O-N 2.69Å | ||
| 5 | S | 31.1 | Very low | 35 | Very low | 102 Ų | 102 | 99.6 Ų | 99.6 | 71% | 0.713 | 60% | 0.597 | S | S | * | * | trans | -58.3 | 109.7 | 166.9 | 59.2 | 0 | 0 | 0 | 0 | 106.9 | E3 V7 | E3-S5 PolarHBondContact O-N 3.03Å; E3-S5 VanDerWaalsContact O-N 3.13Å; S5-V7 VanDerWaalsContact C-N 3.27Å; S5-V7 PolarHBondContact O-N 3.12Å | ||
| 6 | S | 31.9 | Very low | 35.3 | Very low | 103 Ų | 103 | 105 Ų | 105 | 72% | 0.72 | 61% | 0.614 | S | S | * | * | trans | -62 | 94.6 | 169.6 | 53.5 | 0 | 0 | 0 | 0 | 107.4 | G4 I8 | G4-S6 PolarHBondContact O-N 2.69Å; S6-I8 PolarHBondContact O-N 3.2Å; S6-I8 VanDerWaalsContact O-N 3.1Å | ||
| 7 | V | 33.2 | Very low | 35.8 | Very low | 87 Ų | 87 | 106.5 Ų | 106.5 | 53% | 0.527 | 61% | 0.614 | S | S | . | * | trans | -59.6 | 113.4 | 167 | 174.8 | 0 | 0 | 0 | 0 | 105.9 | S5 D9 | S5-V7 VanDerWaalsContact C-N 3.27Å; S5-V7 PolarHBondContact O-N 3.12Å; V7-D9 PolarHBondContact O-N 2.99Å; V7-D9 VanDerWaalsContact O-N 3.15Å | ||
| 8 | I | 31.4 | Very low | 36.3 | Very low | 136 Ų | 136 | 102.5 Ų | 102.5 | 70% | 0.697 | 59% | 0.591 | S | S | * | * | trans | -71 | 109 | 178.5 | -65.7 | 172.1 | 0 | 0 | 0 | 107.1 | S6 L10 | S6-I8 PolarHBondContact O-N 3.2Å; S6-I8 VanDerWaalsContact O-N 3.1Å; I8-L10 PolarHBondContact O-N 2.87Å | ||
| 9 | D | 40 | Very low | 36.9 | Very low | 72 Ų | 72 | 98.4 Ų | 98.4 | 39% | 0.385 | 57% | 0.567 | S | S | . | * | trans | -84.8 | 99.5 | 177.7 | -168.4 | -11.8 | 0 | 0 | 0 | 110.5 | V7 T11 S12 | V7-D9 PolarHBondContact O-N 2.99Å; V7-D9 VanDerWaalsContact O-N 3.15Å; D9-T11 PolarHBondContact O-N 3.11Å; D9-T11 VanDerWaalsContact O-N 3.07Å; D9-T11 WeakPolarHBondContact OD1-CB 3.32Å; D9-T11 WeakPolarHBondContact OD1-CG2 3.43Å; D9-T11 PolarHBondContact OD1-N 3.27Å; D9-T11 PolarHBondContact OD1-OG1 3.5Å; D9-T11 PolarHBondContact OD2-OG1 3.24Å; D9-T11 VanDerWaalsContact OD2-OG1 3.09Å; D9-S12 PolarHBondContact O-N 2.93Å; D9-S12 VanDerWaalsContact O-N 3.14Å; D9-S12 PolarHBondContact O-OG 3.43Å | ||
| 10 | L | 32.7 | Very low | 37.7 | Very low | 34 Ų | 34 | 97.6 Ų | 97.6 | 18% | 0.178 | 56% | 0.561 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -65.6 | -1.6 | 175.6 | -65.3 | 164.1 | 0 | 0 | 0 | 113.7 | I8 S12 S212 K215 V287 | I8-L10 PolarHBondContact O-N 2.87Å; L10-S12 VanDerWaalsContact C-N 3.35Å; L10-S212 WeakPolarHBondContact O-CB 3.42Å; L10-K215 PolarHBondContact O-NZ 3.19Å; L10-V287 HydrophobicContact CD1-CG1 3.8Å; L10-V287 HydrophobicContact CD2-CG1 4.39Å |
| 11 | T | 36.2 | Very low | 38.3 | Very low | 83 Ų | 83 | 93.1 Ų | 93.1 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -15.9 | 170.9 | 71.2 | 0 | 0 | 0 | 0 | 112.8 | D9 E13 S212 | D9-T11 PolarHBondContact O-N 3.11Å; D9-T11 VanDerWaalsContact O-N 3.07Å; D9-T11 WeakPolarHBondContact OD1-CB 3.32Å; D9-T11 WeakPolarHBondContact OD1-CG2 3.43Å; D9-T11 PolarHBondContact OD1-N 3.27Å; D9-T11 PolarHBondContact OD1-OG1 3.5Å; D9-T11 PolarHBondContact OD2-OG1 3.24Å; D9-T11 VanDerWaalsContact OD2-OG1 3.09Å; T11-E13 VanDerWaalsContact C-N 3.3Å; T11-E13 PolarHBondContact O-N 2.8Å; T11-S212 WeakPolarHBondContact CG2-OG 3.49Å |
| 12 | S | 34.6 | Very low | 39.2 | Very low | 65 Ų | 65 | 82.3 Ų | 82.3 | 46% | 0.455 | 48% | 0.483 | S | S | . | . | trans | -81.8 | 71.4 | -177.2 | 61.7 | 0 | 0 | 0 | 0 | 112 | D9 L10 | D9-S12 PolarHBondContact O-N 2.93Å; D9-S12 VanDerWaalsContact O-N 3.14Å; D9-S12 PolarHBondContact O-OG 3.43Å; L10-S12 VanDerWaalsContact C-N 3.35Å | ||
| 13 | E | 40.8 | Very low | 40.3 | Very low | 54 Ų | 54 | 77.2 Ų | 77.2 | 25% | 0.252 | 45% | 0.445 | S | S | . | . | trans | -142.3 | 110.3 | -170.5 | -141.2 | 178.5 | -119.3 | 0 | 0 | 111.9 | T11 I72 Y76 K215 | T11-E13 VanDerWaalsContact C-N 3.3Å; T11-E13 PolarHBondContact O-N 2.8Å; E13-I72 HydrophobicContact CG-CG2 4.38Å; E13-I72 WeakPolarHBondContact OE1-CD1 3.1Å; E13-I72 VanDerWaalsContact OE1-CG1 3.25Å; E13-I72 WeakPolarHBondContact OE1-CG1 3.43Å; E13-I72 WeakPolarHBondContact OE1-CG2 3.44Å; E13-Y76 HydrophobicContact CB-CE2 4.36Å; E13-Y76 WeakPolarHBondContact CB-OH 3.41Å; E13-Y76 VanDerWaalsContact CD-CE2 3.44Å; E13-Y76 HydrophobicContact CG-CE2 3.57Å; E13-Y76 WeakPolarHBondContact CG-OH 3.45Å; E13-Y76 PolarHBondContact O-OH 3.22Å; E13-Y76 WeakPolarHBondContact OE2-CE2 3.48Å; E13-Y76 PolarHBondContact OE2-OH 3.02Å; E13-Y76 VanDerWaalsContact OE2-OH 3.11Å; E13-K215 IonicContact OE2-NZ 3.65Å; E13-K215 PolarHBondContact OE2-NZ 3.03Å | ||
| 14 | T | 32 | Very low | 41.4 | Very low | 83 Ų | 83 | 73.8 Ų | 73.8 | 51% | 0.509 | 43% | 0.433 | S | S | . | . | trans | -79.2 | 127.5 | -178.2 | 48.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 15 | S | 39.3 | Very low | 42.8 | Very low | 50 Ų | 50 | 73 Ų | 73 | 35% | 0.35 | 41% | 0.412 | S | S | . | . | -148.1 | 139.7 | 124.5 | 59.6 | 0 | 0 | 0 | 0 | 106.9 | E17 V18 Y76 | S15-E17 PolarHBondContact O-N 2.94Å; S15-V18 PolarHBondContact O-N 2.97Å; S15-V18 VanDerWaalsContact OG-CG2 3.27Å; S15-V18 WeakPolarHBondContact OG-CG2 3.4Å; S15-Y76 WeakPolarHBondContact OG-CD1 3.18Å; S15-Y76 WeakPolarHBondContact OG-CE1 3.16Å | |||
| 16 | Q | 39.3 | Very low | 44.4 | Very low | 186 Ų | 186 | 69.1 Ų | 69.1 | 87% | 0.869 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 1.6 | 179.6 | -70.1 | -180 | -26.5 | 0 | 0 | 113.4 | ||
| 17 | E | 44.1 | Very low | 46.2 | Very low | 130 Ų | 130 | 69.4 Ų | 69.4 | 61% | 0.607 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | -18.6 | -170.2 | -59.5 | -167.6 | 160.6 | 0 | 0 | 114.7 | S15 R82 | S15-E17 PolarHBondContact O-N 2.94Å; E17-R82 PolarHBondContact O-N 3.35Å; E17-R82 VanDerWaalsContact O-N 3.11Å |
| 18 | V | 45.7 | Very low | 47.9 | Very low | 35 Ų | 35 | 73 Ų | 73 | 21% | 0.212 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -78.9 | 135.7 | 175.5 | 174.8 | 0 | 0 | 0 | 0 | 109.9 | S15 D20 Y75 Y76 V79 | S15-V18 PolarHBondContact O-N 2.97Å; S15-V18 VanDerWaalsContact OG-CG2 3.27Å; S15-V18 WeakPolarHBondContact OG-CG2 3.4Å; V18-D20 PolarHBondContact O-N 3.06Å; V18-Y75 HydrophobicContact CG1-CE1 4.37Å; V18-Y76 HydrophobicContact CB-CE1 4.24Å; V18-Y76 HydrophobicContact CG2-CD1 3.51Å; V18-Y76 HydrophobicContact CG2-CE1 3.7Å; V18-V79 HydrophobicContact CB-CG1 4.46Å; V18-V79 HydrophobicContact CG1-CG1 4.18Å; V18-V79 HydrophobicContact CG1-CG2 4.43Å; V18-V79 HydrophobicContact CG2-CG1 3.45Å; V18-V79 VanDerWaalsContact CG2-CG1 3.45Å |
| 19 | I | 46.4 | Very low | 49.9 | Very low | 24 Ų | 24 | 67 Ų | 67 | 12% | 0.123 | 36% | 0.355 | C | S | . | . | trans | -74.2 | 100.8 | -169.3 | -30.6 | -175 | 0 | 0 | 0 | 109.9 | L21 P48 Q80 R82 L85 | I19-L21 HydrophobicContact CB-CD2 4Å; I19-L21 HydrophobicContact CB-CG 3.95Å; I19-L21 HydrophobicContact CG2-CD2 3.21Å; I19-L21 HydrophobicContact CG2-CG 3.65Å; I19-L21 PolarHBondContact O-N 3.27Å; I19-P48 HydrophobicContact CG2-CB 3.92Å; I19-P48 HydrophobicContact CG2-CG 4.44Å; I19-Q80 WeakPolarHBondContact CD1-O 3.49Å; I19-Q80 WeakPolarHBondContact CG1-O 3.38Å; I19-R82 HydrophobicContact CD1-CB 4.46Å; I19-R82 HydrophobicContact CG1-CB 3.96Å; I19-R82 HydrophobicContact CG2-CB 4.26Å; I19-R82 HydrophobicContact CG2-CG 4.18Å; I19-L85 HydrophobicContact CD1-CB 3.7Å; I19-L85 HydrophobicContact CD1-CD2 3.68Å; I19-L85 HydrophobicContact CD1-CG 4.34Å | ||
| 20 | D | 53.2 | Low | 51.5 | Low | 83 Ų | 83 | 67.5 Ų | 67.5 | 44% | 0.444 | 35% | 0.354 | S | S | . | . | trans | -67.8 | 108 | 152.5 | -175.4 | -5.4 | 0 | 0 | 0 | 106.3 | V18 T22 | V18-D20 PolarHBondContact O-N 3.06Å; D20-T22 VanDerWaalsContact C-N 3.27Å; D20-T22 WeakPolarHBondContact OD1-CB 3.33Å; D20-T22 PolarHBondContact OD1-N 3.47Å; D20-T22 PolarHBondContact OD1-OG1 3.01Å | ||
| 21 | L | 51.4 | Low | 53.7 | Low | 3 Ų | 3 | 70.9 Ų | 70.9 | 2% | 0.016 | 38% | 0.381 | C | S | . | . | trans | -93.8 | 22.1 | -178.7 | -73.9 | 177.3 | 0 | 0 | 0 | 109.8 | I19 P48 L85 H206 F272 | I19-L21 HydrophobicContact CB-CD2 4Å; I19-L21 HydrophobicContact CB-CG 3.95Å; I19-L21 HydrophobicContact CG2-CD2 3.21Å; I19-L21 HydrophobicContact CG2-CG 3.65Å; I19-L21 PolarHBondContact O-N 3.27Å; L21-P48 HydrophobicContact CD2-CB 4.04Å; L21-L85 HydrophobicContact CD2-CD2 4.01Å; L21-H206 VanDerWaalsContact CB-CE1 3.45Å; L21-H206 WeakPolarHBondContact CB-CE1 3.32Å; L21-F272 HydrophobicContact CB-CD1 3.54Å; L21-F272 HydrophobicContact CB-CE1 3.81Å; L21-F272 HydrophobicContact CB-CG 4.33Å; L21-F272 HydrophobicContact CD1-CD1 4.38Å; L21-F272 HydrophobicContact CD1-CE1 3.81Å; L21-F272 HydrophobicContact CD2-CD1 3.9Å; L21-F272 HydrophobicContact CD2-CE1 3.46Å; L21-F272 VanDerWaalsContact CD2-CE1 3.46Å; L21-F272 HydrophobicContact CD2-CE2 4.13Å; L21-F272 HydrophobicContact CD2-CZ 3.58Å; L21-F272 HydrophobicContact CG-CD1 4.14Å; L21-F272 HydrophobicContact CG-CE1 3.9Å; L21-F272 HydrophobicContact CG-CZ 4.49Å; L21-F272 WeakPolarHBondContact O-CA 3.31Å; L21-F272 WeakPolarHBondContact O-CB 3.33Å; L21-F272 WeakPolarHBondContact O-CD1 3.41Å; L21-F272 VanDerWaalsContact O-CG 3.22Å; L21-F272 WeakPolarHBondContact O-CG 3.24Å | ||
| 22 | T | 52.5 | Low | 55.9 | Low | 14 Ų | 14 | 74.5 Ų | 74.5 | 9% | 0.086 | 39% | 0.385 | C | S | . | . | trans | -115 | 133.8 | -177.4 | 68 | 0 | 0 | 0 | 0 | 113.5 | D20 Q210 K274 | D20-T22 VanDerWaalsContact C-N 3.27Å; D20-T22 WeakPolarHBondContact OD1-CB 3.33Å; D20-T22 PolarHBondContact OD1-N 3.47Å; D20-T22 PolarHBondContact OD1-OG1 3.01Å; T22-Q210 HydrophobicContact CG2-CB 4.2Å; T22-Q210 HydrophobicContact CG2-CG 3.62Å; T22-Q210 VanDerWaalsContact CG2-OE1 3.31Å; T22-K274 HydrophobicContact CG2-CG 4.16Å; T22-K274 WeakPolarHBondContact OG1-CE 2.89Å | ||
| 23 | E | 59.6 | Low | 58.2 | Low | 16 Ų | 16 | 71.9 Ų | 71.9 | 8% | 0.075 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -133.6 | 146 | 175.5 | -69.9 | 170.4 | -139.3 | 0 | 0 | 110.9 | A29 I49 F272 K273 K274 | E23-A29 WeakPolarHBondContact OE2-CB 3.13Å; E23-I49 HydrophobicContact CG-CB 4.39Å; E23-I49 WeakPolarHBondContact OE1-CA 3.26Å; E23-I49 WeakPolarHBondContact OE1-CB 3.36Å; E23-I49 WeakPolarHBondContact OE1-CG1 3.03Å; E23-I49 PolarHBondContact OE1-N 3.13Å; E23-I49 WeakPolarHBondContact OE2-CD1 3.42Å; E23-F272 WeakPolarHBondContact CA-O 3.45Å; E23-F272 WeakPolarHBondContact CB-O 3.33Å; E23-F272 PolarHBondContact N-O 3.23Å; E23-K273 WeakPolarHBondContact O-CA 3.46Å; E23-K274 PolarHBondContact O-N 3.27Å |
| 24 | D | 59 | Low | 60.4 | Low | 119 Ų | 119 | 70.5 Ų | 70.5 | 64% | 0.636 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -78.8 | -27.8 | -179 | -67.3 | -33 | 0 | 0 | 0 | 112.4 | K274 | D24-K274 WeakPolarHBondContact OD1-CD 3.3Š|
| 25 | D | 63.7 | Low | 63.2 | Low | 54 Ų | 54 | 71.3 Ų | 71.3 | 29% | 0.289 | 37% | 0.368 | S | S | . | . | trans | -156.4 | 88.5 | -174.8 | -161.8 | -16.3 | 0 | 0 | 0 | 114.2 | D27 K28 A29 | D25-D27 PolarHBondContact O-N 3.26Å; D25-D27 PolarHBondContact OD1-N 3.29Å; D25-K28 HydrophobicContact CB-CB 4.23Å; D25-K28 HydrophobicContact CB-CD 4.19Å; D25-K28 HydrophobicContact CB-CG 4.36Å; D25-K28 PolarHBondContact O-N 3.12Å; D25-K28 PolarHBondContact OD1-N 3.26Å; D25-K28 WeakPolarHBondContact OD2-CD 3.36Å; D25-K28 WeakPolarHBondContact OD2-CE 3.39Å; D25-K28 WeakPolarHBondContact OD2-CG 3.17Å; D25-K28 IonicContact OD2-NZ 2.78Å; D25-K28 PolarHBondContact OD2-NZ 2.76Å; D25-K28 VanDerWaalsContact OD2-NZ 3.1Å; D25-A29 WeakPolarHBondContact O-CB 3.3Å; D25-A29 PolarHBondContact O-N 3.2Å | ||
| 26 | F | 66 | Low | 65.7 | Low | 21 Ų | 21 | 72.2 Ų | 72.2 | 9% | 0.092 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -53.9 | -37.4 | 177 | -179.4 | -100.8 | 0 | 0 | 0 | 113 | K28 A29 K30 L33 C44 R45 I49 | F26-K28 PolarHBondContact O-N 3.22Å; F26-A29 PolarHBondContact O-N 3.2Å; F26-K30 HydrophobicContact CD1-CG 4.37Å; F26-K30 HydrophobicContact CE1-CD 4.38Å; F26-K30 VanDerWaalsContact CE1-CE 3.47Å; F26-K30 HydrophobicContact CE1-CG 3.99Å; F26-K30 HydrophobicContact CZ-CG 4.32Å; F26-K30 WeakPolarHBondContact O-CG 3.34Å; F26-K30 PolarHBondContact O-N 3.22Å; F26-L33 HydrophobicContact CE2-CD1 4.12Å; F26-L33 HydrophobicContact CZ-CD1 4.03Å; F26-C44 VanDerWaalsContact CE2-O 3.22Å; F26-C44 WeakPolarHBondContact CE2-O 3.46Å; F26-C44 WeakPolarHBondContact CZ-O 3.46Å; F26-R45 HydrophobicContact CE1-CG 3.74Å; F26-R45 HydrophobicContact CZ-CB 4.17Å; F26-R45 HydrophobicContact CZ-CG 3.75Å; F26-I49 HydrophobicContact CD2-CD1 4.45Å; F26-I49 HydrophobicContact CE2-CD1 4.5Å |
| 27 | D | 69.9 | Low | 68.1 | Low | 108 Ų | 108 | 63.4 Ų | 63.4 | 58% | 0.578 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -68.2 | -36.4 | -176.5 | -77.6 | -41.2 | 0 | 0 | 0 | 112 | D25 K30 | D25-D27 PolarHBondContact O-N 3.26Å; D25-D27 PolarHBondContact OD1-N 3.29Å; D27-K30 VanDerWaalsContact OD1-CE 3.3Å; D27-K30 WeakPolarHBondContact OD1-CE 3.33Å; D27-K30 IonicContact OD1-NZ 3.85Å; D27-K30 PolarHBondContact OD1-NZ 2.66Å |
| 28 | K | 69 | Low | 70.3 | Confident | 162 Ų | 162 | 61.4 Ų | 61.4 | 70% | 0.704 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -71.6 | -35.1 | 171.1 | -71.4 | 179.5 | -171.2 | 151.4 | 0 | 112.3 | D25 F26 K30 S31 | D25-K28 HydrophobicContact CB-CB 4.23Å; D25-K28 HydrophobicContact CB-CD 4.19Å; D25-K28 HydrophobicContact CB-CG 4.36Å; D25-K28 PolarHBondContact O-N 3.12Å; D25-K28 PolarHBondContact OD1-N 3.26Å; D25-K28 WeakPolarHBondContact OD2-CD 3.36Å; D25-K28 WeakPolarHBondContact OD2-CE 3.39Å; D25-K28 WeakPolarHBondContact OD2-CG 3.17Å; D25-K28 IonicContact OD2-NZ 2.78Å; D25-K28 PolarHBondContact OD2-NZ 2.76Å; D25-K28 VanDerWaalsContact OD2-NZ 3.1Å; F26-K28 PolarHBondContact O-N 3.22Å; K28-K30 VanDerWaalsContact C-N 3.32Å; K28-K30 PolarHBondContact O-N 2.59Å; K28-S31 PolarHBondContact O-OG 3.02Å |
| 29 | A | 72.9 | Confident | 72.3 | Confident | 11 Ų | 11 | 67.6 Ų | 67.6 | 9% | 0.091 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -78.1 | -14.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E23 D25 F26 S31 R32 I49 | E23-A29 WeakPolarHBondContact OE2-CB 3.13Å; D25-A29 WeakPolarHBondContact O-CB 3.3Å; D25-A29 PolarHBondContact O-N 3.2Å; F26-A29 PolarHBondContact O-N 3.2Å; A29-S31 PolarHBondContact O-N 3.4Å; A29-R32 WeakPolarHBondContact O-CA 3.29Å; A29-R32 WeakPolarHBondContact O-CB 3.31Å; A29-R32 PolarHBondContact O-N 3.49Å; A29-I49 HydrophobicContact CB-CD1 3.41Å; A29-I49 VanDerWaalsContact CB-CD1 3.41Å; A29-I49 HydrophobicContact CB-CG2 4.36Å |
| 30 | K | 73.9 | Confident | 74.3 | Confident | 83 Ų | 83 | 66.5 Ų | 66.5 | 36% | 0.361 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -47.5 | -36.1 | 174.6 | -84.6 | 172.3 | 178.9 | 166 | 0 | 114.4 | F26 D27 K28 R32 L33 | F26-K30 HydrophobicContact CD1-CG 4.37Å; F26-K30 HydrophobicContact CE1-CD 4.38Å; F26-K30 VanDerWaalsContact CE1-CE 3.47Å; F26-K30 HydrophobicContact CE1-CG 3.99Å; F26-K30 HydrophobicContact CZ-CG 4.32Å; F26-K30 WeakPolarHBondContact O-CG 3.34Å; F26-K30 PolarHBondContact O-N 3.22Å; D27-K30 VanDerWaalsContact OD1-CE 3.3Å; D27-K30 WeakPolarHBondContact OD1-CE 3.33Å; D27-K30 IonicContact OD1-NZ 3.85Å; D27-K30 PolarHBondContact OD1-NZ 2.66Å; K28-K30 VanDerWaalsContact C-N 3.32Å; K28-K30 PolarHBondContact O-N 2.59Å; K30-R32 PolarHBondContact O-N 3.34Å; K30-L33 HydrophobicContact CG-CD1 4.39Å; K30-L33 WeakPolarHBondContact O-CB 3.48Å; K30-L33 PolarHBondContact O-N 2.98Å; K30-L33 VanDerWaalsContact O-N 3.17Å |
| 31 | S | 79.2 | Confident | 75.8 | Confident | 105 Ų | 105 | 65.5 Ų | 65.5 | 73% | 0.734 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -65.3 | -22.5 | 178.1 | 60.4 | 0 | 0 | 0 | 0 | 113.9 | K28 A29 | K28-S31 PolarHBondContact O-OG 3.02Å; A29-S31 PolarHBondContact O-N 3.4Å |
| 32 | R | 80.7 | Confident | 77.5 | Confident | 158 Ų | 158 | 66.9 Ų | 66.9 | 60% | 0.596 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -87.3 | -8.4 | 177.5 | -57.2 | 178.9 | 178.4 | -176.3 | -2.7 | 112.7 | A29 K30 I49 | A29-R32 WeakPolarHBondContact O-CA 3.29Å; A29-R32 WeakPolarHBondContact O-CB 3.31Å; A29-R32 PolarHBondContact O-N 3.49Å; K30-R32 PolarHBondContact O-N 3.34Å; R32-I49 HydrophobicContact CB-CG2 3.89Å |
| 33 | L | 84.5 | Confident | 79.2 | Confident | 10 Ų | 10 | 66.2 Ų | 66.2 | 5% | 0.052 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -72.9 | 144.5 | 179.8 | -69.8 | 175.9 | 0 | 0 | 0 | 111.1 | F26 K30 I37 L38 C44 Y47 I49 | F26-L33 HydrophobicContact CE2-CD1 4.12Å; F26-L33 HydrophobicContact CZ-CD1 4.03Å; K30-L33 HydrophobicContact CG-CD1 4.39Å; K30-L33 WeakPolarHBondContact O-CB 3.48Å; K30-L33 PolarHBondContact O-N 2.98Å; K30-L33 VanDerWaalsContact O-N 3.17Å; L33-I37 HydrophobicContact CB-CG2 4.19Å; L33-I37 HydrophobicContact CD2-CG2 4.43Å; L33-L38 HydrophobicContact CB-CD2 3.77Å; L33-L38 HydrophobicContact CD1-CD2 4.12Å; L33-C44 HydrophobicContact CD1-CB 4.13Å; L33-Y47 HydrophobicContact CD2-CD1 3.46Å; L33-Y47 VanDerWaalsContact CD2-CD1 3.46Å; L33-Y47 HydrophobicContact CD2-CE1 4.33Å; L33-Y47 HydrophobicContact CD2-CG 3.84Å; L33-I49 HydrophobicContact CD2-CD1 3.54Å; L33-I49 HydrophobicContact CD2-CG1 3.65Å; L33-I49 HydrophobicContact CG-CD1 3.82Å; L33-I49 HydrophobicContact CG-CG1 4.44Å |
| 34 | P | 87 | Confident | 80.6 | Confident | 25 Ų | 25 | 66 Ų | 66 | 16% | 0.162 | 34% | 0.336 | C | S | . | . | trans | -70.2 | 142.9 | 177.7 | 31.1 | -36.2 | 0 | 0 | 0 | 111.1 | W36 I37 Y47 | P34-W36 HydrophobicContact CB-CG 4.45Å; P34-W36 HydrophobicContact CB-CZ2 4.45Å; P34-W36 HydrophobicContact CG-CD2 4.28Å; P34-W36 VanDerWaalsContact CG-CE2 3.47Å; P34-W36 HydrophobicContact CG-CZ2 3.62Å; P34-W36 PolarHBondContact O-N 3.38Å; P34-I37 HydrophobicContact CG-CG2 4.1Å; P34-I37 WeakPolarHBondContact O-CG2 3.32Å; P34-I37 PolarHBondContact O-N 3.05Å; P34-I37 VanDerWaalsContact O-N 3.07Å; P34-Y47 HydrophobicContact CG-CE1 4.28Å; P34-Y47 HydrophobicContact CG-CE2 4Å | ||
| 35 | P | 91 | Very high | 81.7 | Confident | 101 Ų | 101 | 63.5 Ų | 63.5 | 66% | 0.656 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -31.2 | -172.5 | -29.3 | 35.1 | 0 | 0 | 0 | 115.6 | I37 L38 | P35-I37 PolarHBondContact O-N 3.31Å; P35-L38 PolarHBondContact O-N 3.1Å |
| 36 | W | 91.7 | Very high | 82.8 | Confident | 69 Ų | 69 | 61 Ų | 61 | 26% | 0.261 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -25.9 | -178.6 | 58.2 | -98.3 | 0 | 0 | 0 | 113.1 | P34 Y47 L89 R90 H93 | P34-W36 HydrophobicContact CB-CG 4.45Å; P34-W36 HydrophobicContact CB-CZ2 4.45Å; P34-W36 HydrophobicContact CG-CD2 4.28Å; P34-W36 VanDerWaalsContact CG-CE2 3.47Å; P34-W36 HydrophobicContact CG-CZ2 3.62Å; P34-W36 PolarHBondContact O-N 3.38Å; W36-Y47 HydrophobicContact CH2-CD2 4Å; W36-Y47 AromaticContact CH2-CE2 3.7Å; W36-Y47 HydrophobicContact CH2-CE2 3.7Å; W36-Y47 HydrophobicContact CZ2-CD2 4.28Å; W36-Y47 AromaticContact CZ2-CE2 3.58Å; W36-Y47 HydrophobicContact CZ2-CE2 3.58Å; W36-L89 HydrophobicContact CH2-CB 4.3Å; W36-R90 HydrophobicContact CD2-CG 4.42Å; W36-R90 HydrophobicContact CE3-CG 4.36Å; W36-R90 HydrophobicContact CH2-CB 4.43Å; W36-R90 HydrophobicContact CH2-CG 3.47Å; W36-R90 VanDerWaalsContact CH2-CG 3.47Å; W36-R90 HydrophobicContact CZ2-CG 3.51Å; W36-R90 HydrophobicContact CZ3-CG 3.9Å; W36-H93 HydrophobicContact CE3-CB 4.24Å; W36-H93 HydrophobicContact CZ3-CB 4.26Å; W36-H93 PolarHBondContact O-CE1 3.32Å; W36-H93 PolarHBondContact O-NE2 3.22Å |
| 37 | I | 89.5 | Confident | 83.7 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -17.2 | -176 | -147.8 | 172 | 0 | 0 | 0 | 113.8 | L33 P34 P35 H39 S40 L43 C44 Y47 | L33-I37 HydrophobicContact CB-CG2 4.19Å; L33-I37 HydrophobicContact CD2-CG2 4.43Å; P34-I37 HydrophobicContact CG-CG2 4.1Å; P34-I37 WeakPolarHBondContact O-CG2 3.32Å; P34-I37 PolarHBondContact O-N 3.05Å; P34-I37 VanDerWaalsContact O-N 3.07Å; P35-I37 PolarHBondContact O-N 3.31Å; I37-H39 PolarHBondContact O-N 2.84Å; I37-S40 PolarHBondContact O-N 3.45Å; I37-L43 HydrophobicContact CD1-CB 3.94Å; I37-L43 VanDerWaalsContact CD1-O 3.22Å; I37-L43 WeakPolarHBondContact CD1-O 3.3Å; I37-L43 HydrophobicContact CG1-CB 3.9Å; I37-C44 HydrophobicContact CG1-CB 4.43Å; I37-C44 HydrophobicContact CG2-CB 4.14Å; I37-C44 WeakPolarHBondContact O-CB 3.33Å; I37-Y47 HydrophobicContact CD1-CD2 3.55Å; I37-Y47 HydrophobicContact CD1-CE2 4.49Å; I37-Y47 HydrophobicContact CD1-CG 4.1Å |
| 38 | L | 89 | Confident | 84.1 | Confident | 88 Ų | 88 | 56 Ų | 56 | 46% | 0.461 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -26.8 | -171 | -69.6 | 177 | 0 | 0 | 0 | 114 | L33 P35 | L33-L38 HydrophobicContact CB-CD2 3.77Å; L33-L38 HydrophobicContact CD1-CD2 4.12Å; P35-L38 PolarHBondContact O-N 3.1Å |
| 39 | H | 87.3 | Confident | 84.2 | Confident | 166 Ų | 166 | 48.7 Ų | 48.7 | 77% | 0.769 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -7.5 | -178.5 | -56.5 | 96.4 | 0 | 0 | 0 | 113.7 | I37 P41 | I37-H39 PolarHBondContact O-N 2.84Å; H39-P41 WeakPolarHBondContact O-CD 3.26Å |
| 40 | S | 88.4 | Confident | 83.7 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | trans | -96.5 | 110.5 | 178.9 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | I37 Y42 L43 C44 E96 | I37-S40 PolarHBondContact O-N 3.45Å; S40-Y42 VanDerWaalsContact C-N 3.29Å; S40-Y42 PolarHBondContact O-N 2.85Å; S40-L43 VanDerWaalsContact OG-CB 3.23Å; S40-L43 WeakPolarHBondContact OG-CB 3.37Å; S40-L43 WeakPolarHBondContact OG-CD1 3.41Å; S40-L43 WeakPolarHBondContact OG-CG 3.18Å; S40-L43 PolarHBondContact OG-N 3.49Å; S40-C44 WeakPolarHBondContact O-CB 3.42Å; S40-C44 PolarHBondContact O-N 3.28Å; S40-C44 VanDerWaalsContact O-N 3.15Å; S40-C44 PolarHBondContact O-SG 3.23Å; S40-E96 WeakPolarHBondContact CB-OE2 3.15Å; S40-E96 PolarHBondContact OG-OE1 3.09Å; S40-E96 PolarHBondContact OG-OE2 3.28Å | ||
| 41 | P | 84.7 | Confident | 82.6 | Confident | 62 Ų | 62 | 49.8 Ų | 49.8 | 40% | 0.403 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -34.3 | -172.8 | -25.7 | 35.1 | 0 | 0 | 0 | 114.7 | H39 R45 | H39-P41 WeakPolarHBondContact O-CD 3.26Å; P41-R45 WeakPolarHBondContact O-CD 3.14Å; P41-R45 PolarHBondContact O-NE 2.96Å |
| 42 | Y | 88 | Confident | 80.7 | Confident | 31 Ų | 31 | 52.9 Ų | 52.9 | 12% | 0.122 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -46 | -179.7 | -64.5 | -77.8 | 0 | 0 | 0 | 111.9 | S40 C44 R45 Q46 N108 I109 C110 V131 L266 | S40-Y42 VanDerWaalsContact C-N 3.29Å; S40-Y42 PolarHBondContact O-N 2.85Å; Y42-C44 VanDerWaalsContact C-N 3.3Å; Y42-C44 PolarHBondContact O-N 3.26Å; Y42-R45 PolarHBondContact O-N 3.2Å; Y42-R45 VanDerWaalsContact O-N 3.12Å; Y42-Q46 WeakPolarHBondContact O-CG 3.2Å; Y42-Q46 PolarHBondContact O-N 2.68Å; Y42-N108 HydrophobicContact CD2-CB 3.49Å; Y42-N108 VanDerWaalsContact CD2-CB 3.49Å; Y42-N108 HydrophobicContact CE2-CB 3.59Å; Y42-I109 WeakPolarHBondContact CB-O 3.27Å; Y42-C110 HydrophobicContact CD1-CB 4.19Å; Y42-C110 HydrophobicContact CG-CB 4.04Å; Y42-V131 HydrophobicContact CE2-CB 4.07Å; Y42-V131 HydrophobicContact CE2-CG1 4.42Å; Y42-V131 HydrophobicContact CE2-CG2 4.37Å; Y42-V131 WeakPolarHBondContact OH-CG1 3.12Å; Y42-L266 HydrophobicContact CE1-CB 4.42Å |
| 43 | L | 89.1 | Confident | 78.8 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -64.3 | -35.5 | -175.7 | -54.8 | 177.2 | 0 | 0 | 0 | 111.9 | I37 S40 R45 Q46 Y47 L89 V92 H93 V111 | I37-L43 HydrophobicContact CD1-CB 3.94Å; I37-L43 VanDerWaalsContact CD1-O 3.22Å; I37-L43 WeakPolarHBondContact CD1-O 3.3Å; I37-L43 HydrophobicContact CG1-CB 3.9Å; S40-L43 VanDerWaalsContact OG-CB 3.23Å; S40-L43 WeakPolarHBondContact OG-CB 3.37Å; S40-L43 WeakPolarHBondContact OG-CD1 3.41Å; S40-L43 WeakPolarHBondContact OG-CG 3.18Å; S40-L43 PolarHBondContact OG-N 3.49Å; L43-R45 VanDerWaalsContact C-N 3.26Å; L43-R45 PolarHBondContact O-N 3.49Å; L43-Q46 CarbonylContact O-C 3.6Å; L43-Q46 PolarHBondContact O-N 2.85Å; L43-Q46 VanDerWaalsContact O-N 3.08Å; L43-Y47 PolarHBondContact O-N 3.42Å; L43-Y47 VanDerWaalsContact O-N 3.15Å; L43-L89 HydrophobicContact CD2-CD2 4.22Å; L43-V92 HydrophobicContact CD1-CB 4.48Å; L43-V92 HydrophobicContact CD1-CG1 3.96Å; L43-V92 HydrophobicContact CD2-CB 4.45Å; L43-V92 HydrophobicContact CD2-CG1 3.68Å; L43-V92 HydrophobicContact CG-CG1 4.46Å; L43-H93 HydrophobicContact CD1-CB 3.85Å; L43-V111 HydrophobicContact CD2-CG2 3.6Å |
| 44 | C | 87.4 | Confident | 76.4 | Confident | 13 Ų | 13 | 57.9 Ų | 57.9 | 9% | 0.088 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -61.2 | -36.5 | 177.4 | 70.2 | 0 | 0 | 0 | 0 | 112.3 | F26 L33 I37 S40 Y42 Q46 Y47 | F26-C44 VanDerWaalsContact CE2-O 3.22Å; F26-C44 WeakPolarHBondContact CE2-O 3.46Å; F26-C44 WeakPolarHBondContact CZ-O 3.46Å; L33-C44 HydrophobicContact CD1-CB 4.13Å; I37-C44 HydrophobicContact CG1-CB 4.43Å; I37-C44 HydrophobicContact CG2-CB 4.14Å; I37-C44 WeakPolarHBondContact O-CB 3.33Å; S40-C44 WeakPolarHBondContact O-CB 3.42Å; S40-C44 PolarHBondContact O-N 3.28Å; S40-C44 VanDerWaalsContact O-N 3.15Å; S40-C44 PolarHBondContact O-SG 3.23Å; Y42-C44 VanDerWaalsContact C-N 3.3Å; Y42-C44 PolarHBondContact O-N 3.26Å; C44-Q46 VanDerWaalsContact C-N 3.28Å; C44-Q46 PolarHBondContact O-N 2.99Å; C44-Y47 WeakPolarHBondContact O-CB 3.44Å; C44-Y47 PolarHBondContact O-N 2.97Å |
| 45 | R | 83.1 | Confident | 73.6 | Confident | 66 Ų | 66 | 62.5 Ų | 62.5 | 25% | 0.249 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -75.5 | -17.8 | 177.4 | -63.5 | 174.1 | -175.9 | -108.7 | -0.2 | 113.3 | F26 P41 Y42 L43 K267 | F26-R45 HydrophobicContact CE1-CG 3.74Å; F26-R45 HydrophobicContact CZ-CB 4.17Å; F26-R45 HydrophobicContact CZ-CG 3.75Å; P41-R45 WeakPolarHBondContact O-CD 3.14Å; P41-R45 PolarHBondContact O-NE 2.96Å; Y42-R45 PolarHBondContact O-N 3.2Å; Y42-R45 VanDerWaalsContact O-N 3.12Å; L43-R45 VanDerWaalsContact C-N 3.26Å; L43-R45 PolarHBondContact O-N 3.49Å; R45-K267 VanDerWaalsContact CZ-O 3.27Å; R45-K267 PolarHBondContact NH1-O 2.99Å; R45-K267 PolarHBondContact NH2-O 3.17Å |
| 46 | Q | 86.8 | Confident | 71 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -102.8 | 11.2 | 178.6 | -64 | -179.3 | -43.2 | 0 | 0 | 111.9 | Y42 L43 C44 L89 C110 V111 V116 F271 F272 | Y42-Q46 WeakPolarHBondContact O-CG 3.2Å; Y42-Q46 PolarHBondContact O-N 2.68Å; L43-Q46 CarbonylContact O-C 3.6Å; L43-Q46 PolarHBondContact O-N 2.85Å; L43-Q46 VanDerWaalsContact O-N 3.08Å; C44-Q46 VanDerWaalsContact C-N 3.28Å; C44-Q46 PolarHBondContact O-N 2.99Å; Q46-L89 HydrophobicContact CB-CD2 4.38Å; Q46-L89 VanDerWaalsContact O-CD1 3.24Å; Q46-L89 WeakPolarHBondContact O-CD1 3.38Å; Q46-C110 PolarHBondContact NE2-SG 3.31Å; Q46-V111 PolarHBondContact NE2-O 3.18Å; Q46-V116 HydrophobicContact CB-CG1 4.45Å; Q46-F271 HydrophobicContact CG-CD2 3.83Å; Q46-F271 HydrophobicContact CG-CE2 4.29Å; Q46-F271 HydrophobicContact CG-CG 4.16Å; Q46-F272 VanDerWaalsContact CA-CE2 3.5Å; Q46-F272 WeakPolarHBondContact O-CE2 3.19Å |
| 47 | Y | 85.5 | Confident | 68 | Low | 24 Ų | 24 | 59.5 Ų | 59.5 | 9% | 0.094 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -86.3 | 128.7 | 172 | -163.4 | -93.6 | 0 | 0 | 0 | 111.1 | L33 P34 W36 I37 L43 C44 I49 I86 L89 | L33-Y47 HydrophobicContact CD2-CD1 3.46Å; L33-Y47 VanDerWaalsContact CD2-CD1 3.46Å; L33-Y47 HydrophobicContact CD2-CE1 4.33Å; L33-Y47 HydrophobicContact CD2-CG 3.84Å; P34-Y47 HydrophobicContact CG-CE1 4.28Å; P34-Y47 HydrophobicContact CG-CE2 4Å; W36-Y47 HydrophobicContact CH2-CD2 4Å; W36-Y47 AromaticContact CH2-CE2 3.7Å; W36-Y47 HydrophobicContact CH2-CE2 3.7Å; W36-Y47 HydrophobicContact CZ2-CD2 4.28Å; W36-Y47 AromaticContact CZ2-CE2 3.58Å; W36-Y47 HydrophobicContact CZ2-CE2 3.58Å; I37-Y47 HydrophobicContact CD1-CD2 3.55Å; I37-Y47 HydrophobicContact CD1-CE2 4.49Å; I37-Y47 HydrophobicContact CD1-CG 4.1Å; L43-Y47 PolarHBondContact O-N 3.42Å; L43-Y47 VanDerWaalsContact O-N 3.15Å; C44-Y47 WeakPolarHBondContact O-CB 3.44Å; C44-Y47 PolarHBondContact O-N 2.97Å; Y47-I49 HydrophobicContact CD1-CG1 4.4Å; Y47-I49 PolarHBondContact O-N 3.1Å; Y47-I86 HydrophobicContact CE2-CB 4.49Å; Y47-I86 HydrophobicContact CE2-CG1 3.99Å; Y47-I86 HydrophobicContact CE2-CG2 4.06Å; Y47-L89 HydrophobicContact CD2-CD1 3.83Å; Y47-L89 HydrophobicContact CG-CD1 4.49Å |
| 48 | P | 77.6 | Confident | 65.3 | Low | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.006 | 38% | 0.383 | C | S | . | . | trans | -76.4 | 113 | 176.6 | 30.4 | -34.3 | 0 | 0 | 0 | 111 | I19 L21 R82 L85 I86 | I19-P48 HydrophobicContact CG2-CB 3.92Å; I19-P48 HydrophobicContact CG2-CG 4.44Å; L21-P48 HydrophobicContact CD2-CB 4.04Å; P48-R82 HydrophobicContact CG-CG 4.08Å; P48-R82 PolarHBondContact O-NH2 2.84Å; P48-L85 HydrophobicContact CG-CD2 4.07Å; P48-I86 HydrophobicContact CG-CG1 4.12Å | ||
| 49 | I | 71.5 | Confident | 62.6 | Low | 8 Ų | 8 | 69 Ų | 69 | 4% | 0.041 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -91.9 | 136.4 | 171.7 | -41.5 | 175.7 | 0 | 0 | 0 | 107.9 | E23 F26 A29 R32 L33 Y47 A51 | E23-I49 HydrophobicContact CG-CB 4.39Å; E23-I49 WeakPolarHBondContact OE1-CA 3.26Å; E23-I49 WeakPolarHBondContact OE1-CB 3.36Å; E23-I49 WeakPolarHBondContact OE1-CG1 3.03Å; E23-I49 PolarHBondContact OE1-N 3.13Å; E23-I49 WeakPolarHBondContact OE2-CD1 3.42Å; F26-I49 HydrophobicContact CD2-CD1 4.45Å; F26-I49 HydrophobicContact CE2-CD1 4.5Å; A29-I49 HydrophobicContact CB-CD1 3.41Å; A29-I49 VanDerWaalsContact CB-CD1 3.41Å; A29-I49 HydrophobicContact CB-CG2 4.36Å; R32-I49 HydrophobicContact CB-CG2 3.89Å; L33-I49 HydrophobicContact CD2-CD1 3.54Å; L33-I49 HydrophobicContact CD2-CG1 3.65Å; L33-I49 HydrophobicContact CG-CD1 3.82Å; L33-I49 HydrophobicContact CG-CG1 4.44Å; Y47-I49 HydrophobicContact CD1-CG1 4.4Å; Y47-I49 PolarHBondContact O-N 3.1Å; I49-A51 PolarHBondContact O-N 2.92Å; I49-A51 VanDerWaalsContact O-N 3.17Å |
| 50 | S | 62.7 | Low | 60.1 | Low | 75 Ų | 75 | 68.6 Ų | 68.6 | 52% | 0.524 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 116.7 | -178.8 | 10.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 51 | A | 50.5 | Low | 57.8 | Low | 42 Ų | 42 | 75 Ų | 75 | 35% | 0.347 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 146.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | I49 Q53 | I49-A51 PolarHBondContact O-N 2.92Å; I49-A51 VanDerWaalsContact O-N 3.17Å; A51-Q53 PolarHBondContact O-N 3.39Å |
| 52 | E | 39.6 | Very low | 55.7 | Low | 169 Ų | 169 | 77 Ų | 77 | 79% | 0.79 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 126 | 173.5 | -76.6 | 171.6 | -168.3 | 0 | 0 | 109.3 | S54 | E52-S54 PolarHBondContact O-N 3.01Å; E52-S54 VanDerWaalsContact O-N 3.17Å |
| 53 | Q | 40.3 | Very low | 53.8 | Low | 165 Ų | 165 | 87.5 Ų | 87.5 | 77% | 0.771 | 48% | 0.481 | S | S | * | . | trans | -58.3 | 113.2 | -171.6 | -63.9 | 169.9 | -18.8 | 0 | 0 | 110.5 | A51 S55 | A51-Q53 PolarHBondContact O-N 3.39Å; Q53-S55 PolarHBondContact O-N 3.27Å | ||
| 54 | S | 32.6 | Very low | 52.2 | Low | 109 Ų | 109 | 91.8 Ų | 91.8 | 76% | 0.762 | 50% | 0.501 | S | S | * | . | trans | -72.8 | 109.1 | 158.9 | 52.3 | 0 | 0 | 0 | 0 | 107.7 | E52 A56 | E52-S54 PolarHBondContact O-N 3.01Å; E52-S54 VanDerWaalsContact O-N 3.17Å; S54-A56 PolarHBondContact O-N 3.44Å | ||
| 55 | S | 29.3 | Very low | 51.8 | Low | 121 Ų | 121 | 93.5 Ų | 93.5 | 85% | 0.846 | 51% | 0.51 | S | S | * | . | trans | -70.4 | 79.2 | 171.3 | 61.9 | 0 | 0 | 0 | 0 | 109.2 | Q53 G57 | Q53-S55 PolarHBondContact O-N 3.27Å; S55-G57 PolarHBondContact O-N 3.37Å | ||
| 56 | A | 36 | Very low | 52 | Low | 48 Ų | 48 | 97.7 Ų | 97.7 | 40% | 0.397 | 53% | 0.525 | S | S | . | . | trans | -79.2 | 104 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | S54 | S54-A56 PolarHBondContact O-N 3.44Š| ||
| 57 | G | 29.3 | Very low | 52 | Low | 59 Ų | 59 | 98 Ų | 98 | 61% | 0.608 | 53% | 0.527 | S | S | * | . | trans | -68 | 154.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | S55 T59 | S55-G57 PolarHBondContact O-N 3.37Å; G57-T59 PolarHBondContact O-N 3.39Å | ||
| 58 | F | 32.7 | Very low | 52 | Low | 172 Ų | 172 | 97 Ų | 97 | 75% | 0.754 | 52% | 0.524 | S | S | * | . | trans | -56.1 | 114.3 | 170.6 | -70 | -89.4 | 0 | 0 | 0 | 110.3 | F61 | F58-F61 HydrophobicContact CD1-CE2 4.29Š| ||
| 59 | T | 33 | Very low | 52.3 | Low | 117 Ų | 117 | 99.8 Ų | 99.8 | 72% | 0.718 | 54% | 0.538 | S | S | * | . | trans | -96.2 | 141.1 | 161.7 | 51.3 | 0 | 0 | 0 | 0 | 109.8 | G57 | G57-T59 PolarHBondContact O-N 3.39Š| ||
| 60 | N | 34.1 | Very low | 53 | Low | 156 Ų | 156 | 101.7 Ų | 101.7 | 83% | 0.834 | 55% | 0.547 | S | S | * | . | trans | -57.3 | 132.9 | -165.3 | -76 | -39.8 | 0 | 0 | 0 | 114 | S62 | N60-S62 PolarHBondContact O-N 2.79Š| ||
| 61 | F | 39.3 | Very low | 54.1 | Low | 135 Ų | 135 | 98.1 Ų | 98.1 | 59% | 0.592 | 52% | 0.522 | S | S | * | . | trans | -69.8 | 78.6 | 179 | -71.6 | -110.1 | 0 | 0 | 0 | 111.9 | F58 Q64 | F58-F61 HydrophobicContact CD1-CE2 4.29Å; F61-Q64 HydrophobicContact CD1-CG 4.46Å | ||
| 62 | S | 42.5 | Very low | 55.6 | Low | 104 Ų | 104 | 96.9 Ų | 96.9 | 73% | 0.727 | 51% | 0.509 | S | S | * | . | trans | -98.4 | 111.4 | 171.7 | 64.8 | 0 | 0 | 0 | 0 | 111.3 | N60 | N60-S62 PolarHBondContact O-N 2.79Š| ||
| 63 | R | 47.3 | Very low | 57.8 | Low | 252 Ų | 252 | 90.9 Ų | 90.9 | 95% | 0.951 | 49% | 0.489 | S | S | * | . | S | Bend | trans | 55 | 67.2 | 174.4 | -69.4 | -173.7 | 176.4 | -176.3 | -0.4 | 115.1 | ||
| 64 | Q | 56.2 | Low | 59.8 | Low | 91 Ų | 91 | 85.6 Ų | 85.6 | 43% | 0.425 | 46% | 0.463 | S | S | . | . | trans | -80.7 | 137 | 173 | -74.1 | 176.8 | -16.9 | 0 | 0 | 112.3 | F61 R66 M69 | F61-Q64 HydrophobicContact CD1-CG 4.46Å; Q64-R66 PolarHBondContact O-N 3.24Å; Q64-M69 HydrophobicContact CB-CE 4.05Å; Q64-M69 HydrophobicContact CB-CG 3.97Å; Q64-M69 HydrophobicContact CG-CE 3.78Å; Q64-M69 HydrophobicContact CG-SD 4.42Å; Q64-M69 PolarHBondContact OE1-SD 2.99Å | ||
| 65 | D | 78.8 | Confident | 62.2 | Low | 49 Ų | 49 | 82.1 Ų | 82.1 | 26% | 0.262 | 43% | 0.433 | S | S | . | . | trans | -60.5 | 119.6 | 165 | -175.3 | -23.3 | 0 | 0 | 0 | 109.1 | L67 A68 M69 N286 | D65-L67 PolarHBondContact O-N 2.99Å; D65-L67 WeakPolarHBondContact OD1-CB 3.41Å; D65-L67 PolarHBondContact OD1-N 2.88Å; D65-A68 HydrophobicContact CB-CB 4.05Å; D65-A68 WeakPolarHBondContact O-CB 3.42Å; D65-A68 PolarHBondContact O-N 3.19Å; D65-A68 VanDerWaalsContact O-N 3.12Å; D65-M69 PolarHBondContact O-N 2.91Å; D65-N286 PolarHBondContact OD2-ND2 3.22Å | ||
| 66 | R | 85.6 | Confident | 64.7 | Low | 153 Ų | 153 | 79 Ų | 79 | 58% | 0.577 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -54.4 | -41.5 | -178.7 | 176.6 | -176.4 | 170.3 | 179.5 | -2.1 | 111.6 | Q64 A68 M69 E70 | Q64-R66 PolarHBondContact O-N 3.24Å; R66-A68 VanDerWaalsContact C-N 3.32Å; R66-A68 PolarHBondContact O-N 2.81Å; R66-M69 PolarHBondContact O-N 3.33Å; R66-E70 IonicContact CZ-OE1 3.48Å; R66-E70 IonicContact NE-OE1 2.87Å; R66-E70 PolarHBondContact NE-OE1 3.01Å; R66-E70 IonicContact NH2-OE1 3.2Å; R66-E70 PolarHBondContact NH2-OE1 3.33Å; R66-E70 PolarHBondContact O-N 2.96Å |
| 67 | L | 86.9 | Confident | 66.9 | Low | 7 Ų | 7 | 83.4 Ų | 83.4 | 4% | 0.037 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.8 | -42.1 | -178.7 | 175.2 | 60.1 | 0 | 0 | 0 | 110.7 | D65 M69 E70 I71 L360 L366 | D65-L67 PolarHBondContact O-N 2.99Å; D65-L67 WeakPolarHBondContact OD1-CB 3.41Å; D65-L67 PolarHBondContact OD1-N 2.88Å; L67-M69 VanDerWaalsContact C-N 3.28Å; L67-M69 PolarHBondContact O-N 2.91Å; L67-E70 PolarHBondContact O-N 2.62Å; L67-I71 HydrophobicContact CD1-CD1 4.06Å; L67-I71 HydrophobicContact CD1-CG1 4.27Å; L67-I71 HydrophobicContact CG-CD1 3.9Å; L67-I71 VanDerWaalsContact O-CG1 3.27Å; L67-I71 WeakPolarHBondContact O-CG1 3.25Å; L67-I71 PolarHBondContact O-N 3.33Å; L67-L360 HydrophobicContact CD1-CD2 3.7Å; L67-L360 HydrophobicContact CD2-CD2 3.96Å; L67-L366 HydrophobicContact CD1-CB 4.29Å |
| 68 | A | 85.5 | Confident | 69.4 | Low | 5 Ų | 5 | 82 Ų | 82 | 4% | 0.041 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.6 | -41 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D65 R66 I71 I72 V287 | D65-A68 HydrophobicContact CB-CB 4.05Å; D65-A68 WeakPolarHBondContact O-CB 3.42Å; D65-A68 PolarHBondContact O-N 3.19Å; D65-A68 VanDerWaalsContact O-N 3.12Å; R66-A68 VanDerWaalsContact C-N 3.32Å; R66-A68 PolarHBondContact O-N 2.81Å; A68-I71 WeakPolarHBondContact O-CB 3.36Å; A68-I71 PolarHBondContact O-N 2.83Å; A68-I72 WeakPolarHBondContact O-CD1 2.96Å; A68-I72 WeakPolarHBondContact O-CG1 3.02Å; A68-I72 PolarHBondContact O-N 3.49Å; A68-V287 HydrophobicContact CB-CG2 3.79Å |
| 69 | M | 84.6 | Confident | 71.8 | Confident | 58 Ų | 58 | 74.6 Ų | 74.6 | 29% | 0.286 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68 | -40.4 | 177.3 | -68.8 | -55.7 | 118.8 | 0 | 0 | 113.3 | Q64 D65 R66 L67 I71 I72 A73 | Q64-M69 HydrophobicContact CB-CE 4.05Å; Q64-M69 HydrophobicContact CB-CG 3.97Å; Q64-M69 HydrophobicContact CG-CE 3.78Å; Q64-M69 HydrophobicContact CG-SD 4.42Å; Q64-M69 PolarHBondContact OE1-SD 2.99Å; D65-M69 PolarHBondContact O-N 2.91Å; R66-M69 PolarHBondContact O-N 3.33Å; L67-M69 VanDerWaalsContact C-N 3.28Å; L67-M69 PolarHBondContact O-N 2.91Å; M69-I71 VanDerWaalsContact C-N 3.29Å; M69-I71 PolarHBondContact O-N 3.43Å; M69-I72 HydrophobicContact CE-CD1 3.66Å; M69-I72 PolarHBondContact O-N 3.42Å; M69-I72 HydrophobicContact SD-CD1 4.39Å; M69-A73 VanDerWaalsContact O-CB 3.3Å; M69-A73 WeakPolarHBondContact O-CB 3.29Å; M69-A73 PolarHBondContact O-N 3.16Å |
| 70 | E | 87.2 | Confident | 74.3 | Confident | 49 Ų | 49 | 69.4 Ų | 69.4 | 23% | 0.229 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 175.4 | -71.1 | -178.2 | -171.6 | 0 | 0 | 111.4 | R66 L67 F74 S365 L366 | R66-E70 IonicContact CZ-OE1 3.48Å; R66-E70 IonicContact NE-OE1 2.87Å; R66-E70 PolarHBondContact NE-OE1 3.01Å; R66-E70 IonicContact NH2-OE1 3.2Å; R66-E70 PolarHBondContact NH2-OE1 3.33Å; R66-E70 PolarHBondContact O-N 2.96Å; L67-E70 PolarHBondContact O-N 2.62Å; E70-F74 VanDerWaalsContact O-CB 3.26Å; E70-F74 WeakPolarHBondContact O-CB 3.27Å; E70-F74 PolarHBondContact O-N 3.4Å; E70-S365 PolarHBondContact OE1-OG 2.94Å; E70-S365 WeakPolarHBondContact OE2-CA 3.03Å; E70-S365 WeakPolarHBondContact OE2-CB 3.2Å; E70-S365 PolarHBondContact OE2-OG 3Å; E70-L366 HydrophobicContact CB-CB 4.09Å; E70-L366 PolarHBondContact OE2-N 3.3Å |
| 71 | I | 84.7 | Confident | 76.8 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.8 | -50.1 | 175.5 | -72 | 167.4 | 0 | 0 | 0 | 111.6 | L67 A68 M69 F74 Y75 L216 I219 V287 L291 L366 | L67-I71 HydrophobicContact CD1-CD1 4.06Å; L67-I71 HydrophobicContact CD1-CG1 4.27Å; L67-I71 HydrophobicContact CG-CD1 3.9Å; L67-I71 VanDerWaalsContact O-CG1 3.27Å; L67-I71 WeakPolarHBondContact O-CG1 3.25Å; L67-I71 PolarHBondContact O-N 3.33Å; A68-I71 WeakPolarHBondContact O-CB 3.36Å; A68-I71 PolarHBondContact O-N 2.83Å; M69-I71 VanDerWaalsContact C-N 3.29Å; M69-I71 PolarHBondContact O-N 3.43Å; I71-F74 PolarHBondContact O-N 3.26Å; I71-Y75 PolarHBondContact O-N 2.84Å; I71-L216 HydrophobicContact CD1-CD2 4.16Å; I71-L216 HydrophobicContact CG2-CD2 3.54Å; I71-I219 HydrophobicContact CB-CD1 4.01Å; I71-I219 HydrophobicContact CG1-CD1 3.72Å; I71-I219 HydrophobicContact CG2-CD1 3.7Å; I71-V287 HydrophobicContact CB-CG2 4.15Å; I71-V287 HydrophobicContact CD1-CG2 4.35Å; I71-V287 HydrophobicContact CG2-CB 4.13Å; I71-V287 HydrophobicContact CG2-CG2 3.78Å; I71-L291 HydrophobicContact CD1-CB 3.95Å; I71-L291 HydrophobicContact CD1-CD2 3.55Å; I71-L291 HydrophobicContact CD1-CG 4.39Å; I71-L291 HydrophobicContact CG1-CD2 4Å; I71-L366 HydrophobicContact CG1-CD1 4.18Å |
| 72 | I | 83.3 | Confident | 78.9 | Confident | 15 Ų | 15 | 60.2 Ų | 60.2 | 8% | 0.077 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61 | -48 | -179.7 | -76.4 | 159.8 | 0 | 0 | 0 | 110.4 | E13 A68 M69 F74 Y75 Y76 V287 | E13-I72 HydrophobicContact CG-CG2 4.38Å; E13-I72 WeakPolarHBondContact OE1-CD1 3.1Å; E13-I72 VanDerWaalsContact OE1-CG1 3.25Å; E13-I72 WeakPolarHBondContact OE1-CG1 3.43Å; E13-I72 WeakPolarHBondContact OE1-CG2 3.44Å; A68-I72 WeakPolarHBondContact O-CD1 2.96Å; A68-I72 WeakPolarHBondContact O-CG1 3.02Å; A68-I72 PolarHBondContact O-N 3.49Å; M69-I72 HydrophobicContact CE-CD1 3.66Å; M69-I72 PolarHBondContact O-N 3.42Å; M69-I72 HydrophobicContact SD-CD1 4.39Å; I72-F74 VanDerWaalsContact C-N 3.33Å; I72-F74 PolarHBondContact O-N 2.96Å; I72-Y75 WeakPolarHBondContact O-CB 3.46Å; I72-Y75 PolarHBondContact O-N 3.24Å; I72-Y76 HydrophobicContact CG2-CD2 3.9Å; I72-Y76 HydrophobicContact CG2-CE2 3.83Å; I72-Y76 VanDerWaalsContact O-CD2 3.27Å; I72-Y76 WeakPolarHBondContact O-CD2 3.21Å; I72-Y76 PolarHBondContact O-N 3.27Å; I72-Y76 VanDerWaalsContact O-N 3.1Å; I72-V287 HydrophobicContact CD1-CG2 4.26Å; I72-V287 HydrophobicContact CG1-CG2 4.22Å |
| 73 | A | 84.5 | Confident | 81.1 | Confident | 44 Ų | 44 | 61 Ų | 61 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | M69 Y75 Y76 Q77 | M69-A73 VanDerWaalsContact O-CB 3.3Å; M69-A73 WeakPolarHBondContact O-CB 3.29Å; M69-A73 PolarHBondContact O-N 3.16Å; A73-Y75 VanDerWaalsContact C-N 3.34Å; A73-Y75 PolarHBondContact O-N 3.14Å; A73-Y76 PolarHBondContact O-N 3.28Å; A73-Q77 VanDerWaalsContact O-CG 3.29Å; A73-Q77 WeakPolarHBondContact O-CG 3.21Å; A73-Q77 PolarHBondContact O-N 3.49Å; A73-Q77 VanDerWaalsContact O-N 3.13Å |
| 74 | F | 83.4 | Confident | 83.1 | Confident | 53 Ų | 53 | 50.7 Ų | 50.7 | 23% | 0.232 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61 | -42.5 | 176 | 176.6 | -89.8 | 0 | 0 | 0 | 112.1 | E70 I71 I72 Q77 S78 I219 L366 | E70-F74 VanDerWaalsContact O-CB 3.26Å; E70-F74 WeakPolarHBondContact O-CB 3.27Å; E70-F74 PolarHBondContact O-N 3.4Å; I71-F74 PolarHBondContact O-N 3.26Å; I72-F74 VanDerWaalsContact C-N 3.33Å; I72-F74 PolarHBondContact O-N 2.96Å; F74-Q77 PolarHBondContact O-N 3.46Å; F74-S78 WeakPolarHBondContact CZ-OG 3.5Å; F74-S78 WeakPolarHBondContact O-CB 3.33Å; F74-S78 PolarHBondContact O-N 3.32Å; F74-S78 PolarHBondContact O-OG 2.89Å; F74-I219 HydrophobicContact CD1-CD1 4.27Å; F74-I219 HydrophobicContact CD1-CG1 3.43Å; F74-I219 VanDerWaalsContact CD1-CG1 3.43Å; F74-I219 HydrophobicContact CE1-CB 4.4Å; F74-I219 HydrophobicContact CE1-CG1 3.62Å; F74-I219 HydrophobicContact CG-CG1 4.34Å; F74-L366 HydrophobicContact CB-CD2 3.76Å; F74-L366 HydrophobicContact CD1-CD2 4.46Å; F74-L366 HydrophobicContact CD2-CD2 4.26Å; F74-L366 HydrophobicContact CG-CD2 3.9Å |
| 75 | Y | 83.1 | Confident | 84.7 | Confident | 36 Ų | 36 | 46.3 Ų | 46.3 | 14% | 0.141 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.3 | -52.1 | 177.4 | 169.8 | -100.2 | 0 | 0 | 0 | 111.3 | V18 I71 I72 A73 Q77 S78 V79 K215 | V18-Y75 HydrophobicContact CG1-CE1 4.37Å; I71-Y75 PolarHBondContact O-N 2.84Å; I72-Y75 WeakPolarHBondContact O-CB 3.46Å; I72-Y75 PolarHBondContact O-N 3.24Å; A73-Y75 VanDerWaalsContact C-N 3.34Å; A73-Y75 PolarHBondContact O-N 3.14Å; Y75-Q77 VanDerWaalsContact C-N 3.29Å; Y75-Q77 PolarHBondContact O-N 3.01Å; Y75-S78 PolarHBondContact O-N 2.94Å; Y75-S78 VanDerWaalsContact O-N 3.09Å; Y75-V79 HydrophobicContact CD2-CB 4.48Å; Y75-V79 HydrophobicContact CE1-CG1 4.41Å; Y75-V79 HydrophobicContact CE2-CB 4.09Å; Y75-V79 HydrophobicContact CE2-CG2 4.09Å; Y75-V79 WeakPolarHBondContact O-CB 3.34Å; Y75-V79 WeakPolarHBondContact O-CG1 3.48Å; Y75-V79 PolarHBondContact O-N 3.19Å; Y75-K215 HydrophobicContact CD1-CB 4.14Å; Y75-K215 HydrophobicContact CD1-CD 3.88Å; Y75-K215 HydrophobicContact CD1-CG 3.77Å; Y75-K215 HydrophobicContact CD2-CB 3.66Å; Y75-K215 HydrophobicContact CD2-CG 3.88Å; Y75-K215 WeakPolarHBondContact CD2-O 3.48Å; Y75-K215 HydrophobicContact CE1-CB 4.49Å; Y75-K215 HydrophobicContact CE1-CD 3.96Å; Y75-K215 HydrophobicContact CE1-CG 3.71Å; Y75-K215 HydrophobicContact CE2-CB 4.03Å; Y75-K215 HydrophobicContact CE2-CG 3.81Å; Y75-K215 HydrophobicContact CG-CB 3.71Å; Y75-K215 HydrophobicContact CG-CD 4.32Å; Y75-K215 HydrophobicContact CG-CG 3.85Å |
| 76 | Y | 81.9 | Confident | 85.4 | Confident | 55 Ų | 55 | 44.8 Ų | 44.8 | 22% | 0.216 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.5 | -33.8 | -179.4 | -81.4 | -65.7 | 0 | 0 | 0 | 114.2 | E13 S15 V18 I72 A73 S78 | E13-Y76 HydrophobicContact CB-CE2 4.36Å; E13-Y76 WeakPolarHBondContact CB-OH 3.41Å; E13-Y76 VanDerWaalsContact CD-CE2 3.44Å; E13-Y76 HydrophobicContact CG-CE2 3.57Å; E13-Y76 WeakPolarHBondContact CG-OH 3.45Å; E13-Y76 PolarHBondContact O-OH 3.22Å; E13-Y76 WeakPolarHBondContact OE2-CE2 3.48Å; E13-Y76 PolarHBondContact OE2-OH 3.02Å; E13-Y76 VanDerWaalsContact OE2-OH 3.11Å; S15-Y76 WeakPolarHBondContact OG-CD1 3.18Å; S15-Y76 WeakPolarHBondContact OG-CE1 3.16Å; V18-Y76 HydrophobicContact CB-CE1 4.24Å; V18-Y76 HydrophobicContact CG2-CD1 3.51Å; V18-Y76 HydrophobicContact CG2-CE1 3.7Å; I72-Y76 HydrophobicContact CG2-CD2 3.9Å; I72-Y76 HydrophobicContact CG2-CE2 3.83Å; I72-Y76 VanDerWaalsContact O-CD2 3.27Å; I72-Y76 WeakPolarHBondContact O-CD2 3.21Å; I72-Y76 PolarHBondContact O-N 3.27Å; I72-Y76 VanDerWaalsContact O-N 3.1Å; A73-Y76 PolarHBondContact O-N 3.28Å; Y76-S78 VanDerWaalsContact C-N 3.34Å |
| 77 | Q | 82.2 | Confident | 85.7 | Confident | 142 Ų | 142 | 41.2 Ų | 41.2 | 66% | 0.664 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -74.6 | -27.2 | 176.8 | -69.7 | 173.7 | 15.6 | 0 | 0 | 112.6 | A73 F74 Y75 | A73-Q77 VanDerWaalsContact O-CG 3.29Å; A73-Q77 WeakPolarHBondContact O-CG 3.21Å; A73-Q77 PolarHBondContact O-N 3.49Å; A73-Q77 VanDerWaalsContact O-N 3.13Å; F74-Q77 PolarHBondContact O-N 3.46Å; Y75-Q77 VanDerWaalsContact C-N 3.29Å; Y75-Q77 PolarHBondContact O-N 3.01Å |
| 78 | S | 81.2 | Confident | 86.1 | Confident | 28 Ų | 28 | 41 Ų | 41 | 20% | 0.196 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -97.7 | -34.7 | -170.6 | -61 | 0 | 0 | 0 | 0 | 113.3 | F74 Y75 Y76 S121 Q122 | F74-S78 WeakPolarHBondContact CZ-OG 3.5Å; F74-S78 WeakPolarHBondContact O-CB 3.33Å; F74-S78 PolarHBondContact O-N 3.32Å; F74-S78 PolarHBondContact O-OG 2.89Å; Y75-S78 PolarHBondContact O-N 2.94Å; Y75-S78 VanDerWaalsContact O-N 3.09Å; Y76-S78 VanDerWaalsContact C-N 3.34Å; S78-S121 CarbonylContact O-C 3.41Å; S78-S121 WeakPolarHBondContact O-CA 3.37Å; S78-S121 WeakPolarHBondContact O-CB 3.09Å; S78-Q122 PolarHBondContact O-N 2.97Å |
| 79 | V | 83.7 | Confident | 86.6 | Confident | 18 Ų | 18 | 40.8 Ų | 40.8 | 11% | 0.109 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -60.7 | 145.1 | -174.2 | 67.1 | 0 | 0 | 0 | 0 | 111.9 | V18 Y75 P81 | V18-V79 HydrophobicContact CB-CG1 4.46Å; V18-V79 HydrophobicContact CG1-CG1 4.18Å; V18-V79 HydrophobicContact CG1-CG2 4.43Å; V18-V79 HydrophobicContact CG2-CG1 3.45Å; V18-V79 VanDerWaalsContact CG2-CG1 3.45Å; Y75-V79 HydrophobicContact CD2-CB 4.48Å; Y75-V79 HydrophobicContact CE1-CG1 4.41Å; Y75-V79 HydrophobicContact CE2-CB 4.09Å; Y75-V79 HydrophobicContact CE2-CG2 4.09Å; Y75-V79 WeakPolarHBondContact O-CB 3.34Å; Y75-V79 WeakPolarHBondContact O-CG1 3.48Å; Y75-V79 PolarHBondContact O-N 3.19Å; V79-P81 WeakPolarHBondContact O-CD 3.22Å |
| 80 | Q | 85 | Confident | 87.1 | Confident | 7 Ų | 7 | 44.6 Ų | 44.6 | 3% | 0.033 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 122.4 | 176.3 | -177.3 | -178.5 | -102.2 | 0 | 0 | 110.9 | I19 K84 S115 G120 | I19-Q80 WeakPolarHBondContact CD1-O 3.49Å; I19-Q80 WeakPolarHBondContact CG1-O 3.38Å; Q80-K84 HydrophobicContact CG-CB 4.24Å; Q80-S115 PolarHBondContact NE2-O 3.46Å; Q80-G120 WeakPolarHBondContact CB-O 3.47Å; Q80-G120 PolarHBondContact N-O 3.5Å |
| 81 | P | 85.2 | Confident | 87.5 | Confident | 18 Ų | 18 | 42.2 Ų | 42.2 | 12% | 0.117 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -75.8 | 155.7 | 176.3 | 31.4 | -35.3 | 0 | 0 | 0 | 111.6 | V79 H83 K84 L85 | V79-P81 WeakPolarHBondContact O-CD 3.22Å; P81-H83 VanDerWaalsContact C-N 3.35Å; P81-H83 WeakPolarHBondContact CG-CE1 3.39Å; P81-H83 PolarHBondContact O-N 3.44Å; P81-K84 HydrophobicContact CG-CB 3.96Å; P81-K84 WeakPolarHBondContact O-CB 3.34Å; P81-K84 PolarHBondContact O-N 2.92Å; P81-K84 VanDerWaalsContact O-N 3.07Å; P81-L85 PolarHBondContact O-N 3.33Å |
| 82 | R | 84.1 | Confident | 88.1 | Confident | 81 Ų | 81 | 42.2 Ų | 42.2 | 31% | 0.306 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -57 | -42.6 | -174.3 | -177.9 | 174.2 | 174.6 | -103.8 | 1.1 | 114.1 | E17 I19 P48 K84 L85 I86 | E17-R82 PolarHBondContact O-N 3.35Å; E17-R82 VanDerWaalsContact O-N 3.11Å; I19-R82 HydrophobicContact CD1-CB 4.46Å; I19-R82 HydrophobicContact CG1-CB 3.96Å; I19-R82 HydrophobicContact CG2-CB 4.26Å; I19-R82 HydrophobicContact CG2-CG 4.18Å; P48-R82 HydrophobicContact CG-CG 4.08Å; P48-R82 PolarHBondContact O-NH2 2.84Å; R82-K84 PolarHBondContact O-N 3.07Å; R82-L85 PolarHBondContact O-N 3.26Å; R82-I86 HydrophobicContact CG-CD1 4.04Å; R82-I86 WeakPolarHBondContact O-CG1 3.46Å; R82-I86 PolarHBondContact O-N 3.33Å |
| 83 | H | 87.8 | Confident | 88.7 | Confident | 121 Ų | 121 | 43.3 Ų | 43.3 | 56% | 0.56 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -61.6 | -32.2 | -178.7 | 66.9 | -94.3 | 0 | 0 | 0 | 112 | P81 I86 E87 | P81-H83 VanDerWaalsContact C-N 3.35Å; P81-H83 WeakPolarHBondContact CG-CE1 3.39Å; P81-H83 PolarHBondContact O-N 3.44Å; H83-I86 PolarHBondContact O-N 2.79Å; H83-E87 PolarHBondContact O-N 3.14Å |
| 84 | K | 90.2 | Very high | 89.3 | Confident | 34 Ų | 34 | 46.4 Ų | 46.4 | 15% | 0.148 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -74.4 | -37.8 | 178.9 | -160.8 | 161.2 | -168.2 | 176.9 | 0 | 111.8 | Q80 P81 R82 I86 E87 K88 Q122 N123 Y187 | Q80-K84 HydrophobicContact CG-CB 4.24Å; P81-K84 HydrophobicContact CG-CB 3.96Å; P81-K84 WeakPolarHBondContact O-CB 3.34Å; P81-K84 PolarHBondContact O-N 2.92Å; P81-K84 VanDerWaalsContact O-N 3.07Å; R82-K84 PolarHBondContact O-N 3.07Å; K84-I86 VanDerWaalsContact C-N 3.35Å; K84-E87 PolarHBondContact O-N 3.06Å; K84-K88 WeakPolarHBondContact O-CG 3.41Å; K84-K88 PolarHBondContact O-N 3.32Å; K84-Q122 HydrophobicContact CD-CB 4.49Å; K84-Q122 WeakPolarHBondContact CD-O 3.44Å; K84-Q122 WeakPolarHBondContact CE-O 3.48Å; K84-Q122 PolarHBondContact NZ-O 3.15Å; K84-N123 PolarHBondContact NZ-OD1 3.07Å; K84-Y187 WeakPolarHBondContact CE-OH 3.5Å; K84-Y187 WeakPolarHBondContact CG-OH 3.45Å |
| 85 | L | 90.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.9 | -47.1 | 168.7 | 178.9 | 51.8 | 0 | 0 | 0 | 111.2 | I19 L21 P48 P81 R82 E87 K88 L89 S115 V116 | I19-L85 HydrophobicContact CD1-CB 3.7Å; I19-L85 HydrophobicContact CD1-CD2 3.68Å; I19-L85 HydrophobicContact CD1-CG 4.34Å; L21-L85 HydrophobicContact CD2-CD2 4.01Å; P48-L85 HydrophobicContact CG-CD2 4.07Å; P81-L85 PolarHBondContact O-N 3.33Å; R82-L85 PolarHBondContact O-N 3.26Å; L85-E87 VanDerWaalsContact C-N 3.31Å; L85-E87 PolarHBondContact O-N 3.48Å; L85-K88 WeakPolarHBondContact O-CB 3.2Å; L85-K88 PolarHBondContact O-N 3.4Å; L85-L89 HydrophobicContact CD1-CD1 4.3Å; L85-L89 HydrophobicContact CD1-CG 4.15Å; L85-L89 HydrophobicContact CG-CD1 4.22Å; L85-L89 WeakPolarHBondContact O-CG 3.43Å; L85-L89 PolarHBondContact O-N 3.1Å; L85-S115 WeakPolarHBondContact CD1-O 3.21Å; L85-V116 HydrophobicContact CD1-CG1 4.05Å |
| 86 | I | 91.7 | Very high | 90.4 | Very high | 17 Ų | 17 | 42.5 Ų | 42.5 | 9% | 0.087 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.4 | -41.9 | 178.4 | -68.6 | 169.4 | 0 | 0 | 0 | 111.1 | Y47 P48 R82 H83 K84 L89 R90 | Y47-I86 HydrophobicContact CE2-CB 4.49Å; Y47-I86 HydrophobicContact CE2-CG1 3.99Å; Y47-I86 HydrophobicContact CE2-CG2 4.06Å; P48-I86 HydrophobicContact CG-CG1 4.12Å; R82-I86 HydrophobicContact CG-CD1 4.04Å; R82-I86 WeakPolarHBondContact O-CG1 3.46Å; R82-I86 PolarHBondContact O-N 3.33Å; H83-I86 PolarHBondContact O-N 2.79Å; K84-I86 VanDerWaalsContact C-N 3.35Å; I86-L89 PolarHBondContact O-N 2.65Å; I86-R90 WeakPolarHBondContact O-CG 3.45Å; I86-R90 PolarHBondContact O-N 3.11Å |
| 87 | E | 93.6 | Very high | 91 | Very high | 77 Ų | 77 | 42.8 Ų | 42.8 | 36% | 0.36 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.9 | -45 | 175.1 | -173.2 | -177.7 | -136.4 | 0 | 0 | 112.1 | H83 K84 L85 L89 R90 V91 Y187 | H83-E87 PolarHBondContact O-N 3.14Å; K84-E87 PolarHBondContact O-N 3.06Å; L85-E87 VanDerWaalsContact C-N 3.31Å; L85-E87 PolarHBondContact O-N 3.48Å; E87-L89 VanDerWaalsContact C-N 3.34Å; E87-L89 PolarHBondContact O-N 3.47Å; E87-R90 WeakPolarHBondContact O-CB 3.44Å; E87-R90 PolarHBondContact O-N 3.43Å; E87-V91 PolarHBondContact O-N 2.83Å; E87-Y187 HydrophobicContact CG-CE2 4.22Å; E87-Y187 PolarHBondContact OE2-OH 3.13Å |
| 88 | K | 95.4 | Very high | 91.7 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 1% | 0.013 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.1 | -46.1 | 174.2 | -73.3 | 178 | 166.1 | -172.9 | 0 | 111.5 | K84 L85 R90 V91 V92 S115 C124 I126 Y187 | K84-K88 WeakPolarHBondContact O-CG 3.41Å; K84-K88 PolarHBondContact O-N 3.32Å; L85-K88 WeakPolarHBondContact O-CB 3.2Å; L85-K88 PolarHBondContact O-N 3.4Å; K88-R90 VanDerWaalsContact C-N 3.34Å; K88-R90 PolarHBondContact O-N 3.02Å; K88-V91 WeakPolarHBondContact O-CG1 3.5Å; K88-V91 PolarHBondContact O-N 2.81Å; K88-V92 WeakPolarHBondContact O-CB 3.49Å; K88-V92 WeakPolarHBondContact O-CG2 3.27Å; K88-V92 PolarHBondContact O-N 3.42Å; K88-S115 PolarHBondContact NZ-OG 3.19Å; K88-C124 PolarHBondContact NZ-O 3.49Å; K88-C124 PolarHBondContact NZ-SG 2.6Å; K88-I126 HydrophobicContact CB-CD1 4.05Å; K88-I126 HydrophobicContact CB-CG1 4.44Å; K88-I126 HydrophobicContact CD-CD1 4.34Å; K88-I126 HydrophobicContact CD-CG1 3.98Å; K88-I126 HydrophobicContact CG-CD1 3.81Å; K88-I126 HydrophobicContact CG-CG1 4.02Å; K88-Y187 HydrophobicContact CG-CD2 4.47Å; K88-Y187 HydrophobicContact CG-CE1 4.37Å; K88-Y187 HydrophobicContact CG-CE2 4.26Å |
| 89 | L | 95 | Very high | 92.3 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.4 | -38.1 | 177.7 | -66.7 | 172.2 | 0 | 0 | 0 | 112.5 | W36 L43 Q46 Y47 L85 I86 E87 V92 H93 V111 | W36-L89 HydrophobicContact CH2-CB 4.3Å; L43-L89 HydrophobicContact CD2-CD2 4.22Å; Q46-L89 HydrophobicContact CB-CD2 4.38Å; Q46-L89 VanDerWaalsContact O-CD1 3.24Å; Q46-L89 WeakPolarHBondContact O-CD1 3.38Å; Y47-L89 HydrophobicContact CD2-CD1 3.83Å; Y47-L89 HydrophobicContact CG-CD1 4.49Å; L85-L89 HydrophobicContact CD1-CD1 4.3Å; L85-L89 HydrophobicContact CD1-CG 4.15Å; L85-L89 HydrophobicContact CG-CD1 4.22Å; L85-L89 WeakPolarHBondContact O-CG 3.43Å; L85-L89 PolarHBondContact O-N 3.1Å; I86-L89 PolarHBondContact O-N 2.65Å; E87-L89 VanDerWaalsContact C-N 3.34Å; E87-L89 PolarHBondContact O-N 3.47Å; L89-V92 PolarHBondContact O-N 3.21Å; L89-H93 WeakPolarHBondContact O-CB 3.24Å; L89-H93 PolarHBondContact O-N 3.09Å; L89-V111 HydrophobicContact CD2-CG2 3.95Å |
| 90 | R | 95.2 | Very high | 92.7 | Very high | 137 Ų | 137 | 39.6 Ų | 39.6 | 52% | 0.517 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.1 | -46.1 | 175.8 | -74.6 | 175.6 | -177.8 | 174.4 | 2.4 | 112.1 | W36 I86 E87 K88 V92 H93 Y94 | W36-R90 HydrophobicContact CD2-CG 4.42Å; W36-R90 HydrophobicContact CE3-CG 4.36Å; W36-R90 HydrophobicContact CH2-CB 4.43Å; W36-R90 HydrophobicContact CH2-CG 3.47Å; W36-R90 VanDerWaalsContact CH2-CG 3.47Å; W36-R90 HydrophobicContact CZ2-CG 3.51Å; W36-R90 HydrophobicContact CZ3-CG 3.9Å; I86-R90 WeakPolarHBondContact O-CG 3.45Å; I86-R90 PolarHBondContact O-N 3.11Å; E87-R90 WeakPolarHBondContact O-CB 3.44Å; E87-R90 PolarHBondContact O-N 3.43Å; K88-R90 VanDerWaalsContact C-N 3.34Å; K88-R90 PolarHBondContact O-N 3.02Å; R90-V92 VanDerWaalsContact C-N 3.33Å; R90-H93 PolarHBondContact O-N 2.93Å; R90-Y94 PolarHBondContact O-N 2.82Å; R90-Y94 VanDerWaalsContact O-N 3.1Å |
| 91 | V | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.7 | -34 | -180 | 71.9 | 0 | 0 | 0 | 0 | 111.6 | E87 K88 Y94 L95 I126 F181 W185 Y187 | E87-V91 PolarHBondContact O-N 2.83Å; K88-V91 WeakPolarHBondContact O-CG1 3.5Å; K88-V91 PolarHBondContact O-N 2.81Å; V91-Y94 WeakPolarHBondContact O-CB 3.34Å; V91-Y94 PolarHBondContact O-N 2.96Å; V91-L95 PolarHBondContact O-N 3.42Å; V91-I126 HydrophobicContact CG1-CD1 4.16Å; V91-F181 HydrophobicContact CB-CZ 4.46Å; V91-F181 HydrophobicContact CG1-CD2 3.97Å; V91-F181 HydrophobicContact CG1-CE2 3.78Å; V91-F181 HydrophobicContact CG1-CG 4.45Å; V91-F181 HydrophobicContact CG1-CZ 4.14Å; V91-F181 HydrophobicContact CG2-CB 4.21Å; V91-F181 HydrophobicContact CG2-CD1 3.34Å; V91-F181 HydrophobicContact CG2-CD2 3.91Å; V91-F181 HydrophobicContact CG2-CE1 3.52Å; V91-F181 HydrophobicContact CG2-CE2 4.04Å; V91-F181 HydrophobicContact CG2-CG 3.55Å; V91-F181 HydrophobicContact CG2-CZ 3.86Å; V91-W185 HydrophobicContact CB-CD2 4.05Å; V91-W185 HydrophobicContact CB-CG 4.03Å; V91-W185 HydrophobicContact CG2-CB 4.12Å; V91-W185 HydrophobicContact CG2-CD2 3.36Å; V91-W185 HydrophobicContact CG2-CE3 3.57Å; V91-W185 HydrophobicContact CG2-CG 3.63Å; V91-W185 HydrophobicContact CG2-CH2 4.47Å; V91-W185 HydrophobicContact CG2-CZ2 4.31Å; V91-W185 HydrophobicContact CG2-CZ3 4.13Å; V91-Y187 HydrophobicContact CG1-CD2 4.19Å |
| 92 | V | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.2 | -39.2 | 172.6 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | L43 K88 L89 R90 Y94 L95 E96 I109 V111 I126 L128 F181 | L43-V92 HydrophobicContact CD1-CB 4.48Å; L43-V92 HydrophobicContact CD1-CG1 3.96Å; L43-V92 HydrophobicContact CD2-CB 4.45Å; L43-V92 HydrophobicContact CD2-CG1 3.68Å; L43-V92 HydrophobicContact CG-CG1 4.46Å; K88-V92 WeakPolarHBondContact O-CB 3.49Å; K88-V92 WeakPolarHBondContact O-CG2 3.27Å; K88-V92 PolarHBondContact O-N 3.42Å; L89-V92 PolarHBondContact O-N 3.21Å; R90-V92 VanDerWaalsContact C-N 3.33Å; V92-Y94 VanDerWaalsContact C-N 3.29Å; V92-Y94 PolarHBondContact O-N 2.85Å; V92-L95 CarbonylContact O-C 3.56Å; V92-L95 WeakPolarHBondContact O-CB 3.38Å; V92-L95 PolarHBondContact O-N 3.3Å; V92-L95 VanDerWaalsContact O-N 3.13Å; V92-E96 PolarHBondContact O-N 3.04Å; V92-I109 HydrophobicContact CG1-CB 4.29Å; V92-I109 HydrophobicContact CG1-CG2 3.63Å; V92-V111 HydrophobicContact CB-CG2 4.46Å; V92-V111 HydrophobicContact CG1-CG2 4.04Å; V92-V111 HydrophobicContact CG2-CG2 4.27Å; V92-I126 HydrophobicContact CG2-CD1 4.43Å; V92-I126 HydrophobicContact CG2-CG2 3.8Å; V92-L128 HydrophobicContact CG1-CD1 4.39Å; V92-L128 HydrophobicContact CG1-CD2 3.83Å; V92-L128 HydrophobicContact CG2-CD1 4.37Å; V92-L128 HydrophobicContact CG2-CD2 3.81Å; V92-F181 HydrophobicContact CG2-CE2 4.44Å; V92-F181 HydrophobicContact CG2-CZ 4.46Å |
| 93 | H | 95.9 | Very high | 93.8 | Very high | 38 Ų | 38 | 48.4 Ų | 48.4 | 18% | 0.176 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.4 | -36.2 | 173.9 | 179.4 | 64.9 | 0 | 0 | 0 | 112.4 | W36 L43 L89 R90 E96 T97 | W36-H93 HydrophobicContact CE3-CB 4.24Å; W36-H93 HydrophobicContact CZ3-CB 4.26Å; W36-H93 PolarHBondContact O-CE1 3.32Å; W36-H93 PolarHBondContact O-NE2 3.22Å; L43-H93 HydrophobicContact CD1-CB 3.85Å; L89-H93 WeakPolarHBondContact O-CB 3.24Å; L89-H93 PolarHBondContact O-N 3.09Å; R90-H93 PolarHBondContact O-N 2.93Å; H93-E96 IonicContact ND1-OE2 3.64Å; H93-E96 PolarHBondContact O-N 3.29Å; H93-T97 PolarHBondContact O-N 3.32Å; H93-T97 PolarHBondContact O-OG1 3.15Å |
| 94 | Y | 95.4 | Very high | 93.8 | Very high | 109 Ų | 109 | 46.8 Ų | 46.8 | 43% | 0.427 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.3 | -40.2 | 172.6 | -170.3 | -116.6 | 0 | 0 | 0 | 112.1 | R90 V91 V92 Y98 P163 W185 | R90-Y94 PolarHBondContact O-N 2.82Å; R90-Y94 VanDerWaalsContact O-N 3.1Å; V91-Y94 WeakPolarHBondContact O-CB 3.34Å; V91-Y94 PolarHBondContact O-N 2.96Å; V92-Y94 VanDerWaalsContact C-N 3.29Å; V92-Y94 PolarHBondContact O-N 2.85Å; Y94-Y98 PolarHBondContact O-N 3.31Å; Y94-P163 HydrophobicContact CD1-CB 3.59Å; Y94-P163 HydrophobicContact CD1-CG 4.27Å; Y94-P163 HydrophobicContact CE1-CB 3.68Å; Y94-P163 HydrophobicContact CE1-CG 4.46Å; Y94-W185 HydrophobicContact CD1-CH2 4.08Å; Y94-W185 HydrophobicContact CD1-CZ3 4.3Å; Y94-W185 HydrophobicContact CE1-CH2 4.42Å |
| 95 | L | 96.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.1 | -44.9 | 171.9 | -179.2 | 60.7 | 0 | 0 | 0 | 112.1 | V91 V92 Y98 M99 I109 L128 L157 P163 V164 F181 I191 | V91-L95 PolarHBondContact O-N 3.42Å; V92-L95 CarbonylContact O-C 3.56Å; V92-L95 WeakPolarHBondContact O-CB 3.38Å; V92-L95 PolarHBondContact O-N 3.3Å; V92-L95 VanDerWaalsContact O-N 3.13Å; L95-Y98 WeakPolarHBondContact O-CB 3.21Å; L95-Y98 PolarHBondContact O-N 2.82Å; L95-M99 HydrophobicContact CD1-CG 4.18Å; L95-M99 HydrophobicContact CG-CG 4.3Å; L95-M99 WeakPolarHBondContact O-CB 3.45Å; L95-M99 WeakPolarHBondContact O-CG 3.39Å; L95-M99 PolarHBondContact O-N 3.45Å; L95-I109 HydrophobicContact CB-CD1 4.33Å; L95-I109 HydrophobicContact CD2-CD1 4.1Å; L95-I109 HydrophobicContact CG-CD1 3.88Å; L95-L128 HydrophobicContact CD2-CD1 3.57Å; L95-L157 HydrophobicContact CD1-CD2 3.83Å; L95-P163 HydrophobicContact CB-CG 4.45Å; L95-P163 HydrophobicContact CD1-CG 3.8Å; L95-V164 HydrophobicContact CD1-CG1 4.39Å; L95-F181 HydrophobicContact CB-CE1 3.84Å; L95-F181 HydrophobicContact CB-CZ 3.88Å; L95-F181 HydrophobicContact CD2-CE1 4.28Å; L95-F181 HydrophobicContact CD2-CZ 3.88Å; L95-F181 HydrophobicContact CG-CE1 4.49Å; L95-F181 HydrophobicContact CG-CZ 4.45Å; L95-I191 HydrophobicContact CD2-CD1 4.09Å |
| 96 | E | 95.1 | Very high | 93.6 | Very high | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.028 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.1 | -51 | 177.6 | -176.3 | 170.3 | -121.7 | 0 | 0 | 110.2 | S40 V92 H93 Y98 M99 W100 I109 | S40-E96 WeakPolarHBondContact CB-OE2 3.15Å; S40-E96 PolarHBondContact OG-OE1 3.09Å; S40-E96 PolarHBondContact OG-OE2 3.28Å; V92-E96 PolarHBondContact O-N 3.04Å; H93-E96 IonicContact ND1-OE2 3.64Å; H93-E96 PolarHBondContact O-N 3.29Å; E96-Y98 VanDerWaalsContact C-N 3.27Å; E96-Y98 PolarHBondContact O-N 3.37Å; E96-M99 WeakPolarHBondContact O-CB 3.31Å; E96-M99 PolarHBondContact O-N 3.3Å; E96-W100 VanDerWaalsContact O-CD1 3.24Å; E96-W100 PolarHBondContact O-N 2.7Å; E96-I109 HydrophobicContact CB-CB 4.37Å; E96-I109 HydrophobicContact CB-CD1 3.81Å; E96-I109 HydrophobicContact CB-CG1 3.9Å; E96-I109 HydrophobicContact CG-CB 4.48Å; E96-I109 HydrophobicContact CG-CD1 4.44Å; E96-I109 HydrophobicContact CG-CG1 4.02Å; E96-I109 PolarHBondContact OE1-N 3.36Å |
| 97 | T | 94.2 | Very high | 93.5 | Very high | 60 Ų | 60 | 49.3 Ų | 49.3 | 37% | 0.368 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.8 | -40 | 176.3 | -58.9 | 0 | 0 | 0 | 0 | 112.5 | H93 | H93-T97 PolarHBondContact O-N 3.32Å; H93-T97 PolarHBondContact O-OG1 3.15Å |
| 98 | Y | 95.6 | Very high | 93.3 | Very high | 11 Ų | 11 | 46.4 Ų | 46.4 | 4% | 0.043 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.8 | -46.2 | 174.3 | 177.6 | -95.2 | 0 | 0 | 0 | 111.9 | Y94 L95 E96 W100 R101 F156 L157 A161 P163 | Y94-Y98 PolarHBondContact O-N 3.31Å; L95-Y98 WeakPolarHBondContact O-CB 3.21Å; L95-Y98 PolarHBondContact O-N 2.82Å; E96-Y98 VanDerWaalsContact C-N 3.27Å; E96-Y98 PolarHBondContact O-N 3.37Å; Y98-W100 VanDerWaalsContact C-N 3.27Å; Y98-W100 PolarHBondContact O-N 2.99Å; Y98-R101 VanDerWaalsContact O-CB 3.28Å; Y98-R101 WeakPolarHBondContact O-CB 3.4Å; Y98-R101 PolarHBondContact O-N 3.03Å; Y98-R101 VanDerWaalsContact O-N 3.08Å; Y98-F156 HydrophobicContact CD1-CD1 4.18Å; Y98-F156 AromaticContact CD1-CE1 3.65Å; Y98-F156 HydrophobicContact CD1-CE1 3.65Å; Y98-F156 AromaticContact CE1-CD1 3.5Å; Y98-F156 HydrophobicContact CE1-CD1 3.5Å; Y98-F156 VanDerWaalsContact CE1-CD1 3.5Å; Y98-F156 AromaticContact CE1-CE1 3.21Å; Y98-F156 HydrophobicContact CE1-CE1 3.21Å; Y98-F156 HydrophobicContact CE1-CG 4.45Å; Y98-F156 AromaticContact CE1-CZ 3.99Å; Y98-F156 HydrophobicContact CE1-CZ 3.99Å; Y98-F156 HydrophobicContact CE2-CE1 4.49Å; Y98-F156 HydrophobicContact CG-CE1 4.44Å; Y98-F156 AromaticContact CZ-CE1 3.69Å; Y98-F156 AromaticContact CZ-CZ 3.99Å; Y98-F156 WeakPolarHBondContact O-CE1 3.18Å; Y98-F156 PolarHBondContact OH-O 3.01Å; Y98-L157 HydrophobicContact CD1-CD2 4.28Å; Y98-L157 HydrophobicContact CE1-CD2 4.12Å; Y98-A161 HydrophobicContact CE2-CB 4.31Å; Y98-A161 WeakPolarHBondContact CE2-O 3.13Å; Y98-P163 HydrophobicContact CD1-CG 4.43Å; Y98-P163 HydrophobicContact CG-CG 4.27Å |
| 99 | M | 94.3 | Very high | 93.3 | Very high | 7 Ų | 7 | 46.3 Ų | 46.3 | 3% | 0.034 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.1 | -35.7 | 179.7 | -78.9 | -57.2 | -52.6 | 0 | 0 | 112.5 | L95 E96 R101 H102 I105 I109 V153 F156 L157 | L95-M99 HydrophobicContact CD1-CG 4.18Å; L95-M99 HydrophobicContact CG-CG 4.3Å; L95-M99 WeakPolarHBondContact O-CB 3.45Å; L95-M99 WeakPolarHBondContact O-CG 3.39Å; L95-M99 PolarHBondContact O-N 3.45Å; E96-M99 WeakPolarHBondContact O-CB 3.31Å; E96-M99 PolarHBondContact O-N 3.3Å; M99-R101 PolarHBondContact O-N 3.45Å; M99-R101 VanDerWaalsContact O-N 3.15Å; M99-H102 WeakPolarHBondContact O-CB 3.37Å; M99-H102 PolarHBondContact O-N 3.45Å; M99-I105 HydrophobicContact CE-CG2 4.26Å; M99-I109 HydrophobicContact CG-CD1 4.37Å; M99-V153 HydrophobicContact CE-CG1 3.99Å; M99-V153 HydrophobicContact CE-CG2 4.14Å; M99-V153 HydrophobicContact SD-CG1 4.23Å; M99-F156 HydrophobicContact SD-CD1 4.07Å; M99-F156 HydrophobicContact SD-CE1 4.46Å; M99-L157 HydrophobicContact SD-CD2 3.65Å; M99-L157 HydrophobicContact SD-CG 4.27Å |
| 100 | W | 93 | Very high | 93.2 | Very high | 103 Ų | 103 | 46.2 Ų | 46.2 | 39% | 0.39 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -18.2 | 176.4 | -89.9 | 85.6 | 0 | 0 | 0 | 114.3 | E96 Y98 H102 K106 A107 | E96-W100 VanDerWaalsContact O-CD1 3.24Å; E96-W100 PolarHBondContact O-N 2.7Å; Y98-W100 VanDerWaalsContact C-N 3.27Å; Y98-W100 PolarHBondContact O-N 2.99Å; W100-H102 PolarHBondContact O-N 3.14Å; W100-K106 HydrophobicContact CE3-CD 3.98Å; W100-K106 HydrophobicContact CZ3-CD 4.01Å; W100-K106 PolarHBondContact O-NZ 3.08Å; W100-A107 PolarHBondContact NE1-O 3.08Å |
| 101 | R | 94.4 | Very high | 93.2 | Very high | 160 Ų | 160 | 39.9 Ų | 39.9 | 60% | 0.604 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -8.1 | 172 | -55.8 | 174.9 | -177.4 | 176.4 | -0.2 | 113 | Y98 M99 F156 | Y98-R101 VanDerWaalsContact O-CB 3.28Å; Y98-R101 WeakPolarHBondContact O-CB 3.4Å; Y98-R101 PolarHBondContact O-N 3.03Å; Y98-R101 VanDerWaalsContact O-N 3.08Å; M99-R101 PolarHBondContact O-N 3.45Å; M99-R101 VanDerWaalsContact O-N 3.15Å; R101-F156 HydrophobicContact CB-CZ 4.14Å |
| 102 | H | 93.3 | Very high | 93 | Very high | 18 Ų | 18 | 40.2 Ų | 40.2 | 8% | 0.083 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -65.9 | 132.1 | 174.5 | -166 | -74.4 | 0 | 0 | 0 | 110.2 | M99 W100 S104 I105 F156 | M99-H102 WeakPolarHBondContact O-CB 3.37Å; M99-H102 PolarHBondContact O-N 3.45Å; W100-H102 PolarHBondContact O-N 3.14Å; H102-S104 PolarHBondContact CE1-OG 3.46Å; H102-S104 PolarHBondContact ND1-N 3.48Å; H102-S104 VanDerWaalsContact ND1-N 3.12Å; H102-S104 PolarHBondContact ND1-OG 2.86Å; H102-S104 PolarHBondContact O-N 2.95Å; H102-I105 HydrophobicContact CB-CB 4.09Å; H102-I105 WeakPolarHBondContact ND1-CG1 3.11Å; H102-I105 PolarHBondContact ND1-N 3.25Å; H102-I105 VanDerWaalsContact ND1-N 3.16Å; H102-F156 HydrophobicContact CB-CD1 4.3Å; H102-F156 HydrophobicContact CB-CD2 4.5Å; H102-F156 HydrophobicContact CB-CE1 4.12Å; H102-F156 HydrophobicContact CB-CE2 4.34Å; H102-F156 HydrophobicContact CB-CG 4.49Å; H102-F156 HydrophobicContact CB-CZ 4.16Å; H102-F156 VanDerWaalsContact CD2-CB 3.5Å; H102-F156 WeakPolarHBondContact CD2-CB 3.34Å; H102-F156 AromaticContact CD2-CD1 3.88Å; H102-F156 AromaticContact CD2-CD2 3.56Å; H102-F156 AromaticContact CD2-CG 3.38Å; H102-F156 WeakPolarHBondContact CD2-CG 3.23Å |
| 103 | P | 89 | Confident | 92.7 | Very high | 113 Ų | 113 | 41 Ų | 41 | 73% | 0.734 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -60.7 | -40.1 | -176.9 | -26.1 | 34.3 | 0 | 0 | 0 | 114 | ||
| 104 | S | 87.8 | Confident | 92.4 | Very high | 88 Ų | 88 | 40.2 Ų | 40.2 | 62% | 0.615 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -119.1 | 5.3 | -170.9 | 56.6 | 0 | 0 | 0 | 0 | 116 | H102 | H102-S104 PolarHBondContact CE1-OG 3.46Å; H102-S104 PolarHBondContact ND1-N 3.48Å; H102-S104 VanDerWaalsContact ND1-N 3.12Å; H102-S104 PolarHBondContact ND1-OG 2.86Å; H102-S104 PolarHBondContact O-N 2.95Å |
| 105 | I | 88.3 | Confident | 92.2 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 4% | 0.041 | 18% | 0.184 | C | C | . | . | trans | -119.5 | 109.4 | 179.4 | -62.2 | 175.7 | 0 | 0 | 0 | 106.8 | M99 H102 A107 T149 K152 V153 W193 | M99-I105 HydrophobicContact CE-CG2 4.26Å; H102-I105 HydrophobicContact CB-CB 4.09Å; H102-I105 WeakPolarHBondContact ND1-CG1 3.11Å; H102-I105 PolarHBondContact ND1-N 3.25Å; H102-I105 VanDerWaalsContact ND1-N 3.16Å; I105-A107 HydrophobicContact CG2-CB 4.25Å; I105-T149 HydrophobicContact CD1-CG2 4.39Å; I105-K152 HydrophobicContact CD1-CB 3.85Å; I105-V153 HydrophobicContact CD1-CG2 3.53Å; I105-W193 HydrophobicContact CG2-CH2 4.25Å; I105-W193 HydrophobicContact CG2-CZ3 3.98Å | ||
| 106 | K | 87.5 | Confident | 91.8 | Very high | 92 Ų | 92 | 35.1 Ų | 35.1 | 40% | 0.4 | 18% | 0.184 | S | C | . | . | trans | -114.6 | 93 | 174.3 | -59.9 | -58.8 | 179.2 | -171.1 | 0 | 107.1 | W100 | W100-K106 HydrophobicContact CE3-CD 3.98Å; W100-K106 HydrophobicContact CZ3-CD 4.01Å; W100-K106 PolarHBondContact O-NZ 3.08Å | ||
| 107 | A | 90.3 | Very high | 91.5 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 3% | 0.033 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 141.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | W100 I105 L130 V131 W193 | W100-A107 PolarHBondContact NE1-O 3.08Å; I105-A107 HydrophobicContact CG2-CB 4.25Å; A107-L130 HydrophobicContact CB-CB 4.22Å; A107-V131 CarbonylContact C-O 3.49Å; A107-V131 WeakPolarHBondContact CA-O 3.45Å; A107-V131 WeakPolarHBondContact CB-O 3.35Å; A107-W193 HydrophobicContact CB-CH2 3.94Å; A107-W193 HydrophobicContact CB-CZ3 3.71Å |
| 108 | N | 90.6 | Very high | 91 | Very high | 16 Ų | 16 | 33.5 Ų | 33.5 | 9% | 0.086 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 160.4 | 166.9 | -52.2 | -64.4 | 0 | 0 | 0 | 109.1 | Y42 V131 N133 | Y42-N108 HydrophobicContact CD2-CB 3.49Å; Y42-N108 VanDerWaalsContact CD2-CB 3.49Å; Y42-N108 HydrophobicContact CE2-CB 3.59Å; N108-V131 PolarHBondContact N-O 2.9Å; N108-V131 PolarHBondContact O-N 3.27Å; N108-N133 PolarHBondContact ND2-OD1 3.33Å |
| 109 | I | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 121.6 | 179 | -53.8 | -164.5 | 0 | 0 | 0 | 109.7 | Y42 V92 L95 E96 M99 L128 L130 | Y42-I109 WeakPolarHBondContact CB-O 3.27Å; V92-I109 HydrophobicContact CG1-CB 4.29Å; V92-I109 HydrophobicContact CG1-CG2 3.63Å; L95-I109 HydrophobicContact CB-CD1 4.33Å; L95-I109 HydrophobicContact CD2-CD1 4.1Å; L95-I109 HydrophobicContact CG-CD1 3.88Å; E96-I109 HydrophobicContact CB-CB 4.37Å; E96-I109 HydrophobicContact CB-CD1 3.81Å; E96-I109 HydrophobicContact CB-CG1 3.9Å; E96-I109 HydrophobicContact CG-CB 4.48Å; E96-I109 HydrophobicContact CG-CD1 4.44Å; E96-I109 HydrophobicContact CG-CG1 4.02Å; E96-I109 PolarHBondContact OE1-N 3.36Å; M99-I109 HydrophobicContact CG-CD1 4.37Å; I109-L128 HydrophobicContact CG2-CB 4.11Å; I109-L128 HydrophobicContact CG2-CD1 4.01Å; I109-L128 HydrophobicContact CG2-CD2 3.8Å; I109-L128 HydrophobicContact CG2-CG 4.2Å; I109-L130 HydrophobicContact CD1-CD2 3.95Å; I109-L130 HydrophobicContact CG1-CD2 3.69Å |
| 110 | C | 93 | Very high | 90.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 127.4 | 168.6 | -173.8 | 0 | 0 | 0 | 0 | 109 | Y42 Q46 L128 C129 V131 I199 | Y42-C110 HydrophobicContact CD1-CB 4.19Å; Y42-C110 HydrophobicContact CG-CB 4.04Å; Q46-C110 PolarHBondContact NE2-SG 3.31Å; C110-L128 WeakPolarHBondContact O-CA 3.38Å; C110-C129 HydrophobicContact CB-CB 4.45Å; C110-C129 PolarHBondContact N-O 2.9Å; C110-C129 PolarHBondContact O-N 3.46Å; C110-V131 HydrophobicContact CB-CG2 4.19Å; C110-I199 HydrophobicContact CB-CD1 4.27Å |
| 111 | V | 94.8 | Very high | 89.7 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 133.6 | 169.9 | -174.9 | 0 | 0 | 0 | 0 | 108 | L43 Q46 L89 V92 V116 I126 L128 | L43-V111 HydrophobicContact CD2-CG2 3.6Å; Q46-V111 PolarHBondContact NE2-O 3.18Å; L89-V111 HydrophobicContact CD2-CG2 3.95Å; V92-V111 HydrophobicContact CB-CG2 4.46Å; V92-V111 HydrophobicContact CG1-CG2 4.04Å; V92-V111 HydrophobicContact CG2-CG2 4.27Å; V111-V116 HydrophobicContact CB-CG1 3.92Å; V111-V116 HydrophobicContact CB-CG2 4.42Å; V111-V116 HydrophobicContact CG1-CG1 3.67Å; V111-V116 HydrophobicContact CG1-CG2 4.16Å; V111-V116 WeakPolarHBondContact O-CG2 3.14Å; V111-I126 HydrophobicContact CG1-CG2 4.49Å; V111-L128 HydrophobicContact CB-CD2 4.32Å; V111-L128 HydrophobicContact CG1-CD2 4.45Å; V111-L128 HydrophobicContact CG2-CD2 3.83Å |
| 112 | V | 93.2 | Very high | 89.1 | Confident | 7 Ų | 7 | 27.4 Ų | 27.4 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 178.5 | 179.2 | -63.6 | 0 | 0 | 0 | 0 | 110.2 | D127 C129 I199 T202 | V112-D127 HydrophobicContact CG2-CB 3.63Å; V112-D127 PolarHBondContact N-O 3.44Å; V112-C129 HydrophobicContact CG1-CB 4.02Å; V112-C129 HydrophobicContact CG2-CB 4.48Å; V112-I199 HydrophobicContact CG1-CB 4.33Å; V112-I199 HydrophobicContact CG1-CG1 3.7Å; V112-T202 HydrophobicContact CB-CG2 4.48Å; V112-T202 WeakPolarHBondContact CB-OG1 3.37Å |
| 113 | G | 91.2 | Very high | 88.6 | Confident | 17 Ų | 17 | 31.9 Ų | 31.9 | 18% | 0.175 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | 68 | -152.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | S115 V116 N117 T202 | G113-S115 PolarHBondContact O-N 3.19Å; G113-V116 PolarHBondContact O-N 3.34Å; G113-N117 WeakPolarHBondContact O-CB 3.39Å; G113-N117 VanDerWaalsContact O-CG 3.27Å; G113-N117 PolarHBondContact O-N 2.94Å; G113-T202 PolarHBondContact N-OG1 3.15Å |
| 114 | S | 89.6 | Confident | 88.6 | Confident | 21 Ų | 21 | 27.2 Ų | 27.2 | 15% | 0.147 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -63 | -28.3 | -165.5 | 65.6 | 0 | 0 | 0 | 0 | 114.1 | V116 N117 G120 C124 | S114-V116 VanDerWaalsContact C-N 3.27Å; S114-V116 PolarHBondContact O-N 2.87Å; S114-N117 VanDerWaalsContact CA-OD1 3.29Å; S114-N117 WeakPolarHBondContact CA-OD1 3.3Å; S114-N117 PolarHBondContact O-OD1 3.04Å; S114-G120 WeakPolarHBondContact O-CA 3.27Å; S114-G120 PolarHBondContact O-N 2.88Å; S114-G120 VanDerWaalsContact O-N 3.08Å; S114-C124 WeakPolarHBondContact OG-CB 3.45Å; S114-C124 PolarHBondContact OG-SG 3.37Å |
| 115 | S | 90.3 | Very high | 88.8 | Confident | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -61.9 | -32.2 | -178.9 | -75 | 0 | 0 | 0 | 0 | 113.1 | Q80 L85 K88 G113 D125 | Q80-S115 PolarHBondContact NE2-O 3.46Å; L85-S115 WeakPolarHBondContact CD1-O 3.21Å; K88-S115 PolarHBondContact NZ-OG 3.19Å; G113-S115 PolarHBondContact O-N 3.19Å; S115-D125 PolarHBondContact OG-O 2.84Å |
| 116 | V | 89.2 | Confident | 89.2 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | -9 | -175.7 | -67 | 0 | 0 | 0 | 0 | 114.1 | Q46 L85 V111 G113 S114 G118 T202 | Q46-V116 HydrophobicContact CB-CG1 4.45Å; L85-V116 HydrophobicContact CD1-CG1 4.05Å; V111-V116 HydrophobicContact CB-CG1 3.92Å; V111-V116 HydrophobicContact CB-CG2 4.42Å; V111-V116 HydrophobicContact CG1-CG1 3.67Å; V111-V116 HydrophobicContact CG1-CG2 4.16Å; V111-V116 WeakPolarHBondContact O-CG2 3.14Å; G113-V116 PolarHBondContact O-N 3.34Å; S114-V116 VanDerWaalsContact C-N 3.27Å; S114-V116 PolarHBondContact O-N 2.87Å; V116-G118 PolarHBondContact O-N 3.09Å; V116-T202 HydrophobicContact CG2-CG2 3.54Å |
| 117 | N | 88 | Confident | 89.6 | Confident | 11 Ų | 11 | 23.6 Ų | 23.6 | 6% | 0.059 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -80.1 | 0.1 | 177.6 | 75.2 | 5.9 | 0 | 0 | 0 | 114.2 | G113 S114 L119 T202 L205 H206 S209 | G113-N117 WeakPolarHBondContact O-CB 3.39Å; G113-N117 VanDerWaalsContact O-CG 3.27Å; G113-N117 PolarHBondContact O-N 2.94Å; S114-N117 VanDerWaalsContact CA-OD1 3.29Å; S114-N117 WeakPolarHBondContact CA-OD1 3.3Å; S114-N117 PolarHBondContact O-OD1 3.04Å; N117-L119 PolarHBondContact O-N 2.58Å; N117-L119 WeakPolarHBondContact OD1-CA 3.43Å; N117-L119 WeakPolarHBondContact OD1-CB 3.2Å; N117-L119 PolarHBondContact OD1-N 2.92Å; N117-T202 HydrophobicContact CB-CG2 4.03Å; N117-L205 HydrophobicContact CB-CB 3.94Å; N117-H206 VanDerWaalsContact O-CA 3.28Å; N117-H206 WeakPolarHBondContact O-CA 3.24Å; N117-S209 VanDerWaalsContact O-CB 3.23Å; N117-S209 WeakPolarHBondContact O-CB 3.35Å; N117-S209 PolarHBondContact O-OG 2.93Å |
| 118 | G | 83.5 | Confident | 90 | Very high | 21 Ų | 21 | 23.4 Ų | 23.4 | 22% | 0.216 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 76.5 | 2.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | V116 | V116-G118 PolarHBondContact O-N 3.09Š|
| 119 | L | 86.1 | Confident | 90.2 | Very high | 28 Ų | 28 | 22.6 Ų | 22.6 | 15% | 0.147 | 13% | 0.134 | C | C | . | . | trans | -107.5 | 4.6 | 178.2 | -49.5 | 176 | 0 | 0 | 0 | 112.2 | N117 L205 L214 T217 A233 | N117-L119 PolarHBondContact O-N 2.58Å; N117-L119 WeakPolarHBondContact OD1-CA 3.43Å; N117-L119 WeakPolarHBondContact OD1-CB 3.2Å; N117-L119 PolarHBondContact OD1-N 2.92Å; L119-L205 HydrophobicContact CD1-CB 4.38Å; L119-L205 HydrophobicContact CD1-CD2 4.09Å; L119-L205 HydrophobicContact CD1-CG 4.36Å; L119-L214 HydrophobicContact CD2-CB 4.34Å; L119-T217 HydrophobicContact CD1-CG2 3.96Å; L119-T217 HydrophobicContact CD2-CG2 3.69Å; L119-T217 WeakPolarHBondContact CD2-OG1 3.11Å; L119-T217 HydrophobicContact CG-CG2 4.25Å; L119-A233 HydrophobicContact CD1-CB 3.79Å | ||
| 120 | G | 84.8 | Confident | 90.2 | Very high | 3 Ų | 3 | 22.7 Ų | 22.7 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | trans | -74.2 | 137.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q80 S114 | Q80-G120 WeakPolarHBondContact CB-O 3.47Å; Q80-G120 PolarHBondContact N-O 3.5Å; S114-G120 WeakPolarHBondContact O-CA 3.27Å; S114-G120 PolarHBondContact O-N 2.88Å; S114-G120 VanDerWaalsContact O-N 3.08Å | ||
| 121 | S | 84.4 | Confident | 90.1 | Very high | 38 Ų | 38 | 22.8 Ų | 22.8 | 27% | 0.266 | 14% | 0.135 | S | C | . | . | B | Isolated β-bridge | trans | -77.1 | 164.1 | 166.8 | 70.5 | 0 | 0 | 0 | 0 | 111.3 | S78 N123 C124 | S78-S121 CarbonylContact O-C 3.41Å; S78-S121 WeakPolarHBondContact O-CA 3.37Å; S78-S121 WeakPolarHBondContact O-CB 3.09Å; S121-N123 PolarHBondContact O-N 3.38Å; S121-C124 WeakPolarHBondContact O-CB 3.38Å; S121-C124 PolarHBondContact O-N 2.99Å; S121-C124 VanDerWaalsContact O-N 3.09Å; S121-C124 PolarHBondContact O-SG 3.25Å; S121-C124 PolarHBondContact OG-N 2.9Å |
| 122 | Q | 81.8 | Confident | 89.7 | Confident | 84 Ų | 84 | 24.4 Ų | 24.4 | 39% | 0.393 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -26.3 | 175.8 | 57.6 | 170.6 | -8 | 0 | 0 | 113.8 | S78 K84 | S78-Q122 PolarHBondContact O-N 2.97Å; K84-Q122 HydrophobicContact CD-CB 4.49Å; K84-Q122 WeakPolarHBondContact CD-O 3.44Å; K84-Q122 WeakPolarHBondContact CE-O 3.48Å; K84-Q122 PolarHBondContact NZ-O 3.15Å |
| 123 | N | 83.3 | Confident | 89 | Confident | 113 Ų | 113 | 28 Ų | 28 | 60% | 0.604 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 13.3 | -177.2 | -63.8 | -29.8 | 0 | 0 | 0 | 113.3 | K84 S121 | K84-N123 PolarHBondContact NZ-OD1 3.07Å; S121-N123 PolarHBondContact O-N 3.38Å |
| 124 | C | 87.9 | Confident | 87.9 | Confident | 15 Ų | 15 | 29.7 Ų | 29.7 | 10% | 0.101 | 17% | 0.172 | C | C | . | . | trans | -64.5 | 149.7 | -178.3 | 74.4 | 0 | 0 | 0 | 0 | 112.3 | K88 S114 S121 | K88-C124 PolarHBondContact NZ-O 3.49Å; K88-C124 PolarHBondContact NZ-SG 2.6Å; S114-C124 WeakPolarHBondContact OG-CB 3.45Å; S114-C124 PolarHBondContact OG-SG 3.37Å; S121-C124 WeakPolarHBondContact O-CB 3.38Å; S121-C124 PolarHBondContact O-N 2.99Å; S121-C124 VanDerWaalsContact O-N 3.09Å; S121-C124 PolarHBondContact O-SG 3.25Å; S121-C124 PolarHBondContact OG-N 2.9Å | ||
| 125 | D | 92.6 | Very high | 86.2 | Confident | 67 Ų | 67 | 36.7 Ų | 36.7 | 36% | 0.358 | 20% | 0.202 | S | C | . | . | trans | -66.3 | 161 | 177.6 | -69.1 | -14.6 | 0 | 0 | 0 | 111.2 | S115 S188 | S115-D125 PolarHBondContact OG-O 2.84Å; D125-S188 WeakPolarHBondContact OD1-CB 3.41Å | ||
| 126 | I | 96.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 107.1 | 171.8 | -55.2 | 176.3 | 0 | 0 | 0 | 107.9 | K88 V91 V92 V111 L128 F181 Y187 S188 V189 D190 | K88-I126 HydrophobicContact CB-CD1 4.05Å; K88-I126 HydrophobicContact CB-CG1 4.44Å; K88-I126 HydrophobicContact CD-CD1 4.34Å; K88-I126 HydrophobicContact CD-CG1 3.98Å; K88-I126 HydrophobicContact CG-CD1 3.81Å; K88-I126 HydrophobicContact CG-CG1 4.02Å; V91-I126 HydrophobicContact CG1-CD1 4.16Å; V92-I126 HydrophobicContact CG2-CD1 4.43Å; V92-I126 HydrophobicContact CG2-CG2 3.8Å; V111-I126 HydrophobicContact CG1-CG2 4.49Å; I126-L128 HydrophobicContact CG2-CD2 3.53Å; I126-L128 HydrophobicContact CG2-CG 3.92Å; I126-F181 HydrophobicContact CD1-CD2 4.15Å; I126-F181 HydrophobicContact CD1-CE2 3.92Å; I126-Y187 HydrophobicContact CD1-CD2 4.14Å; I126-Y187 HydrophobicContact CD1-CG 3.87Å; I126-S188 PolarHBondContact N-O 3.16Å; I126-V189 HydrophobicContact CB-CG1 4.42Å; I126-V189 HydrophobicContact CB-CG2 4.34Å; I126-V189 VanDerWaalsContact O-CA 3.24Å; I126-V189 WeakPolarHBondContact O-CA 3.5Å; I126-V189 WeakPolarHBondContact O-CG1 3.48Å; I126-D190 PolarHBondContact O-N 3.24Å |
| 127 | D | 97 | Very high | 82.7 | Confident | 44 Ų | 44 | 41.9 Ų | 41.9 | 24% | 0.235 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 131.3 | 170.6 | -54.6 | -79.2 | 0 | 0 | 0 | 109.6 | V112 D190 | V112-D127 HydrophobicContact CG2-CB 3.63Å; V112-D127 PolarHBondContact N-O 3.44Å; D127-D190 CarbonylContact C-O 3.53Å; D127-D190 WeakPolarHBondContact CA-O 3.32Å |
| 128 | L | 97.7 | Very high | 81 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 138.6 | -178.3 | -58.2 | -177.8 | 0 | 0 | 0 | 110.7 | V92 L95 I109 C110 V111 I126 V189 D190 I191 N192 | V92-L128 HydrophobicContact CG1-CD1 4.39Å; V92-L128 HydrophobicContact CG1-CD2 3.83Å; V92-L128 HydrophobicContact CG2-CD1 4.37Å; V92-L128 HydrophobicContact CG2-CD2 3.81Å; L95-L128 HydrophobicContact CD2-CD1 3.57Å; I109-L128 HydrophobicContact CG2-CB 4.11Å; I109-L128 HydrophobicContact CG2-CD1 4.01Å; I109-L128 HydrophobicContact CG2-CD2 3.8Å; I109-L128 HydrophobicContact CG2-CG 4.2Å; C110-L128 WeakPolarHBondContact O-CA 3.38Å; V111-L128 HydrophobicContact CB-CD2 4.32Å; V111-L128 HydrophobicContact CG1-CD2 4.45Å; V111-L128 HydrophobicContact CG2-CD2 3.83Å; I126-L128 HydrophobicContact CG2-CD2 3.53Å; I126-L128 HydrophobicContact CG2-CG 3.92Å; L128-V189 HydrophobicContact CD1-CG1 3.49Å; L128-V189 VanDerWaalsContact CD1-CG1 3.49Å; L128-V189 HydrophobicContact CG-CG1 3.81Å; L128-D190 PolarHBondContact N-O 3.36Å; L128-I191 HydrophobicContact CB-CG1 4.26Å; L128-I191 HydrophobicContact CB-CG2 4.4Å; L128-I191 HydrophobicContact CD1-CD1 4.47Å; L128-I191 HydrophobicContact CD1-CG1 4.19Å; L128-I191 WeakPolarHBondContact O-CA 3.44Å; L128-N192 PolarHBondContact O-N 2.86Å; L128-N192 PolarHBondContact O-ND2 2.92Å |
| 129 | C | 95 | Very high | 79.5 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 119 | 166.5 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | C110 V112 N192 N195 I199 | C110-C129 HydrophobicContact CB-CB 4.45Å; C110-C129 PolarHBondContact N-O 2.9Å; C110-C129 PolarHBondContact O-N 3.46Å; V112-C129 HydrophobicContact CG1-CB 4.02Å; V112-C129 HydrophobicContact CG2-CB 4.48Å; C129-N192 WeakPolarHBondContact CA-OD1 3.44Å; C129-N192 VanDerWaalsContact CB-OD1 3.31Å; C129-N192 WeakPolarHBondContact CB-OD1 3.34Å; C129-N192 PolarHBondContact SG-OD1 3.03Å; C129-N195 PolarHBondContact SG-N 2.89Å; C129-I199 HydrophobicContact CB-CD1 4.12Å; C129-I199 HydrophobicContact CB-CG1 4.02Å |
| 130 | L | 94.6 | Very high | 78.1 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 120 | 167.3 | -61.7 | -178.7 | 0 | 0 | 0 | 108 | A107 I109 V153 I191 N192 W193 N194 | A107-L130 HydrophobicContact CB-CB 4.22Å; I109-L130 HydrophobicContact CD1-CD2 3.95Å; I109-L130 HydrophobicContact CG1-CD2 3.69Å; L130-V153 HydrophobicContact CD1-CG1 4.14Å; L130-V153 HydrophobicContact CD1-CG2 3.91Å; L130-I191 HydrophobicContact CD1-CG2 3.8Å; L130-I191 HydrophobicContact CD2-CG2 4.15Å; L130-I191 HydrophobicContact CG-CG2 3.6Å; L130-N192 PolarHBondContact N-O 2.96Å; L130-W193 HydrophobicContact CB-CD2 4.5Å; L130-W193 HydrophobicContact CB-CE3 3.52Å; L130-W193 HydrophobicContact CB-CZ3 3.82Å; L130-W193 HydrophobicContact CD1-CE3 3.96Å; L130-W193 HydrophobicContact CD1-CZ3 4.24Å; L130-W193 HydrophobicContact CG-CE3 4.39Å; L130-N194 PolarHBondContact O-N 3.4Å; L130-N194 PolarHBondContact O-OD1 3.13Å |
| 131 | V | 90.5 | Very high | 77 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 119 | 179.1 | -170.3 | 0 | 0 | 0 | 0 | 108.1 | Y42 A107 N108 C110 P137 N194 I199 L266 | Y42-V131 HydrophobicContact CE2-CB 4.07Å; Y42-V131 HydrophobicContact CE2-CG1 4.42Å; Y42-V131 HydrophobicContact CE2-CG2 4.37Å; Y42-V131 WeakPolarHBondContact OH-CG1 3.12Å; A107-V131 CarbonylContact C-O 3.49Å; A107-V131 WeakPolarHBondContact CA-O 3.45Å; A107-V131 WeakPolarHBondContact CB-O 3.35Å; N108-V131 PolarHBondContact N-O 2.9Å; N108-V131 PolarHBondContact O-N 3.27Å; C110-V131 HydrophobicContact CB-CG2 4.19Å; V131-P137 HydrophobicContact CG1-CB 4.25Å; V131-P137 HydrophobicContact CG1-CG 3.94Å; V131-N194 WeakPolarHBondContact CA-OD1 3.4Å; V131-I199 HydrophobicContact CG2-CD1 3.68Å; V131-L266 HydrophobicContact CG1-CD1 3.97Å |
| 132 | D | 86.4 | Confident | 76.9 | Confident | 37 Ų | 37 | 59 Ų | 59 | 20% | 0.198 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 162.2 | 174.2 | 66.6 | 26.2 | 0 | 0 | 0 | 112.3 | S134 W193 N194 | D132-S134 PolarHBondContact O-N 3.36Å; D132-S134 WeakPolarHBondContact OD1-CB 3.22Å; D132-S134 PolarHBondContact OD1-N 3.31Å; D132-S134 PolarHBondContact OD1-OG 3.2Å; D132-W193 HydrophobicContact CB-CH2 3.97Å; D132-W193 HydrophobicContact CB-CZ2 3.77Å; D132-N194 VanDerWaalsContact CG-ND2 3.34Å; D132-N194 PolarHBondContact N-OD1 3.03Å; D132-N194 PolarHBondContact OD2-ND2 3.23Å |
| 133 | N | 78.1 | Confident | 77.3 | Confident | 83 Ų | 83 | 59.5 Ų | 59.5 | 44% | 0.444 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -79.7 | 13.6 | 175.4 | -68.8 | -22 | 0 | 0 | 0 | 112.8 | N108 | N108-N133 PolarHBondContact ND2-OD1 3.33Š|
| 134 | S | 69.5 | Low | 77.7 | Confident | 53 Ų | 53 | 58.6 Ų | 58.6 | 37% | 0.371 | 31% | 0.31 | S | S | . | . | trans | -65.6 | 143 | 177.3 | 76.3 | 0 | 0 | 0 | 0 | 109.1 | D132 M136 P137 | D132-S134 PolarHBondContact O-N 3.36Å; D132-S134 WeakPolarHBondContact OD1-CB 3.22Å; D132-S134 PolarHBondContact OD1-N 3.31Å; D132-S134 PolarHBondContact OD1-OG 3.2Å; S134-M136 PolarHBondContact O-N 2.98Å; S134-M136 VanDerWaalsContact O-N 3.12Å; S134-M136 PolarHBondContact OG-O 3.41Å; S134-P137 WeakPolarHBondContact O-CD 3.3Å | ||
| 135 | E | 52.2 | Low | 77.8 | Confident | 168 Ų | 168 | 61.4 Ų | 61.4 | 79% | 0.785 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -64.7 | -17.1 | -177.7 | -67.7 | -169.1 | 162.5 | 0 | 0 | 113 | ||
| 136 | M | 54.3 | Low | 77.9 | Confident | 97 Ų | 97 | 58.5 Ų | 58.5 | 48% | 0.478 | 31% | 0.312 | S | S | . | . | trans | -136.4 | 82.2 | -179.3 | -57.8 | -63.5 | 171.8 | 0 | 0 | 110 | S134 D138 | S134-M136 PolarHBondContact O-N 2.98Å; S134-M136 VanDerWaalsContact O-N 3.12Å; S134-M136 PolarHBondContact OG-O 3.41Å; M136-D138 PolarHBondContact O-N 2.81Å; M136-D138 VanDerWaalsContact O-N 3.11Å | ||
| 137 | P | 53.1 | Low | 77.8 | Confident | 14 Ų | 14 | 58.9 Ų | 58.9 | 9% | 0.091 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -3.3 | 163.4 | -14.3 | 30.3 | 0 | 0 | 0 | 112.2 | V131 S134 E139 V196 L266 | V131-P137 HydrophobicContact CG1-CB 4.25Å; V131-P137 HydrophobicContact CG1-CG 3.94Å; S134-P137 WeakPolarHBondContact O-CD 3.3Å; P137-E139 VanDerWaalsContact C-N 3.29Å; P137-E139 PolarHBondContact O-N 3.2Å; P137-V196 HydrophobicContact CB-CG2 4.06Å; P137-V196 WeakPolarHBondContact O-CG2 3.36Å; P137-L266 HydrophobicContact CB-CD1 4.16Å; P137-L266 HydrophobicContact CG-CD1 4.22Å |
| 138 | D | 52.9 | Low | 77.7 | Confident | 67 Ų | 67 | 60.6 Ų | 60.6 | 36% | 0.358 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -19 | -163.6 | -62 | -19.1 | 0 | 0 | 0 | 114 | M136 V140 | M136-D138 PolarHBondContact O-N 2.81Å; M136-D138 VanDerWaalsContact O-N 3.11Å; D138-V140 PolarHBondContact O-N 3.16Å |
| 139 | E | 51.8 | Low | 77.6 | Confident | 169 Ų | 169 | 61.6 Ų | 61.6 | 79% | 0.79 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -78 | 123.6 | 169.9 | -71.8 | -173.6 | -179.8 | 0 | 0 | 109.1 | P137 G141 | P137-E139 VanDerWaalsContact C-N 3.29Å; P137-E139 PolarHBondContact O-N 3.2Å; E139-G141 PolarHBondContact O-N 3.42Å |
| 140 | V | 55.1 | Low | 77.7 | Confident | 110 Ų | 110 | 61.6 Ų | 61.6 | 67% | 0.667 | 33% | 0.33 | S | S | * | . | trans | -40.7 | 106.4 | 172.5 | 178.9 | 0 | 0 | 0 | 0 | 108.2 | D138 D142 | D138-V140 PolarHBondContact O-N 3.16Å; V140-D142 PolarHBondContact O-N 3.45Å | ||
| 141 | G | 62.1 | Low | 77.8 | Confident | 30 Ų | 30 | 66.3 Ų | 66.3 | 31% | 0.309 | 35% | 0.347 | S | S | . | . | trans | -54.7 | 121.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | E139 R143 | E139-G141 PolarHBondContact O-N 3.42Å; G141-R143 PolarHBondContact O-N 3.3Å | ||
| 142 | D | 82.4 | Confident | 78.1 | Confident | 85 Ų | 85 | 70.7 Ų | 70.7 | 46% | 0.455 | 37% | 0.366 | S | S | . | . | trans | -48.8 | 123.2 | 175.3 | 160.6 | 41.2 | 0 | 0 | 0 | 108.2 | V140 D144 T145 A146 | V140-D142 PolarHBondContact O-N 3.45Å; D142-D144 PolarHBondContact O-N 3.15Å; D142-D144 VanDerWaalsContact O-N 3.16Å; D142-D144 PolarHBondContact OD1-N 2.99Å; D142-D144 VanDerWaalsContact OD1-N 3.15Å; D142-T145 CarbonylContact O-C 3.56Å; D142-T145 WeakPolarHBondContact O-CA 3.46Å; D142-T145 WeakPolarHBondContact O-CB 3.44Å; D142-T145 PolarHBondContact O-N 3.44Å; D142-T145 VanDerWaalsContact O-N 3.09Å; D142-T145 WeakPolarHBondContact OD2-CB 3.04Å; D142-T145 PolarHBondContact OD2-N 3.42Å; D142-T145 PolarHBondContact OD2-OG1 3.29Å; D142-A146 PolarHBondContact O-N 3.47Å | ||
| 143 | R | 89.5 | Confident | 78.6 | Confident | 95 Ų | 95 | 69 Ų | 69 | 36% | 0.358 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -52.3 | -40.6 | -176.9 | 171.9 | -166.9 | 154.3 | 70.1 | 1.5 | 110.8 | G141 A146 L147 P171 A172 R173 P175 | G141-R143 PolarHBondContact O-N 3.3Å; R143-A146 PolarHBondContact O-N 3.35Å; R143-L147 VanDerWaalsContact O-CB 3.28Å; R143-L147 WeakPolarHBondContact O-CB 3.36Å; R143-L147 PolarHBondContact O-N 2.91Å; R143-P171 PolarHBondContact NH1-O 3.29Å; R143-P171 PolarHBondContact NH2-O 3.47Å; R143-A172 PolarHBondContact NH1-O 3.19Å; R143-R173 VanDerWaalsContact NH1-CA 3.29Å; R143-R173 PolarHBondContact NH1-O 3.39Å; R143-P175 HydrophobicContact CG-CG 4.27Å |
| 144 | D | 92 | Very high | 79.6 | Confident | 93 Ų | 93 | 66.9 Ų | 66.9 | 50% | 0.497 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -72 | -40.2 | -177.2 | -72.8 | -28.8 | 0 | 0 | 0 | 111.3 | D142 L147 N148 | D142-D144 PolarHBondContact O-N 3.15Å; D142-D144 VanDerWaalsContact O-N 3.16Å; D142-D144 PolarHBondContact OD1-N 2.99Å; D142-D144 VanDerWaalsContact OD1-N 3.15Å; D144-L147 PolarHBondContact O-N 2.95Å; D144-N148 VanDerWaalsContact O-CB 3.28Å; D144-N148 WeakPolarHBondContact O-CB 3.43Å; D144-N148 PolarHBondContact O-N 3.41Å; D144-N148 PolarHBondContact O-ND2 3.18Å; D144-N148 VanDerWaalsContact O-ND2 3.1Å |
| 145 | T | 91.5 | Very high | 80.9 | Confident | 75 Ų | 75 | 71.7 Ų | 71.7 | 46% | 0.46 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.9 | -48.1 | 169.6 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | D142 L147 N148 T149 | D142-T145 CarbonylContact O-C 3.56Å; D142-T145 WeakPolarHBondContact O-CA 3.46Å; D142-T145 WeakPolarHBondContact O-CB 3.44Å; D142-T145 PolarHBondContact O-N 3.44Å; D142-T145 VanDerWaalsContact O-N 3.09Å; D142-T145 WeakPolarHBondContact OD2-CB 3.04Å; D142-T145 PolarHBondContact OD2-N 3.42Å; D142-T145 PolarHBondContact OD2-OG1 3.29Å; T145-L147 PolarHBondContact O-N 3.22Å; T145-N148 PolarHBondContact O-N 2.92Å; T145-T149 PolarHBondContact O-N 3.17Å; T145-T149 PolarHBondContact O-OG1 2.64Å; T145-T149 VanDerWaalsContact O-OG1 3.13Å |
| 146 | A | 93.2 | Very high | 83.1 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 5% | 0.05 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D142 R143 N148 T149 L150 W193 | D142-A146 PolarHBondContact O-N 3.47Å; R143-A146 PolarHBondContact O-N 3.35Å; A146-N148 PolarHBondContact O-N 3.21Å; A146-T149 PolarHBondContact O-N 3.49Å; A146-L150 WeakPolarHBondContact O-CB 2.91Å; A146-L150 WeakPolarHBondContact O-CG 3.17Å; A146-L150 PolarHBondContact O-N 3.14Å; A146-W193 HydrophobicContact CB-CB 4.25Å; A146-W193 HydrophobicContact CB-CG 4.4Å |
| 147 | L | 95.5 | Very high | 85.1 | Confident | 8 Ų | 8 | 59.7 Ų | 59.7 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 178.2 | -174.7 | 63 | 0 | 0 | 0 | 111.8 | R143 D144 T145 L150 R151 L169 P171 P175 | R143-L147 VanDerWaalsContact O-CB 3.28Å; R143-L147 WeakPolarHBondContact O-CB 3.36Å; R143-L147 PolarHBondContact O-N 2.91Å; D144-L147 PolarHBondContact O-N 2.95Å; T145-L147 PolarHBondContact O-N 3.22Å; L147-L150 PolarHBondContact O-N 3.06Å; L147-R151 WeakPolarHBondContact O-CG 3.4Å; L147-R151 PolarHBondContact O-N 3.14Å; L147-L169 HydrophobicContact CD1-CD1 4.19Å; L147-L169 HydrophobicContact CD1-CD2 3.88Å; L147-L169 HydrophobicContact CD1-CG 4.19Å; L147-P171 HydrophobicContact CD1-CB 3.96Å; L147-P171 HydrophobicContact CD2-CB 4.29Å; L147-P175 HydrophobicContact CB-CB 4.37Å; L147-P175 HydrophobicContact CB-CG 3.96Å; L147-P175 HydrophobicContact CD1-CB 3.86Å; L147-P175 HydrophobicContact CD1-CG 4.13Å |
| 148 | N | 94.6 | Very high | 87.3 | Confident | 79 Ų | 79 | 64.3 Ų | 64.3 | 42% | 0.422 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 176.6 | -77.3 | -31.9 | 0 | 0 | 0 | 112.3 | D144 T145 A146 R151 K152 | D144-N148 VanDerWaalsContact O-CB 3.28Å; D144-N148 WeakPolarHBondContact O-CB 3.43Å; D144-N148 PolarHBondContact O-N 3.41Å; D144-N148 PolarHBondContact O-ND2 3.18Å; D144-N148 VanDerWaalsContact O-ND2 3.1Å; T145-N148 PolarHBondContact O-N 2.92Å; A146-N148 PolarHBondContact O-N 3.21Å; N148-R151 PolarHBondContact O-N 3.22Å; N148-R151 PolarHBondContact OD1-NH1 3.04Å; N148-K152 PolarHBondContact O-N 3.24Å |
| 149 | T | 94.8 | Very high | 89.4 | Confident | 21 Ų | 21 | 66 Ų | 66 | 13% | 0.129 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.6 | -45.8 | 175.2 | -62.2 | 0 | 0 | 0 | 0 | 111 | I105 T145 A146 R151 K152 V153 W193 | I105-T149 HydrophobicContact CD1-CG2 4.39Å; T145-T149 PolarHBondContact O-N 3.17Å; T145-T149 PolarHBondContact O-OG1 2.64Å; T145-T149 VanDerWaalsContact O-OG1 3.13Å; A146-T149 PolarHBondContact O-N 3.49Å; T149-R151 VanDerWaalsContact C-N 3.28Å; T149-R151 PolarHBondContact O-N 3.17Å; T149-K152 WeakPolarHBondContact O-CA 3.31Å; T149-K152 WeakPolarHBondContact O-CB 3.34Å; T149-K152 PolarHBondContact O-N 3.32Å; T149-V153 WeakPolarHBondContact O-CG2 3.49Å; T149-V153 PolarHBondContact O-N 3.27Å; T149-W193 HydrophobicContact CG2-CD2 3.58Å; T149-W193 HydrophobicContact CG2-CE3 3.52Å; T149-W193 HydrophobicContact CG2-CG 4.33Å; T149-W193 HydrophobicContact CG2-CH2 3.77Å; T149-W193 HydrophobicContact CG2-CZ2 3.79Å; T149-W193 HydrophobicContact CG2-CZ3 3.63Å |
| 150 | L | 96.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.1 | -30.9 | 176.4 | -70.7 | -177.1 | 0 | 0 | 0 | 113.1 | A146 L147 K152 V153 Q154 L169 P175 I177 W193 | A146-L150 WeakPolarHBondContact O-CB 2.91Å; A146-L150 WeakPolarHBondContact O-CG 3.17Å; A146-L150 PolarHBondContact O-N 3.14Å; L147-L150 PolarHBondContact O-N 3.06Å; L150-K152 VanDerWaalsContact C-N 3.28Å; L150-K152 PolarHBondContact O-N 3.07Å; L150-V153 PolarHBondContact O-N 3.39Å; L150-Q154 VanDerWaalsContact O-CB 3.32Å; L150-Q154 WeakPolarHBondContact O-CB 3.36Å; L150-Q154 PolarHBondContact O-N 2.91Å; L150-L169 HydrophobicContact CB-CD1 3.77Å; L150-L169 HydrophobicContact CD1-CD1 4.11Å; L150-P175 HydrophobicContact CD1-CB 3.73Å; L150-P175 VanDerWaalsContact CD1-O 3.25Å; L150-P175 WeakPolarHBondContact CD1-O 3.37Å; L150-I177 HydrophobicContact CB-CD1 4.08Å; L150-I177 HydrophobicContact CB-CG1 4.21Å; L150-I177 HydrophobicContact CD2-CD1 3.84Å; L150-I177 HydrophobicContact CD2-CG1 4.19Å; L150-I177 HydrophobicContact CG-CD1 4.48Å; L150-I177 WeakPolarHBondContact O-CD1 3.31Å; L150-W193 HydrophobicContact CD1-CB 4.45Å; L150-W193 HydrophobicContact CD2-CB 3.96Å; L150-W193 HydrophobicContact CG-CB 3.98Å |
| 151 | R | 97.6 | Very high | 93.4 | Very high | 102 Ų | 102 | 62 Ų | 62 | 39% | 0.385 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62 | -34.3 | 170.4 | -74.2 | 176.1 | -174.5 | 120.5 | -1.6 | 112.7 | L147 N148 T149 R155 L169 | L147-R151 WeakPolarHBondContact O-CG 3.4Å; L147-R151 PolarHBondContact O-N 3.14Å; N148-R151 PolarHBondContact O-N 3.22Å; N148-R151 PolarHBondContact OD1-NH1 3.04Å; T149-R151 VanDerWaalsContact C-N 3.28Å; T149-R151 PolarHBondContact O-N 3.17Å; R151-R155 PolarHBondContact O-N 3.08Å; R151-R155 PolarHBondContact O-NE 3.11Å; R151-L169 HydrophobicContact CB-CD2 4.38Å; R151-L169 HydrophobicContact CG-CD2 3.45Å; R151-L169 VanDerWaalsContact CG-CD2 3.45Å |
| 152 | K | 97 | Very high | 95.1 | Very high | 93 Ų | 93 | 60.6 Ų | 60.6 | 40% | 0.404 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -72 | -45.5 | 174.8 | -63.1 | 170.7 | -175.5 | 171.1 | 0 | 110.2 | I105 N148 T149 L150 Q154 R155 F156 | I105-K152 HydrophobicContact CD1-CB 3.85Å; N148-K152 PolarHBondContact O-N 3.24Å; T149-K152 WeakPolarHBondContact O-CA 3.31Å; T149-K152 WeakPolarHBondContact O-CB 3.34Å; T149-K152 PolarHBondContact O-N 3.32Å; L150-K152 VanDerWaalsContact C-N 3.28Å; L150-K152 PolarHBondContact O-N 3.07Å; K152-Q154 PolarHBondContact O-N 2.85Å; K152-R155 PolarHBondContact O-N 3.33Å; K152-F156 PolarHBondContact O-N 2.87Å; K152-F156 VanDerWaalsContact O-N 3.17Å |
| 153 | V | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.6 | -48.6 | 174.4 | 177 | 0 | 0 | 0 | 0 | 111 | M99 I105 L130 T149 L150 R155 F156 L157 I177 | M99-V153 HydrophobicContact CE-CG1 3.99Å; M99-V153 HydrophobicContact CE-CG2 4.14Å; M99-V153 HydrophobicContact SD-CG1 4.23Å; I105-V153 HydrophobicContact CD1-CG2 3.53Å; L130-V153 HydrophobicContact CD1-CG1 4.14Å; L130-V153 HydrophobicContact CD1-CG2 3.91Å; T149-V153 WeakPolarHBondContact O-CG2 3.49Å; T149-V153 PolarHBondContact O-N 3.27Å; L150-V153 PolarHBondContact O-N 3.39Å; V153-R155 PolarHBondContact O-N 3.03Å; V153-F156 WeakPolarHBondContact O-CB 3.48Å; V153-F156 PolarHBondContact O-N 3.13Å; V153-L157 HydrophobicContact CG1-CD1 3.65Å; V153-L157 HydrophobicContact CG1-CG 3.97Å; V153-L157 WeakPolarHBondContact O-CG 3.28Å; V153-L157 PolarHBondContact O-N 2.7Å; V153-I177 HydrophobicContact CB-CD1 3.84Å; V153-I177 HydrophobicContact CG1-CD1 3.64Å |
| 154 | Q | 98 | Very high | 96.2 | Very high | 40 Ų | 40 | 52.3 Ų | 52.3 | 19% | 0.187 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -54.3 | -50.7 | 179.3 | -179.8 | -175.4 | 15.2 | 0 | 0 | 111.6 | L150 K152 F156 L157 Q158 V167 L169 I177 | L150-Q154 VanDerWaalsContact O-CB 3.32Å; L150-Q154 WeakPolarHBondContact O-CB 3.36Å; L150-Q154 PolarHBondContact O-N 2.91Å; K152-Q154 PolarHBondContact O-N 2.85Å; Q154-F156 PolarHBondContact O-N 2.94Å; Q154-L157 PolarHBondContact O-N 2.77Å; Q154-Q158 VanDerWaalsContact O-CG 3.29Å; Q154-Q158 WeakPolarHBondContact O-CG 3.46Å; Q154-Q158 PolarHBondContact O-N 3.02Å; Q154-V167 HydrophobicContact CB-CG1 4.4Å; Q154-V167 HydrophobicContact CG-CG1 3.86Å; Q154-L169 VanDerWaalsContact OE1-CB 3.24Å; Q154-I177 HydrophobicContact CB-CD1 4.11Å |
| 155 | R | 97.8 | Very high | 96.5 | Very high | 154 Ų | 154 | 50.5 Ų | 50.5 | 58% | 0.581 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -58.9 | -36.1 | 178.2 | -78.2 | 177.7 | -85.9 | 150.1 | -15 | 112.3 | R151 K152 V153 | R151-R155 PolarHBondContact O-N 3.08Å; R151-R155 PolarHBondContact O-NE 3.11Å; K152-R155 PolarHBondContact O-N 3.33Å; V153-R155 PolarHBondContact O-N 3.03Å |
| 156 | F | 97.6 | Very high | 96.8 | Very high | 12 Ų | 12 | 54.4 Ų | 54.4 | 5% | 0.053 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -74.8 | -37.7 | 178.1 | -171.8 | -108.4 | 0 | 0 | 0 | 113.4 | Y98 M99 R101 H102 K152 V153 Q154 Q158 K159 | Y98-F156 HydrophobicContact CD1-CD1 4.18Å; Y98-F156 AromaticContact CD1-CE1 3.65Å; Y98-F156 HydrophobicContact CD1-CE1 3.65Å; Y98-F156 AromaticContact CE1-CD1 3.5Å; Y98-F156 HydrophobicContact CE1-CD1 3.5Å; Y98-F156 VanDerWaalsContact CE1-CD1 3.5Å; Y98-F156 AromaticContact CE1-CE1 3.21Å; Y98-F156 HydrophobicContact CE1-CE1 3.21Å; Y98-F156 HydrophobicContact CE1-CG 4.45Å; Y98-F156 AromaticContact CE1-CZ 3.99Å; Y98-F156 HydrophobicContact CE1-CZ 3.99Å; Y98-F156 HydrophobicContact CE2-CE1 4.49Å; Y98-F156 HydrophobicContact CG-CE1 4.44Å; Y98-F156 AromaticContact CZ-CE1 3.69Å; Y98-F156 AromaticContact CZ-CZ 3.99Å; Y98-F156 WeakPolarHBondContact O-CE1 3.18Å; Y98-F156 PolarHBondContact OH-O 3.01Å; M99-F156 HydrophobicContact SD-CD1 4.07Å; M99-F156 HydrophobicContact SD-CE1 4.46Å; R101-F156 HydrophobicContact CB-CZ 4.14Å; H102-F156 HydrophobicContact CB-CD1 4.3Å; H102-F156 HydrophobicContact CB-CD2 4.5Å; H102-F156 HydrophobicContact CB-CE1 4.12Å; H102-F156 HydrophobicContact CB-CE2 4.34Å; H102-F156 HydrophobicContact CB-CG 4.49Å; H102-F156 HydrophobicContact CB-CZ 4.16Å; H102-F156 VanDerWaalsContact CD2-CB 3.5Å; H102-F156 WeakPolarHBondContact CD2-CB 3.34Å; H102-F156 AromaticContact CD2-CD1 3.88Å; H102-F156 AromaticContact CD2-CD2 3.56Å; H102-F156 AromaticContact CD2-CG 3.38Å; H102-F156 WeakPolarHBondContact CD2-CG 3.23Å; K152-F156 PolarHBondContact O-N 2.87Å; K152-F156 VanDerWaalsContact O-N 3.17Å; V153-F156 WeakPolarHBondContact O-CB 3.48Å; V153-F156 PolarHBondContact O-N 3.13Å; Q154-F156 PolarHBondContact O-N 2.94Å; F156-Q158 VanDerWaalsContact C-N 3.27Å; F156-Q158 PolarHBondContact O-N 3.48Å; F156-K159 HydrophobicContact CD2-CD 3.94Å; F156-K159 HydrophobicContact CE2-CD 4.21Å; F156-K159 WeakPolarHBondContact O-CB 3.49Å; F156-K159 WeakPolarHBondContact O-CG 3.43Å; F156-K159 PolarHBondContact O-N 3Å |
| 157 | L | 97.8 | Very high | 97 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.4 | -19 | 175.1 | -65.8 | -179 | 0 | 0 | 0 | 112.8 | L95 Y98 M99 V153 Q154 K159 S162 V164 V167 I177 I191 | L95-L157 HydrophobicContact CD1-CD2 3.83Å; Y98-L157 HydrophobicContact CD1-CD2 4.28Å; Y98-L157 HydrophobicContact CE1-CD2 4.12Å; M99-L157 HydrophobicContact SD-CD2 3.65Å; M99-L157 HydrophobicContact SD-CG 4.27Å; V153-L157 HydrophobicContact CG1-CD1 3.65Å; V153-L157 HydrophobicContact CG1-CG 3.97Å; V153-L157 WeakPolarHBondContact O-CG 3.28Å; V153-L157 PolarHBondContact O-N 2.7Å; Q154-L157 PolarHBondContact O-N 2.77Å; L157-K159 VanDerWaalsContact C-N 3.27Å; L157-K159 PolarHBondContact O-N 3.09Å; L157-S162 WeakPolarHBondContact O-CB 3.41Å; L157-S162 PolarHBondContact O-OG 3.45Å; L157-S162 VanDerWaalsContact O-OG 3.08Å; L157-V164 HydrophobicContact CB-CG2 3.93Å; L157-V164 HydrophobicContact CD1-CG2 4.27Å; L157-V164 HydrophobicContact CD2-CG2 3.91Å; L157-V164 HydrophobicContact CG-CG2 4.26Å; L157-V167 HydrophobicContact CB-CG1 3.99Å; L157-V167 HydrophobicContact CB-CG2 3.87Å; L157-V167 HydrophobicContact CD1-CG1 4.36Å; L157-I177 HydrophobicContact CD1-CG2 4.44Å; L157-I191 HydrophobicContact CD1-CD1 3.94Å |
| 158 | Q | 97.8 | Very high | 97.2 | Very high | 111 Ų | 111 | 61 Ų | 61 | 52% | 0.519 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -7.4 | 174 | -76.1 | 172.6 | -31.5 | 0 | 0 | 113.7 | Q154 F156 V167 | Q154-Q158 VanDerWaalsContact O-CG 3.29Å; Q154-Q158 WeakPolarHBondContact O-CG 3.46Å; Q154-Q158 PolarHBondContact O-N 3.02Å; F156-Q158 VanDerWaalsContact C-N 3.27Å; F156-Q158 PolarHBondContact O-N 3.48Å; Q158-V167 HydrophobicContact CG-CB 3.99Å; Q158-V167 HydrophobicContact CG-CG2 4.39Å |
| 159 | K | 97.2 | Very high | 97.4 | Very high | 102 Ų | 102 | 58.5 Ų | 58.5 | 44% | 0.443 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -66.8 | 149.3 | 178.3 | -66.7 | -178.5 | 176.1 | -175.4 | 0 | 111.4 | F156 L157 A161 S162 | F156-K159 HydrophobicContact CD2-CD 3.94Å; F156-K159 HydrophobicContact CE2-CD 4.21Å; F156-K159 WeakPolarHBondContact O-CB 3.49Å; F156-K159 WeakPolarHBondContact O-CG 3.43Å; F156-K159 PolarHBondContact O-N 3Å; L157-K159 VanDerWaalsContact C-N 3.27Å; L157-K159 PolarHBondContact O-N 3.09Å; K159-A161 VanDerWaalsContact C-N 3.27Å; K159-A161 PolarHBondContact O-N 3.29Å; K159-S162 WeakPolarHBondContact O-CB 3.2Å; K159-S162 PolarHBondContact O-N 3.27Å |
| 160 | P | 96.1 | Very high | 97.5 | Very high | 121 Ų | 121 | 59.9 Ų | 59.9 | 79% | 0.786 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -36.5 | -177.8 | -28 | 35.4 | 0 | 0 | 0 | 114.8 | S162 | P160-S162 PolarHBondContact O-N 3.08Š|
| 161 | A | 95.6 | Very high | 97.4 | Very high | 73 Ų | 73 | 63.7 Ų | 63.7 | 60% | 0.603 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -1.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y98 K159 | Y98-A161 HydrophobicContact CE2-CB 4.31Å; Y98-A161 WeakPolarHBondContact CE2-O 3.13Å; K159-A161 VanDerWaalsContact C-N 3.27Å; K159-A161 PolarHBondContact O-N 3.29Å |
| 162 | S | 97.2 | Very high | 97 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.014 | 31% | 0.312 | C | S | . | . | trans | -67.4 | 138.2 | -179.9 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | L157 K159 P160 V164 R182 | L157-S162 WeakPolarHBondContact O-CB 3.41Å; L157-S162 PolarHBondContact O-OG 3.45Å; L157-S162 VanDerWaalsContact O-OG 3.08Å; K159-S162 WeakPolarHBondContact O-CB 3.2Å; K159-S162 PolarHBondContact O-N 3.27Å; P160-S162 PolarHBondContact O-N 3.08Å; S162-V164 PolarHBondContact O-N 3.13Å; S162-V164 VanDerWaalsContact O-N 3.15Å; S162-V164 VanDerWaalsContact OG-CG2 3.28Å; S162-V164 WeakPolarHBondContact OG-CG2 3.46Å; S162-V164 PolarHBondContact OG-N 2.92Å; S162-R182 WeakPolarHBondContact O-CD 3.44Å; S162-R182 PolarHBondContact O-NE 2.99Å | ||
| 163 | P | 97.3 | Very high | 96.4 | Very high | 6 Ų | 6 | 63.3 Ų | 63.3 | 4% | 0.039 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -66.7 | -9.7 | 173.5 | 28.7 | -36.1 | 0 | 0 | 0 | 113.4 | Y94 L95 Y98 F181 R182 | Y94-P163 HydrophobicContact CD1-CB 3.59Å; Y94-P163 HydrophobicContact CD1-CG 4.27Å; Y94-P163 HydrophobicContact CE1-CB 3.68Å; Y94-P163 HydrophobicContact CE1-CG 4.46Å; L95-P163 HydrophobicContact CB-CG 4.45Å; L95-P163 HydrophobicContact CD1-CG 3.8Å; Y98-P163 HydrophobicContact CD1-CG 4.43Å; Y98-P163 HydrophobicContact CG-CG 4.27Å; P163-F181 HydrophobicContact CB-CD1 4.33Å; P163-F181 HydrophobicContact CB-CE1 4.39Å; P163-R182 WeakPolarHBondContact O-CG 3.24Å; P163-R182 PolarHBondContact O-N 2.88Å |
| 164 | V | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 164.8 | 179.6 | -60.9 | 0 | 0 | 0 | 0 | 112 | L95 L157 S162 V167 C179 K180 F181 R182 | L95-V164 HydrophobicContact CD1-CG1 4.39Å; L157-V164 HydrophobicContact CB-CG2 3.93Å; L157-V164 HydrophobicContact CD1-CG2 4.27Å; L157-V164 HydrophobicContact CD2-CG2 3.91Å; L157-V164 HydrophobicContact CG-CG2 4.26Å; S162-V164 PolarHBondContact O-N 3.13Å; S162-V164 VanDerWaalsContact O-N 3.15Å; S162-V164 VanDerWaalsContact OG-CG2 3.28Å; S162-V164 WeakPolarHBondContact OG-CG2 3.46Å; S162-V164 PolarHBondContact OG-N 2.92Å; V164-V167 HydrophobicContact CG2-CG2 3.99Å; V164-C179 HydrophobicContact CB-CB 4.27Å; V164-C179 HydrophobicContact CG2-CB 4.43Å; V164-K180 CarbonylContact C-O 3.44Å; V164-K180 WeakPolarHBondContact CA-O 3.39Å; V164-K180 VanDerWaalsContact CB-O 3.31Å; V164-K180 WeakPolarHBondContact CB-O 3.42Å; V164-F181 HydrophobicContact CG1-CD1 3.64Å; V164-F181 HydrophobicContact CG1-CE1 3.79Å; V164-F181 HydrophobicContact CG1-CG 4.19Å; V164-F181 HydrophobicContact CG1-CZ 4.48Å; V164-R182 PolarHBondContact O-NE 2.91Å |
| 165 | F | 98 | Very high | 96 | Very high | 55 Ų | 55 | 64.4 Ų | 64.4 | 24% | 0.241 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 177 | 174.6 | 74 | -71.3 | 0 | 0 | 0 | 110.6 | V167 C179 K180 F181 R182 | F165-V167 VanDerWaalsContact C-N 3.25Å; F165-V167 PolarHBondContact O-N 2.98Å; F165-C179 WeakPolarHBondContact O-CB 3.24Å; F165-K180 HydrophobicContact CD1-CB 4.05Å; F165-K180 WeakPolarHBondContact CD1-O 3.39Å; F165-K180 HydrophobicContact CE1-CB 3.52Å; F165-K180 HydrophobicContact CZ-CB 3.91Å; F165-K180 HydrophobicContact CZ-CD 4.47Å; F165-K180 PolarHBondContact N-O 2.9Å; F165-K180 PolarHBondContact O-N 3.3Å; F165-F181 WeakPolarHBondContact CE1-O 3.38Å; F165-R182 HydrophobicContact CB-CG 4.3Å; F165-R182 HydrophobicContact CD1-CB 4.49Å; F165-R182 HydrophobicContact CD1-CG 3.81Å; F165-R182 HydrophobicContact CG-CG 4.4Å |
| 166 | K | 97.4 | Very high | 95.9 | Very high | 156 Ų | 156 | 59.2 Ų | 59.2 | 68% | 0.678 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 53.5 | 39.5 | -176.8 | -74.2 | 175.3 | 177.9 | -179.2 | 0 | 113.4 | K168 | K166-K168 PolarHBondContact O-N 3.05Å |
| 167 | V | 98.4 | Very high | 96 | Very high | 15 Ų | 15 | 58.6 Ų | 58.6 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 113.3 | -174.9 | -169.3 | 0 | 0 | 0 | 0 | 111.1 | Q154 L157 Q158 V164 F165 I177 C179 | Q154-V167 HydrophobicContact CB-CG1 4.4Å; Q154-V167 HydrophobicContact CG-CG1 3.86Å; L157-V167 HydrophobicContact CB-CG1 3.99Å; L157-V167 HydrophobicContact CB-CG2 3.87Å; L157-V167 HydrophobicContact CD1-CG1 4.36Å; Q158-V167 HydrophobicContact CG-CB 3.99Å; Q158-V167 HydrophobicContact CG-CG2 4.39Å; V164-V167 HydrophobicContact CG2-CG2 3.99Å; F165-V167 VanDerWaalsContact C-N 3.25Å; F165-V167 PolarHBondContact O-N 2.98Å; V167-I177 HydrophobicContact CG1-CG2 3.42Å; V167-I177 VanDerWaalsContact CG1-CG2 3.42Å; V167-C179 HydrophobicContact CB-CB 4.36Å; V167-C179 HydrophobicContact CG1-CB 4.49Å; V167-C179 HydrophobicContact CG2-CB 4.01Å |
| 168 | K | 98.5 | Very high | 96 | Very high | 138 Ų | 138 | 64.6 Ų | 64.6 | 60% | 0.6 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 124 | -179.8 | -178.4 | 180 | 179.8 | -179.9 | 0 | 110.8 | K166 I177 R178 | K166-K168 PolarHBondContact O-N 3.05Å; K168-I177 CarbonylContact O-C 3.05Å; K168-I177 WeakPolarHBondContact O-CA 3.39Å; K168-R178 PolarHBondContact N-O 3.06Å; K168-R178 PolarHBondContact O-N 3.02Å |
| 169 | L | 98.4 | Very high | 96.1 | Very high | 26 Ų | 26 | 59.5 Ų | 59.5 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 131.5 | 171 | 179.5 | 61.4 | 0 | 0 | 0 | 110.9 | L147 L150 R151 Q154 I177 | L147-L169 HydrophobicContact CD1-CD1 4.19Å; L147-L169 HydrophobicContact CD1-CD2 3.88Å; L147-L169 HydrophobicContact CD1-CG 4.19Å; L150-L169 HydrophobicContact CB-CD1 3.77Å; L150-L169 HydrophobicContact CD1-CD1 4.11Å; R151-L169 HydrophobicContact CB-CD2 4.38Å; R151-L169 HydrophobicContact CG-CD2 3.45Å; R151-L169 VanDerWaalsContact CG-CD2 3.45Å; Q154-L169 VanDerWaalsContact OE1-CB 3.24Å; L169-I177 HydrophobicContact CD1-CG1 3.86Å |
| 170 | I | 97.2 | Very high | 96.1 | Very high | 51 Ų | 51 | 58 Ų | 58 | 26% | 0.262 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 111.7 | 177.7 | -57.2 | 175.2 | 0 | 0 | 0 | 108 | A172 P175 I176 R178 | I170-A172 HydrophobicContact CG2-CB 4.1Å; I170-A172 PolarHBondContact O-N 3.5Å; I170-P175 WeakPolarHBondContact O-CA 3.36Å; I170-I176 PolarHBondContact N-O 3.06Å; I170-I176 PolarHBondContact O-N 3.11Å; I170-I176 VanDerWaalsContact O-N 3.12Å; I170-R178 HydrophobicContact CD1-CB 4.27Å |
| 171 | P | 94.5 | Very high | 96.2 | Very high | 79 Ų | 79 | 52.2 Ų | 52.2 | 51% | 0.513 | 26% | 0.263 | S | S | . | . | trans | -82 | 41.4 | -177.6 | 35.2 | -36.7 | 0 | 0 | 0 | 112.9 | R143 L147 | R143-P171 PolarHBondContact NH1-O 3.29Å; R143-P171 PolarHBondContact NH2-O 3.47Å; L147-P171 HydrophobicContact CD1-CB 3.96Å; L147-P171 HydrophobicContact CD2-CB 4.29Å | ||
| 172 | A | 89.9 | Confident | 96.3 | Very high | 49 Ų | 49 | 53.8 Ų | 53.8 | 41% | 0.405 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -69.2 | 167.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R143 I170 V174 P175 | R143-A172 PolarHBondContact NH1-O 3.19Å; I170-A172 HydrophobicContact CG2-CB 4.1Å; I170-A172 PolarHBondContact O-N 3.5Å; A172-V174 VanDerWaalsContact C-N 3.26Å; A172-V174 CarbonylContact O-C 3.59Å; A172-V174 PolarHBondContact O-N 3.43Å; A172-V174 VanDerWaalsContact O-N 3.08Å; A172-P175 VanDerWaalsContact O-N 3.13Å |
| 173 | R | 84.8 | Confident | 96.2 | Very high | 138 Ų | 138 | 60.4 Ų | 60.4 | 52% | 0.521 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -39.3 | -53.3 | -174.4 | 174.5 | -179.9 | 165.2 | 125.8 | -7.6 | 113 | R143 P175 M334 | R143-R173 VanDerWaalsContact NH1-CA 3.29Å; R143-R173 PolarHBondContact NH1-O 3.39Å; R173-P175 WeakPolarHBondContact O-CD 3.19Å; R173-M334 VanDerWaalsContact NH2-CG 3.31Å |
| 174 | V | 90.5 | Very high | 96.1 | Very high | 57 Ų | 57 | 65.3 Ų | 65.3 | 35% | 0.345 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -92.4 | 110.7 | 161 | -179.1 | 0 | 0 | 0 | 0 | 106.8 | A172 N192 N195 | A172-V174 VanDerWaalsContact C-N 3.26Å; A172-V174 CarbonylContact O-C 3.59Å; A172-V174 PolarHBondContact O-N 3.43Å; A172-V174 VanDerWaalsContact O-N 3.08Å; V174-N192 HydrophobicContact CG1-CB 4.14Å; V174-N195 HydrophobicContact CG1-CB 4.4Å |
| 175 | P | 95.2 | Very high | 95.9 | Very high | 6 Ų | 6 | 69 Ų | 69 | 4% | 0.039 | 33% | 0.334 | C | S | . | . | trans | -63.6 | 137.5 | 178 | -26.5 | 38.5 | 0 | 0 | 0 | 111.5 | R143 L147 L150 I170 A172 R173 | R143-P175 HydrophobicContact CG-CG 4.27Å; L147-P175 HydrophobicContact CB-CB 4.37Å; L147-P175 HydrophobicContact CB-CG 3.96Å; L147-P175 HydrophobicContact CD1-CB 3.86Å; L147-P175 HydrophobicContact CD1-CG 4.13Å; L150-P175 HydrophobicContact CD1-CB 3.73Å; L150-P175 VanDerWaalsContact CD1-O 3.25Å; L150-P175 WeakPolarHBondContact CD1-O 3.37Å; I170-P175 WeakPolarHBondContact O-CA 3.36Å; A172-P175 VanDerWaalsContact O-N 3.13Å; R173-P175 WeakPolarHBondContact O-CD 3.19Å | ||
| 176 | I | 97.1 | Very high | 95.8 | Very high | 45 Ų | 45 | 70.3 Ų | 70.3 | 23% | 0.231 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 137.8 | -177.4 | -61.8 | 169.9 | 0 | 0 | 0 | 109.6 | I170 D190 I191 N192 | I170-I176 PolarHBondContact N-O 3.06Å; I170-I176 PolarHBondContact O-N 3.11Å; I170-I176 VanDerWaalsContact O-N 3.12Å; I176-D190 HydrophobicContact CG2-CB 3.71Å; I176-I191 CarbonylContact C-O 3.45Å; I176-I191 WeakPolarHBondContact CA-O 3.33Å; I176-N192 HydrophobicContact CG1-CB 4.31Å |
| 177 | I | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 119.1 | 163.4 | -64.8 | 172.5 | 0 | 0 | 0 | 108.3 | L150 V153 Q154 L157 V167 K168 L169 D190 I191 | L150-I177 HydrophobicContact CB-CD1 4.08Å; L150-I177 HydrophobicContact CB-CG1 4.21Å; L150-I177 HydrophobicContact CD2-CD1 3.84Å; L150-I177 HydrophobicContact CD2-CG1 4.19Å; L150-I177 HydrophobicContact CG-CD1 4.48Å; L150-I177 WeakPolarHBondContact O-CD1 3.31Å; V153-I177 HydrophobicContact CB-CD1 3.84Å; V153-I177 HydrophobicContact CG1-CD1 3.64Å; Q154-I177 HydrophobicContact CB-CD1 4.11Å; L157-I177 HydrophobicContact CD1-CG2 4.44Å; V167-I177 HydrophobicContact CG1-CG2 3.42Å; V167-I177 VanDerWaalsContact CG1-CG2 3.42Å; K168-I177 CarbonylContact O-C 3.05Å; K168-I177 WeakPolarHBondContact O-CA 3.39Å; L169-I177 HydrophobicContact CD1-CG1 3.86Å; I177-D190 CarbonylContact O-C 3.55Å; I177-D190 WeakPolarHBondContact O-CA 3.45Å; I177-I191 HydrophobicContact CB-CB 4.25Å; I177-I191 PolarHBondContact N-O 2.59Å; I177-I191 PolarHBondContact O-N 2.85Å |
| 178 | R | 98.6 | Very high | 95.7 | Very high | 127 Ų | 127 | 65 Ų | 65 | 48% | 0.479 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 129.3 | 169.6 | -174.1 | 160.1 | -67.9 | 171.6 | -0.6 | 109.8 | K168 I170 V189 D190 | K168-R178 PolarHBondContact N-O 3.06Å; K168-R178 PolarHBondContact O-N 3.02Å; I170-R178 HydrophobicContact CD1-CB 4.27Å; R178-V189 WeakPolarHBondContact CA-O 3.39Å; R178-D190 WeakPolarHBondContact CB-OD1 3.41Å; R178-D190 VanDerWaalsContact CG-OD1 3.23Å; R178-D190 WeakPolarHBondContact CG-OD1 3.23Å; R178-D190 IonicContact CZ-OD1 2.69Å; R178-D190 IonicContact CZ-OD2 3.7Å; R178-D190 IonicContact NE-OD1 3.37Å; R178-D190 PolarHBondContact NE-OD1 2.85Å; R178-D190 IonicContact NE-OD2 2.65Å; R178-D190 PolarHBondContact NE-OD2 3.06Å; R178-D190 IonicContact NH2-OD1 3.44Å; R178-D190 IonicContact NH2-OD2 3.46Å; R178-D190 PolarHBondContact NH2-OD2 3.13Å |
| 179 | C | 98.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.02 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | -178.5 | 178.2 | 64.9 | 0 | 0 | 0 | 0 | 111.1 | V164 F165 V167 V189 | V164-C179 HydrophobicContact CB-CB 4.27Å; V164-C179 HydrophobicContact CG2-CB 4.43Å; F165-C179 WeakPolarHBondContact O-CB 3.24Å; V167-C179 HydrophobicContact CB-CB 4.36Å; V167-C179 HydrophobicContact CG1-CB 4.49Å; V167-C179 HydrophobicContact CG2-CB 4.01Å; C179-V189 PolarHBondContact N-O 3.2Å; C179-V189 PolarHBondContact O-N 3.33Å |
| 180 | K | 98.3 | Very high | 95.6 | Very high | 71 Ų | 71 | 57.8 Ų | 57.8 | 31% | 0.309 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 140.9 | 172.4 | -66.3 | -157.3 | 168.9 | -156 | 0 | 110.8 | V164 F165 Y187 S188 | V164-K180 CarbonylContact C-O 3.44Å; V164-K180 WeakPolarHBondContact CA-O 3.39Å; V164-K180 VanDerWaalsContact CB-O 3.31Å; V164-K180 WeakPolarHBondContact CB-O 3.42Å; F165-K180 HydrophobicContact CD1-CB 4.05Å; F165-K180 WeakPolarHBondContact CD1-O 3.39Å; F165-K180 HydrophobicContact CE1-CB 3.52Å; F165-K180 HydrophobicContact CZ-CB 3.91Å; F165-K180 HydrophobicContact CZ-CD 4.47Å; F165-K180 PolarHBondContact N-O 2.9Å; F165-K180 PolarHBondContact O-N 3.3Å; K180-Y187 CarbonylContact C-O 3.58Å; K180-Y187 VanDerWaalsContact CA-O 3.3Å; K180-Y187 WeakPolarHBondContact CA-O 3.27Å; K180-S188 VanDerWaalsContact CE-OG 3.32Å; K180-S188 WeakPolarHBondContact CE-OG 2.99Å |
| 181 | F | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 138 | 166.3 | -80.3 | -67.7 | 0 | 0 | 0 | 110.6 | V91 V92 L95 I126 P163 V164 F165 W185 N186 Y187 V189 | V91-F181 HydrophobicContact CB-CZ 4.46Å; V91-F181 HydrophobicContact CG1-CD2 3.97Å; V91-F181 HydrophobicContact CG1-CE2 3.78Å; V91-F181 HydrophobicContact CG1-CG 4.45Å; V91-F181 HydrophobicContact CG1-CZ 4.14Å; V91-F181 HydrophobicContact CG2-CB 4.21Å; V91-F181 HydrophobicContact CG2-CD1 3.34Å; V91-F181 HydrophobicContact CG2-CD2 3.91Å; V91-F181 HydrophobicContact CG2-CE1 3.52Å; V91-F181 HydrophobicContact CG2-CE2 4.04Å; V91-F181 HydrophobicContact CG2-CG 3.55Å; V91-F181 HydrophobicContact CG2-CZ 3.86Å; V92-F181 HydrophobicContact CG2-CE2 4.44Å; V92-F181 HydrophobicContact CG2-CZ 4.46Å; L95-F181 HydrophobicContact CB-CE1 3.84Å; L95-F181 HydrophobicContact CB-CZ 3.88Å; L95-F181 HydrophobicContact CD2-CE1 4.28Å; L95-F181 HydrophobicContact CD2-CZ 3.88Å; L95-F181 HydrophobicContact CG-CE1 4.49Å; L95-F181 HydrophobicContact CG-CZ 4.45Å; I126-F181 HydrophobicContact CD1-CD2 4.15Å; I126-F181 HydrophobicContact CD1-CE2 3.92Å; P163-F181 HydrophobicContact CB-CD1 4.33Å; P163-F181 HydrophobicContact CB-CE1 4.39Å; V164-F181 HydrophobicContact CG1-CD1 3.64Å; V164-F181 HydrophobicContact CG1-CE1 3.79Å; V164-F181 HydrophobicContact CG1-CG 4.19Å; V164-F181 HydrophobicContact CG1-CZ 4.48Å; F165-F181 WeakPolarHBondContact CE1-O 3.38Å; F181-W185 HydrophobicContact CB-CB 4.12Å; F181-N186 VanDerWaalsContact O-CA 3.27Å; F181-N186 WeakPolarHBondContact O-CA 3.45Å; F181-N186 PolarHBondContact O-N 3.44Å; F181-Y187 PolarHBondContact N-O 3.3Å; F181-V189 HydrophobicContact CD2-CG2 3.22Å; F181-V189 HydrophobicContact CE2-CG2 3.27Å; F181-V189 HydrophobicContact CG-CG2 4.18Å; F181-V189 HydrophobicContact CZ-CG2 4.23Å |
| 182 | R | 97.6 | Very high | 95.7 | Very high | 105 Ų | 105 | 52.4 Ų | 52.4 | 40% | 0.396 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 162.9 | 175.6 | -69.4 | -179 | 179.9 | -86.5 | 0.1 | 110.7 | S162 P163 V164 F165 W185 N186 | S162-R182 WeakPolarHBondContact O-CD 3.44Å; S162-R182 PolarHBondContact O-NE 2.99Å; P163-R182 WeakPolarHBondContact O-CG 3.24Å; P163-R182 PolarHBondContact O-N 2.88Å; V164-R182 PolarHBondContact O-NE 2.91Å; F165-R182 HydrophobicContact CB-CG 4.3Å; F165-R182 HydrophobicContact CD1-CB 4.49Å; F165-R182 HydrophobicContact CD1-CG 3.81Å; F165-R182 HydrophobicContact CG-CG 4.4Å; R182-W185 PolarHBondContact O-N 2.98Å; R182-N186 PolarHBondContact O-N 2.95Å |
| 183 | L | 95.7 | Very high | 95.9 | Very high | 141 Ų | 141 | 51.3 Ų | 51.3 | 74% | 0.738 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | 144.3 | 171 | -70.4 | 174.3 | 0 | 0 | 0 | 110.2 | N186 | L183-N186 HydrophobicContact CD2-CB 4.18Š|
| 184 | P | 94.5 | Very high | 96.2 | Very high | 110 Ų | 110 | 45.6 Ų | 45.6 | 71% | 0.714 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -85 | -9.3 | 10.2 | 33.6 | -35.9 | 0 | 0 | 0 | 115.6 | ||
| 185 | W | 93.5 | Very high | 96.2 | Very high | 78 Ų | 78 | 44.7 Ų | 44.7 | 30% | 0.295 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -44.6 | -169.6 | -57.7 | -69.9 | 0 | 0 | 0 | 115 | V91 Y94 F181 R182 Y187 | V91-W185 HydrophobicContact CB-CD2 4.05Å; V91-W185 HydrophobicContact CB-CG 4.03Å; V91-W185 HydrophobicContact CG2-CB 4.12Å; V91-W185 HydrophobicContact CG2-CD2 3.36Å; V91-W185 HydrophobicContact CG2-CE3 3.57Å; V91-W185 HydrophobicContact CG2-CG 3.63Å; V91-W185 HydrophobicContact CG2-CH2 4.47Å; V91-W185 HydrophobicContact CG2-CZ2 4.31Å; V91-W185 HydrophobicContact CG2-CZ3 4.13Å; Y94-W185 HydrophobicContact CD1-CH2 4.08Å; Y94-W185 HydrophobicContact CD1-CZ3 4.3Å; Y94-W185 HydrophobicContact CE1-CH2 4.42Å; F181-W185 HydrophobicContact CB-CB 4.12Å; R182-W185 PolarHBondContact O-N 2.98Å; W185-Y187 HydrophobicContact CB-CD2 3.91Å; W185-Y187 HydrophobicContact CB-CE2 4.29Å; W185-Y187 PolarHBondContact O-N 2.81Å |
| 186 | N | 95.4 | Very high | 95.8 | Very high | 81 Ų | 81 | 45.4 Ų | 45.4 | 43% | 0.433 | 22% | 0.22 | S | C | . | . | trans | 54.5 | 20.2 | 176.4 | -160.5 | 32.8 | 0 | 0 | 0 | 117 | F181 R182 L183 | F181-N186 VanDerWaalsContact O-CA 3.27Å; F181-N186 WeakPolarHBondContact O-CA 3.45Å; F181-N186 PolarHBondContact O-N 3.44Å; R182-N186 PolarHBondContact O-N 2.95Å; L183-N186 HydrophobicContact CD2-CB 4.18Å | ||
| 187 | Y | 96.9 | Very high | 95.4 | Very high | 30 Ų | 30 | 45.6 Ų | 45.6 | 12% | 0.118 | 22% | 0.22 | C | C | . | . | trans | -71.6 | 135.8 | 176.2 | -69.9 | -62.7 | 0 | 0 | 0 | 112 | K84 E87 K88 V91 I126 K180 F181 W185 | K84-Y187 WeakPolarHBondContact CE-OH 3.5Å; K84-Y187 WeakPolarHBondContact CG-OH 3.45Å; E87-Y187 HydrophobicContact CG-CE2 4.22Å; E87-Y187 PolarHBondContact OE2-OH 3.13Å; K88-Y187 HydrophobicContact CG-CD2 4.47Å; K88-Y187 HydrophobicContact CG-CE1 4.37Å; K88-Y187 HydrophobicContact CG-CE2 4.26Å; V91-Y187 HydrophobicContact CG1-CD2 4.19Å; I126-Y187 HydrophobicContact CD1-CD2 4.14Å; I126-Y187 HydrophobicContact CD1-CG 3.87Å; K180-Y187 CarbonylContact C-O 3.58Å; K180-Y187 VanDerWaalsContact CA-O 3.3Å; K180-Y187 WeakPolarHBondContact CA-O 3.27Å; F181-Y187 PolarHBondContact N-O 3.3Å; W185-Y187 HydrophobicContact CB-CD2 3.91Å; W185-Y187 HydrophobicContact CB-CE2 4.29Å; W185-Y187 PolarHBondContact O-N 2.81Å | ||
| 188 | S | 97.4 | Very high | 95 | Very high | 29 Ų | 29 | 46.2 Ų | 46.2 | 20% | 0.203 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 141.7 | 167 | -55.6 | 0 | 0 | 0 | 0 | 110.2 | D125 I126 K180 | D125-S188 WeakPolarHBondContact OD1-CB 3.41Å; I126-S188 PolarHBondContact N-O 3.16Å; K180-S188 VanDerWaalsContact CE-OG 3.32Å; K180-S188 WeakPolarHBondContact CE-OG 2.99Å |
| 189 | V | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 128.8 | -175 | -168.1 | 0 | 0 | 0 | 0 | 110.8 | I126 L128 R178 C179 F181 I191 | I126-V189 HydrophobicContact CB-CG1 4.42Å; I126-V189 HydrophobicContact CB-CG2 4.34Å; I126-V189 VanDerWaalsContact O-CA 3.24Å; I126-V189 WeakPolarHBondContact O-CA 3.5Å; I126-V189 WeakPolarHBondContact O-CG1 3.48Å; L128-V189 HydrophobicContact CD1-CG1 3.49Å; L128-V189 VanDerWaalsContact CD1-CG1 3.49Å; L128-V189 HydrophobicContact CG-CG1 3.81Å; R178-V189 WeakPolarHBondContact CA-O 3.39Å; C179-V189 PolarHBondContact N-O 3.2Å; C179-V189 PolarHBondContact O-N 3.33Å; F181-V189 HydrophobicContact CD2-CG2 3.22Å; F181-V189 HydrophobicContact CE2-CG2 3.27Å; F181-V189 HydrophobicContact CG-CG2 4.18Å; F181-V189 HydrophobicContact CZ-CG2 4.23Å; V189-I191 HydrophobicContact CG1-CD1 4.24Å; V189-I191 HydrophobicContact CG1-CG1 3.75Å |
| 190 | D | 98.1 | Very high | 94.3 | Very high | 13 Ų | 13 | 40.7 Ų | 40.7 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 124.4 | 170 | -82.4 | -3.2 | 0 | 0 | 0 | 109.3 | I126 D127 L128 I176 I177 R178 | I126-D190 PolarHBondContact O-N 3.24Å; D127-D190 CarbonylContact C-O 3.53Å; D127-D190 WeakPolarHBondContact CA-O 3.32Å; L128-D190 PolarHBondContact N-O 3.36Å; I176-D190 HydrophobicContact CG2-CB 3.71Å; I177-D190 CarbonylContact O-C 3.55Å; I177-D190 WeakPolarHBondContact O-CA 3.45Å; R178-D190 WeakPolarHBondContact CB-OD1 3.41Å; R178-D190 VanDerWaalsContact CG-OD1 3.23Å; R178-D190 WeakPolarHBondContact CG-OD1 3.23Å; R178-D190 IonicContact CZ-OD1 2.69Å; R178-D190 IonicContact CZ-OD2 3.7Å; R178-D190 IonicContact NE-OD1 3.37Å; R178-D190 PolarHBondContact NE-OD1 2.85Å; R178-D190 IonicContact NE-OD2 2.65Å; R178-D190 PolarHBondContact NE-OD2 3.06Å; R178-D190 IonicContact NH2-OD1 3.44Å; R178-D190 IonicContact NH2-OD2 3.46Å; R178-D190 PolarHBondContact NH2-OD2 3.13Å |
| 191 | I | 98.1 | Very high | 94 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 118.4 | -174.8 | -48.4 | 177.9 | 0 | 0 | 0 | 109.6 | L95 L128 L130 L157 I176 I177 V189 | L95-I191 HydrophobicContact CD2-CD1 4.09Å; L128-I191 HydrophobicContact CB-CG1 4.26Å; L128-I191 HydrophobicContact CB-CG2 4.4Å; L128-I191 HydrophobicContact CD1-CD1 4.47Å; L128-I191 HydrophobicContact CD1-CG1 4.19Å; L128-I191 WeakPolarHBondContact O-CA 3.44Å; L130-I191 HydrophobicContact CD1-CG2 3.8Å; L130-I191 HydrophobicContact CD2-CG2 4.15Å; L130-I191 HydrophobicContact CG-CG2 3.6Å; L157-I191 HydrophobicContact CD1-CD1 3.94Å; I176-I191 CarbonylContact C-O 3.45Å; I176-I191 WeakPolarHBondContact CA-O 3.33Å; I177-I191 HydrophobicContact CB-CB 4.25Å; I177-I191 PolarHBondContact N-O 2.59Å; I177-I191 PolarHBondContact O-N 2.85Å; V189-I191 HydrophobicContact CG1-CD1 4.24Å; V189-I191 HydrophobicContact CG1-CG1 3.75Å |
| 192 | N | 95.8 | Very high | 93.7 | Very high | 15 Ų | 15 | 38.2 Ų | 38.2 | 8% | 0.08 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 174.1 | 171 | 64.2 | 60.5 | 0 | 0 | 0 | 111.3 | L128 C129 L130 V174 I176 N195 | L128-N192 PolarHBondContact O-N 2.86Å; L128-N192 PolarHBondContact O-ND2 2.92Å; C129-N192 WeakPolarHBondContact CA-OD1 3.44Å; C129-N192 VanDerWaalsContact CB-OD1 3.31Å; C129-N192 WeakPolarHBondContact CB-OD1 3.34Å; C129-N192 PolarHBondContact SG-OD1 3.03Å; L130-N192 PolarHBondContact N-O 2.96Å; V174-N192 HydrophobicContact CG1-CB 4.14Å; I176-N192 HydrophobicContact CG1-CB 4.31Å; N192-N195 HydrophobicContact CB-CB 4.44Å; N192-N195 VanDerWaalsContact OD1-CB 3.27Å; N192-N195 WeakPolarHBondContact OD1-CB 3.28Å |
| 193 | W | 94.2 | Very high | 93.3 | Very high | 27 Ų | 27 | 33.3 Ų | 33.3 | 10% | 0.102 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 126 | -177 | 177.7 | -89.7 | 0 | 0 | 0 | 110.6 | I105 A107 L130 D132 A146 T149 L150 N195 | I105-W193 HydrophobicContact CG2-CH2 4.25Å; I105-W193 HydrophobicContact CG2-CZ3 3.98Å; A107-W193 HydrophobicContact CB-CH2 3.94Å; A107-W193 HydrophobicContact CB-CZ3 3.71Å; L130-W193 HydrophobicContact CB-CD2 4.5Å; L130-W193 HydrophobicContact CB-CE3 3.52Å; L130-W193 HydrophobicContact CB-CZ3 3.82Å; L130-W193 HydrophobicContact CD1-CE3 3.96Å; L130-W193 HydrophobicContact CD1-CZ3 4.24Å; L130-W193 HydrophobicContact CG-CE3 4.39Å; D132-W193 HydrophobicContact CB-CH2 3.97Å; D132-W193 HydrophobicContact CB-CZ2 3.77Å; A146-W193 HydrophobicContact CB-CB 4.25Å; A146-W193 HydrophobicContact CB-CG 4.4Å; T149-W193 HydrophobicContact CG2-CD2 3.58Å; T149-W193 HydrophobicContact CG2-CE3 3.52Å; T149-W193 HydrophobicContact CG2-CG 4.33Å; T149-W193 HydrophobicContact CG2-CH2 3.77Å; T149-W193 HydrophobicContact CG2-CZ2 3.79Å; T149-W193 HydrophobicContact CG2-CZ3 3.63Å; L150-W193 HydrophobicContact CD1-CB 4.45Å; L150-W193 HydrophobicContact CD2-CB 3.96Å; L150-W193 HydrophobicContact CG-CB 3.98Å; W193-N195 PolarHBondContact O-N 3.1Å |
| 194 | N | 89.8 | Confident | 93.1 | Very high | 17 Ų | 17 | 26.6 Ų | 26.6 | 9% | 0.091 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 44.8 | 35.4 | 177.9 | -71.9 | -5.3 | 0 | 0 | 0 | 114.1 | L130 V131 D132 V196 | L130-N194 PolarHBondContact O-N 3.4Å; L130-N194 PolarHBondContact O-OD1 3.13Å; V131-N194 WeakPolarHBondContact CA-OD1 3.4Å; D132-N194 VanDerWaalsContact CG-ND2 3.34Å; D132-N194 PolarHBondContact N-OD1 3.03Å; D132-N194 PolarHBondContact OD2-ND2 3.23Å; N194-V196 VanDerWaalsContact C-N 3.25Å; N194-V196 PolarHBondContact O-N 3.17Å |
| 195 | N | 90 | Very high | 93 | Very high | 38 Ų | 38 | 21.4 Ų | 21.4 | 20% | 0.203 | 11% | 0.11 | C | C | . | . | trans | -80.9 | 75.9 | 174.1 | -175.4 | 15.8 | 0 | 0 | 0 | 110.2 | C129 V174 N192 W193 H197 G198 I199 | C129-N195 PolarHBondContact SG-N 2.89Å; V174-N195 HydrophobicContact CG1-CB 4.4Å; N192-N195 HydrophobicContact CB-CB 4.44Å; N192-N195 VanDerWaalsContact OD1-CB 3.27Å; N192-N195 WeakPolarHBondContact OD1-CB 3.28Å; W193-N195 PolarHBondContact O-N 3.1Å; N195-H197 VanDerWaalsContact C-N 3.31Å; N195-H197 PolarHBondContact O-N 3.22Å; N195-G198 PolarHBondContact O-N 3.3Å; N195-G198 VanDerWaalsContact O-N 3.14Å; N195-G198 PolarHBondContact OD1-N 2.74Å; N195-I199 PolarHBondContact O-N 3.17Å | ||
| 196 | V | 87.6 | Confident | 92.7 | Very high | 21 Ų | 21 | 17.7 Ų | 17.7 | 13% | 0.127 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57.8 | -42.7 | -178.4 | -178.6 | 0 | 0 | 0 | 0 | 111.5 | P137 N194 G198 I199 C200 L266 | P137-V196 HydrophobicContact CB-CG2 4.06Å; P137-V196 WeakPolarHBondContact O-CG2 3.36Å; N194-V196 VanDerWaalsContact C-N 3.25Å; N194-V196 PolarHBondContact O-N 3.17Å; V196-G198 VanDerWaalsContact C-N 3.27Å; V196-G198 PolarHBondContact O-N 2.67Å; V196-I199 WeakPolarHBondContact O-CB 3.46Å; V196-I199 PolarHBondContact O-N 3Å; V196-C200 PolarHBondContact O-N 3.27Å; V196-C200 PolarHBondContact O-SG 3.4Å; V196-L266 HydrophobicContact CG1-CD1 4.25Å; V196-L266 HydrophobicContact CG1-CD2 3.84Å; V196-L266 HydrophobicContact CG1-CG 4.09Å; V196-L266 HydrophobicContact CG2-CD1 4.07Å |
| 197 | H | 88.5 | Confident | 92.3 | Very high | 49 Ų | 49 | 14.4 Ų | 14.4 | 23% | 0.227 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -57.8 | -40.2 | 177.3 | -56.4 | 143 | 0 | 0 | 0 | 112.1 | N195 I199 C200 N201 D332 | N195-H197 VanDerWaalsContact C-N 3.31Å; N195-H197 PolarHBondContact O-N 3.22Å; H197-I199 VanDerWaalsContact C-N 3.31Å; H197-I199 PolarHBondContact O-N 3.18Å; H197-C200 PolarHBondContact O-N 2.96Å; H197-N201 WeakPolarHBondContact O-CB 3.19Å; H197-N201 VanDerWaalsContact O-CG 3.3Å; H197-N201 PolarHBondContact O-N 3.04Å; H197-D332 HydrophobicContact CB-CB 4.44Å; H197-D332 WeakPolarHBondContact ND1-CB 3.35Å |
| 198 | G | 90.6 | Very high | 91.9 | Very high | 14 Ų | 14 | 13 Ų | 13 | 14% | 0.144 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.9 | -36.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N195 V196 T202 | N195-G198 PolarHBondContact O-N 3.3Å; N195-G198 VanDerWaalsContact O-N 3.14Å; N195-G198 PolarHBondContact OD1-N 2.74Å; V196-G198 VanDerWaalsContact C-N 3.27Å; V196-G198 PolarHBondContact O-N 2.67Å; G198-T202 WeakPolarHBondContact O-CB 3.34Å; G198-T202 PolarHBondContact O-N 2.85Å; G198-T202 PolarHBondContact O-OG1 3.47Å |
| 199 | I | 90.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -68.3 | -46.9 | 175.2 | -58 | 169.6 | 0 | 0 | 0 | 110.2 | C110 V112 C129 V131 N195 V196 H197 T202 H203 L266 L269 F271 | C110-I199 HydrophobicContact CB-CD1 4.27Å; V112-I199 HydrophobicContact CG1-CB 4.33Å; V112-I199 HydrophobicContact CG1-CG1 3.7Å; C129-I199 HydrophobicContact CB-CD1 4.12Å; C129-I199 HydrophobicContact CB-CG1 4.02Å; V131-I199 HydrophobicContact CG2-CD1 3.68Å; N195-I199 PolarHBondContact O-N 3.17Å; V196-I199 WeakPolarHBondContact O-CB 3.46Å; V196-I199 PolarHBondContact O-N 3Å; H197-I199 VanDerWaalsContact C-N 3.31Å; H197-I199 PolarHBondContact O-N 3.18Å; I199-T202 WeakPolarHBondContact O-CB 3.27Å; I199-T202 PolarHBondContact O-N 3.23Å; I199-H203 PolarHBondContact O-N 3.2Å; I199-L266 HydrophobicContact CB-CD2 4.06Å; I199-L266 HydrophobicContact CD1-CD1 3.85Å; I199-L266 HydrophobicContact CD1-CD2 4.02Å; I199-L266 HydrophobicContact CG2-CD2 3.85Å; I199-L269 HydrophobicContact CG2-CD1 3.7Å; I199-F271 HydrophobicContact CG2-CZ 4.33Å |
| 200 | C | 91 | Very high | 90.2 | Very high | 12 Ų | 12 | 15.4 Ų | 15.4 | 8% | 0.081 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.6 | -43.5 | 179 | -65 | 0 | 0 | 0 | 0 | 112.3 | V196 H197 T202 H203 L204 Y331 | V196-C200 PolarHBondContact O-N 3.27Å; V196-C200 PolarHBondContact O-SG 3.4Å; H197-C200 PolarHBondContact O-N 2.96Å; C200-T202 VanDerWaalsContact C-N 3.34Å; C200-T202 PolarHBondContact O-N 3.24Å; C200-H203 WeakPolarHBondContact O-CB 3.3Å; C200-H203 PolarHBondContact O-N 3.5Å; C200-L204 WeakPolarHBondContact O-CB 3.32Å; C200-L204 PolarHBondContact O-N 3.38Å; C200-Y331 HydrophobicContact CB-CD1 3.72Å; C200-Y331 HydrophobicContact CB-CD2 3.62Å; C200-Y331 HydrophobicContact CB-CE1 3.76Å; C200-Y331 HydrophobicContact CB-CE2 3.65Å; C200-Y331 HydrophobicContact CB-CG 3.65Å; C200-Y331 WeakPolarHBondContact O-CE2 3.29Å |
| 201 | N | 92.6 | Very high | 88.9 | Confident | 12 Ų | 12 | 17.3 Ų | 17.3 | 6% | 0.064 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.5 | -47.3 | 173.1 | -78.3 | -18.2 | 0 | 0 | 0 | 110.9 | H197 H203 L204 L205 Y230 E329 Y331 | H197-N201 WeakPolarHBondContact O-CB 3.19Å; H197-N201 VanDerWaalsContact O-CG 3.3Å; H197-N201 PolarHBondContact O-N 3.04Å; N201-H203 VanDerWaalsContact C-N 3.31Å; N201-H203 PolarHBondContact O-N 3.19Å; N201-L204 PolarHBondContact O-N 2.82Å; N201-L205 WeakPolarHBondContact O-CD1 3.34Å; N201-L205 PolarHBondContact O-N 2.51Å; N201-Y230 HydrophobicContact CB-CE2 4.22Å; N201-Y230 PolarHBondContact ND2-OH 2.53Å; N201-Y230 PolarHBondContact OD1-OH 2.85Å; N201-E329 PolarHBondContact ND2-OE2 3.35Å; N201-Y331 VanDerWaalsContact OD1-CD2 3.26Å; N201-Y331 WeakPolarHBondContact OD1-CD2 3.09Å |
| 202 | T | 91.9 | Very high | 87.1 | Confident | 8 Ų | 8 | 18.3 Ų | 18.3 | 5% | 0.049 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.7 | -43.8 | 177.8 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | V112 G113 V116 N117 G198 I199 C200 L205 H206 F271 | V112-T202 HydrophobicContact CB-CG2 4.48Å; V112-T202 WeakPolarHBondContact CB-OG1 3.37Å; G113-T202 PolarHBondContact N-OG1 3.15Å; V116-T202 HydrophobicContact CG2-CG2 3.54Å; N117-T202 HydrophobicContact CB-CG2 4.03Å; G198-T202 WeakPolarHBondContact O-CB 3.34Å; G198-T202 PolarHBondContact O-N 2.85Å; G198-T202 PolarHBondContact O-OG1 3.47Å; I199-T202 WeakPolarHBondContact O-CB 3.27Å; I199-T202 PolarHBondContact O-N 3.23Å; C200-T202 VanDerWaalsContact C-N 3.34Å; C200-T202 PolarHBondContact O-N 3.24Å; T202-L205 PolarHBondContact O-N 2.94Å; T202-H206 WeakPolarHBondContact O-CB 3.33Å; T202-H206 PolarHBondContact O-N 3.34Å; T202-F271 HydrophobicContact CG2-CE1 4.07Å |
| 203 | H | 89.7 | Confident | 85.3 | Confident | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.009 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.7 | -46.6 | 176.5 | 179.6 | -93.7 | 0 | 0 | 0 | 111.6 | I199 C200 N201 L205 H206 H207 F260 T270 F271 | I199-H203 PolarHBondContact O-N 3.2Å; C200-H203 WeakPolarHBondContact O-CB 3.3Å; C200-H203 PolarHBondContact O-N 3.5Å; N201-H203 VanDerWaalsContact C-N 3.31Å; N201-H203 PolarHBondContact O-N 3.19Å; H203-L205 PolarHBondContact O-N 3.19Å; H203-H206 WeakPolarHBondContact O-CB 3.19Å; H203-H206 PolarHBondContact O-N 3.39Å; H203-H207 AromaticContact CD2-NE2 3.98Å; H203-H207 AromaticContact CE1-CD2 3.46Å; H203-H207 PolarHBondContact CE1-CD2 2.88Å; H203-H207 VanDerWaalsContact CE1-CD2 3.46Å; H203-H207 AromaticContact CE1-NE2 3.39Å; H203-H207 PolarHBondContact CE1-NE2 3.37Å; H203-H207 AromaticContact ND1-CD2 3.92Å; H203-H207 AromaticContact NE2-CD2 3.61Å; H203-H207 AromaticContact NE2-NE2 3.2Å; H203-H207 PolarHBondContact NE2-NE2 3.08Å; H203-H207 VanDerWaalsContact NE2-NE2 3.2Å; H203-H207 PolarHBondContact O-CD2 3.06Å; H203-H207 VanDerWaalsContact O-CD2 3.26Å; H203-H207 PolarHBondContact O-N 2.67Å; H203-F260 AromaticContact CE1-CE1 3.7Å; H203-F260 AromaticContact ND1-CD1 3.87Å; H203-F260 AromaticContact ND1-CE1 3.71Å; H203-T270 PolarHBondContact CD2-O 3.19Å; H203-T270 PolarHBondContact NE2-O 3.07Å; H203-F271 HydrophobicContact CB-CE1 3.84Å; H203-F271 HydrophobicContact CB-CZ 3.94Å |
| 204 | L | 91.5 | Very high | 83.6 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.1 | -47.8 | 177.2 | -179.2 | 64.9 | 0 | 0 | 0 | 112.1 | C200 N201 H206 H207 Y208 L252 Q253 F260 V310 P330 Y331 | C200-L204 WeakPolarHBondContact O-CB 3.32Å; C200-L204 PolarHBondContact O-N 3.38Å; N201-L204 PolarHBondContact O-N 2.82Å; L204-H206 VanDerWaalsContact C-N 3.28Å; L204-H206 PolarHBondContact O-N 2.93Å; L204-H207 PolarHBondContact O-N 3.44Å; L204-Y208 HydrophobicContact CD1-CD2 4.01Å; L204-Y208 HydrophobicContact CD1-CE2 3.53Å; L204-Y208 HydrophobicContact CD2-CE2 4.15Å; L204-Y208 HydrophobicContact CG-CD2 3.86Å; L204-Y208 HydrophobicContact CG-CE2 3.64Å; L204-Y208 WeakPolarHBondContact O-CD2 3.18Å; L204-Y208 PolarHBondContact O-N 3.39Å; L204-Y208 VanDerWaalsContact O-N 3.08Å; L204-L252 HydrophobicContact CD1-CB 4.15Å; L204-L252 HydrophobicContact CD1-CD1 4.35Å; L204-Q253 HydrophobicContact CD1-CG 4.24Å; L204-F260 HydrophobicContact CD1-CD1 3.74Å; L204-F260 HydrophobicContact CD1-CE1 4.01Å; L204-F260 HydrophobicContact CD1-CG 4.23Å; L204-V310 HydrophobicContact CD2-CG1 4.44Å; L204-P330 HydrophobicContact CD2-CB 3.61Å; L204-P330 HydrophobicContact CD2-CG 3.96Å; L204-Y331 HydrophobicContact CB-CE2 4.04Å; L204-Y331 HydrophobicContact CD2-CE2 4.01Å |
| 205 | L | 90.9 | Very high | 82.4 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.8 | -34.7 | 178.3 | -89.4 | 66.2 | 0 | 0 | 0 | 111.9 | N117 L119 N201 T202 H203 H207 Y208 S209 Y230 A233 L234 I237 | N117-L205 HydrophobicContact CB-CB 3.94Å; L119-L205 HydrophobicContact CD1-CB 4.38Å; L119-L205 HydrophobicContact CD1-CD2 4.09Å; L119-L205 HydrophobicContact CD1-CG 4.36Å; N201-L205 WeakPolarHBondContact O-CD1 3.34Å; N201-L205 PolarHBondContact O-N 2.51Å; T202-L205 PolarHBondContact O-N 2.94Å; H203-L205 PolarHBondContact O-N 3.19Å; L205-H207 PolarHBondContact O-N 3.38Å; L205-Y208 PolarHBondContact O-N 3.24Å; L205-S209 WeakPolarHBondContact O-CB 3.3Å; L205-S209 PolarHBondContact O-N 3.48Å; L205-S209 PolarHBondContact O-OG 3.48Å; L205-Y230 HydrophobicContact CD1-CE2 3.87Å; L205-Y230 HydrophobicContact CD2-CD2 3.55Å; L205-Y230 HydrophobicContact CD2-CE2 3.65Å; L205-Y230 HydrophobicContact CG-CE2 4.45Å; L205-A233 HydrophobicContact CD2-CB 4.1Å; L205-L234 HydrophobicContact CD1-CD2 4.16Å; L205-I237 HydrophobicContact CD1-CD1 4.48Å; L205-I237 HydrophobicContact CG-CD1 4.25Å |
| 206 | H | 87.8 | Confident | 80.9 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -57.8 | -45.7 | 172.9 | 170.2 | 54.5 | 0 | 0 | 0 | 112.3 | L21 N117 T202 H203 L204 S209 Q210 F271 F272 | L21-H206 VanDerWaalsContact CB-CE1 3.45Å; L21-H206 WeakPolarHBondContact CB-CE1 3.32Å; N117-H206 VanDerWaalsContact O-CA 3.28Å; N117-H206 WeakPolarHBondContact O-CA 3.24Å; T202-H206 WeakPolarHBondContact O-CB 3.33Å; T202-H206 PolarHBondContact O-N 3.34Å; H203-H206 WeakPolarHBondContact O-CB 3.19Å; H203-H206 PolarHBondContact O-N 3.39Å; L204-H206 VanDerWaalsContact C-N 3.28Å; L204-H206 PolarHBondContact O-N 2.93Å; H206-S209 PolarHBondContact O-N 3.28Å; H206-S209 PolarHBondContact O-OG 3.28Å; H206-Q210 PolarHBondContact CE1-NE2 3.2Å; H206-Q210 WeakPolarHBondContact O-CG 3.45Å; H206-Q210 PolarHBondContact O-NE2 3.03Å; H206-Q210 VanDerWaalsContact O-NE2 3.15Å; H206-F271 HydrophobicContact CB-CD1 4.34Å; H206-F272 AromaticContact CE1-CD1 3.32Å; H206-F272 WeakPolarHBondContact CE1-CD1 3.23Å; H206-F272 AromaticContact CE1-CE1 3.72Å; H206-F272 AromaticContact ND1-CD1 3.9Å; H206-F272 AromaticContact ND1-CE1 3.83Å; H206-F272 AromaticContact NE2-CD1 3.43Å; H206-F272 WeakPolarHBondContact NE2-CD1 3.39Å; H206-F272 PolarHBondContact NE2-N 3.23Å |
| 207 | H | 86.3 | Confident | 79.5 | Confident | 12 Ų | 12 | 14.8 Ų | 14.8 | 6% | 0.056 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -69.9 | -37.4 | 178.9 | -79.2 | -86.6 | 0 | 0 | 0 | 112.3 | H203 L204 L205 S209 Q210 L252 F260 K273 | H203-H207 AromaticContact CD2-NE2 3.98Å; H203-H207 AromaticContact CE1-CD2 3.46Å; H203-H207 PolarHBondContact CE1-CD2 2.88Å; H203-H207 VanDerWaalsContact CE1-CD2 3.46Å; H203-H207 AromaticContact CE1-NE2 3.39Å; H203-H207 PolarHBondContact CE1-NE2 3.37Å; H203-H207 AromaticContact ND1-CD2 3.92Å; H203-H207 AromaticContact NE2-CD2 3.61Å; H203-H207 AromaticContact NE2-NE2 3.2Å; H203-H207 PolarHBondContact NE2-NE2 3.08Å; H203-H207 VanDerWaalsContact NE2-NE2 3.2Å; H203-H207 PolarHBondContact O-CD2 3.06Å; H203-H207 VanDerWaalsContact O-CD2 3.26Å; H203-H207 PolarHBondContact O-N 2.67Å; L204-H207 PolarHBondContact O-N 3.44Å; L205-H207 PolarHBondContact O-N 3.38Å; H207-S209 VanDerWaalsContact C-N 3.35Å; H207-Q210 PolarHBondContact O-N 3.48Å; H207-L252 HydrophobicContact CB-CD1 3.75Å; H207-F260 HydrophobicContact CB-CE1 4.11Å; H207-F260 HydrophobicContact CB-CZ 3.91Å; H207-F260 AromaticContact CD2-CE1 3.74Å; H207-F260 AromaticContact CD2-CZ 3.95Å; H207-F260 AromaticContact CG-CE1 3.92Å; H207-F260 AromaticContact CG-CZ 3.72Å; H207-K273 PolarHBondContact CE1-O 3.15Å |
| 208 | Y | 88.6 | Confident | 78.2 | Confident | 1 Ų | 1 | 13.5 Ų | 13.5 | 0% | 0.004 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.2 | -42.2 | 173.3 | -84.7 | -53.5 | 0 | 0 | 0 | 111.7 | L204 L205 Q210 V211 L214 I237 Q241 L249 P250 L252 V310 | L204-Y208 HydrophobicContact CD1-CD2 4.01Å; L204-Y208 HydrophobicContact CD1-CE2 3.53Å; L204-Y208 HydrophobicContact CD2-CE2 4.15Å; L204-Y208 HydrophobicContact CG-CD2 3.86Å; L204-Y208 HydrophobicContact CG-CE2 3.64Å; L204-Y208 WeakPolarHBondContact O-CD2 3.18Å; L204-Y208 PolarHBondContact O-N 3.39Å; L204-Y208 VanDerWaalsContact O-N 3.08Å; L205-Y208 PolarHBondContact O-N 3.24Å; Y208-Q210 PolarHBondContact O-N 2.92Å; Y208-Q210 VanDerWaalsContact O-N 3.13Å; Y208-V211 PolarHBondContact O-N 3.32Å; Y208-L214 WeakPolarHBondContact O-CD1 3.38Å; Y208-I237 HydrophobicContact CD1-CG2 4.08Å; Y208-I237 HydrophobicContact CD2-CD1 3.8Å; Y208-I237 HydrophobicContact CD2-CG1 4.4Å; Y208-I237 HydrophobicContact CD2-CG2 4.02Å; Y208-I237 HydrophobicContact CE1-CG2 3.95Å; Y208-I237 HydrophobicContact CE2-CG2 3.86Å; Y208-I237 HydrophobicContact CG-CD1 4.01Å; Y208-I237 HydrophobicContact CG-CG1 4.25Å; Y208-I237 HydrophobicContact CG-CG2 4.15Å; Y208-Q241 PolarHBondContact OH-NE2 2.91Å; Y208-L249 HydrophobicContact CD1-CD1 3.96Å; Y208-L249 HydrophobicContact CE1-CD1 4.41Å; Y208-P250 WeakPolarHBondContact CE1-O 3.19Å; Y208-P250 PolarHBondContact OH-O 2.72Å; Y208-L252 HydrophobicContact CD1-CD1 3.73Å; Y208-L252 HydrophobicContact CD1-CG 4.12Å; Y208-L252 HydrophobicContact CD2-CD1 4.11Å; Y208-L252 HydrophobicContact CE1-CB 4.31Å; Y208-L252 HydrophobicContact CE1-CD1 3.65Å; Y208-L252 HydrophobicContact CE1-CG 3.54Å; Y208-L252 HydrophobicContact CE2-CB 4.48Å; Y208-L252 HydrophobicContact CE2-CD1 4.05Å; Y208-L252 HydrophobicContact CE2-CG 4.36Å; Y208-L252 HydrophobicContact CG-CD1 3.94Å; Y208-L252 PolarHBondContact OH-N 3.45Å; Y208-V310 HydrophobicContact CE2-CG1 3.8Å |
| 209 | S | 83.8 | Confident | 76.6 | Confident | 16 Ų | 16 | 12.9 Ų | 12.9 | 11% | 0.112 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.3 | -15.6 | -176.8 | 68.7 | 0 | 0 | 0 | 0 | 114.9 | N117 L205 H206 H207 V211 | N117-S209 VanDerWaalsContact O-CB 3.23Å; N117-S209 WeakPolarHBondContact O-CB 3.35Å; N117-S209 PolarHBondContact O-OG 2.93Å; L205-S209 WeakPolarHBondContact O-CB 3.3Å; L205-S209 PolarHBondContact O-N 3.48Å; L205-S209 PolarHBondContact O-OG 3.48Å; H206-S209 PolarHBondContact O-N 3.28Å; H206-S209 PolarHBondContact O-OG 3.28Å; H207-S209 VanDerWaalsContact C-N 3.35Å; S209-V211 PolarHBondContact O-N 3.49Å |
| 210 | Q | 76.9 | Confident | 75.1 | Confident | 62 Ų | 62 | 12.8 Ų | 12.8 | 29% | 0.29 | 8% | 0.077 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -13.6 | 174.4 | -53.4 | -46 | -62.8 | 0 | 0 | 112.5 | T22 H206 H207 Y208 | T22-Q210 HydrophobicContact CG2-CB 4.2Å; T22-Q210 HydrophobicContact CG2-CG 3.62Å; T22-Q210 VanDerWaalsContact CG2-OE1 3.31Å; H206-Q210 PolarHBondContact CE1-NE2 3.2Å; H206-Q210 WeakPolarHBondContact O-CG 3.45Å; H206-Q210 PolarHBondContact O-NE2 3.03Å; H206-Q210 VanDerWaalsContact O-NE2 3.15Å; H207-Q210 PolarHBondContact O-N 3.48Å; Y208-Q210 PolarHBondContact O-N 2.92Å; Y208-Q210 VanDerWaalsContact O-N 3.13Å |
| 211 | V | 70 | Confident | 73.7 | Confident | 53 Ų | 53 | 15.9 Ų | 15.9 | 32% | 0.321 | 9% | 0.092 | S | C | . | . | S | Bend | trans | -84.5 | 128 | 173.6 | -170.6 | 0 | 0 | 0 | 0 | 109.8 | Y208 S209 S213 L214 L249 | Y208-V211 PolarHBondContact O-N 3.32Å; S209-V211 PolarHBondContact O-N 3.49Å; V211-S213 PolarHBondContact O-N 3.23Å; V211-L214 PolarHBondContact O-N 2.99Å; V211-L249 HydrophobicContact CB-CD2 3.57Å; V211-L249 HydrophobicContact CG1-CD2 3.55Å; V211-L249 HydrophobicContact CG2-CD2 3.65Å |
| 212 | S | 60.1 | Low | 71.7 | Confident | 24 Ų | 24 | 18 Ų | 18 | 17% | 0.168 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -53.5 | -26.9 | -172.3 | 52.3 | 0 | 0 | 0 | 0 | 115.6 | L10 T11 L214 K215 | L10-S212 WeakPolarHBondContact O-CB 3.42Å; T11-S212 WeakPolarHBondContact CG2-OG 3.49Å; S212-L214 VanDerWaalsContact C-N 3.29Å; S212-L214 PolarHBondContact O-N 3.19Å; S212-K215 VanDerWaalsContact O-CD 3.31Å; S212-K215 WeakPolarHBondContact O-CD 3.2Å; S212-K215 WeakPolarHBondContact O-CG 2.92Å; S212-K215 PolarHBondContact O-N 2.85Å |
| 213 | S | 58.1 | Low | 69.9 | Low | 4 Ų | 4 | 18 Ų | 18 | 3% | 0.028 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -72.4 | -15 | -179.6 | 52.2 | 0 | 0 | 0 | 0 | 114.5 | V211 K215 V248 | V211-S213 PolarHBondContact O-N 3.23Å; S213-K215 PolarHBondContact O-N 2.94Å; S213-V248 WeakPolarHBondContact OG-CG1 3.39Å |
| 214 | L | 60.2 | Low | 68.3 | Low | 3 Ų | 3 | 19.8 Ų | 19.8 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -82.6 | 5.1 | 176.5 | -71.2 | -175.1 | 0 | 0 | 0 | 115 | L119 Y208 V211 S212 L216 T217 L236 I237 L240 L249 | L119-L214 HydrophobicContact CD2-CB 4.34Å; Y208-L214 WeakPolarHBondContact O-CD1 3.38Å; V211-L214 PolarHBondContact O-N 2.99Å; S212-L214 VanDerWaalsContact C-N 3.29Å; S212-L214 PolarHBondContact O-N 3.19Å; L214-L216 PolarHBondContact O-N 3.23Å; L214-T217 WeakPolarHBondContact O-CG2 3.49Å; L214-T217 PolarHBondContact O-N 3.49Å; L214-T217 VanDerWaalsContact O-N 3.13Å; L214-T217 PolarHBondContact O-OG1 3.4Å; L214-L236 HydrophobicContact CD2-CD2 3.48Å; L214-L236 VanDerWaalsContact CD2-CD2 3.48Å; L214-L236 HydrophobicContact CD2-CG 3.67Å; L214-I237 HydrophobicContact CD1-CD1 4.48Å; L214-I237 HydrophobicContact CD1-CG1 3.96Å; L214-I237 HydrophobicContact CD2-CG1 3.95Å; L214-L240 HydrophobicContact CD2-CD1 3.62Å; L214-L240 HydrophobicContact CG-CD1 4.37Å; L214-L249 HydrophobicContact CD1-CD1 4.18Å; L214-L249 HydrophobicContact CD2-CD1 4.08Å; L214-L249 HydrophobicContact CG-CD1 4.18Å |
| 215 | K | 63.3 | Low | 66.9 | Low | 23 Ų | 23 | 23.9 Ų | 23.9 | 10% | 0.1 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -57.1 | -15.1 | 167.8 | -67.3 | 176 | -178.3 | 176.9 | 0 | 113.1 | L10 E13 Y75 S212 S213 T217 | L10-K215 PolarHBondContact O-NZ 3.19Å; E13-K215 IonicContact OE2-NZ 3.65Å; E13-K215 PolarHBondContact OE2-NZ 3.03Å; Y75-K215 HydrophobicContact CD1-CB 4.14Å; Y75-K215 HydrophobicContact CD1-CD 3.88Å; Y75-K215 HydrophobicContact CD1-CG 3.77Å; Y75-K215 HydrophobicContact CD2-CB 3.66Å; Y75-K215 HydrophobicContact CD2-CG 3.88Å; Y75-K215 WeakPolarHBondContact CD2-O 3.48Å; Y75-K215 HydrophobicContact CE1-CB 4.49Å; Y75-K215 HydrophobicContact CE1-CD 3.96Å; Y75-K215 HydrophobicContact CE1-CG 3.71Å; Y75-K215 HydrophobicContact CE2-CB 4.03Å; Y75-K215 HydrophobicContact CE2-CG 3.81Å; Y75-K215 HydrophobicContact CG-CB 3.71Å; Y75-K215 HydrophobicContact CG-CD 4.32Å; Y75-K215 HydrophobicContact CG-CG 3.85Å; S212-K215 VanDerWaalsContact O-CD 3.31Å; S212-K215 WeakPolarHBondContact O-CD 3.2Å; S212-K215 WeakPolarHBondContact O-CG 2.92Å; S212-K215 PolarHBondContact O-N 2.85Å; S213-K215 PolarHBondContact O-N 2.94Å; K215-T217 VanDerWaalsContact C-N 3.3Å; K215-T217 PolarHBondContact O-N 2.98Å |
| 216 | L | 58.1 | Low | 66.1 | Low | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -72.1 | -12.5 | 175.4 | -59.8 | 177.9 | 0 | 0 | 0 | 114.8 | I71 L214 G218 I219 C220 L236 V287 L290 L291 | I71-L216 HydrophobicContact CD1-CD2 4.16Å; I71-L216 HydrophobicContact CG2-CD2 3.54Å; L214-L216 PolarHBondContact O-N 3.23Å; L216-G218 PolarHBondContact O-N 3.17Å; L216-I219 HydrophobicContact CD2-CD1 4.16Å; L216-I219 WeakPolarHBondContact O-CB 2.86Å; L216-I219 PolarHBondContact O-N 3.18Å; L216-I219 VanDerWaalsContact O-N 3.15Å; L216-C220 PolarHBondContact O-N 2.85Å; L216-L236 HydrophobicContact CB-CD1 4.2Å; L216-L236 HydrophobicContact CB-CD2 3.72Å; L216-L236 HydrophobicContact CD1-CD1 3.93Å; L216-V287 HydrophobicContact CD2-CB 4.33Å; L216-L290 HydrophobicContact CD1-CB 4.25Å; L216-L291 HydrophobicContact CD1-CB 4.38Å; L216-L291 HydrophobicContact CD2-CB 4.07Å; L216-L291 HydrophobicContact CD2-CD1 4.28Å |
| 217 | T | 58.4 | Low | 65.8 | Low | 14 Ų | 14 | 27.5 Ų | 27.5 | 9% | 0.086 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.3 | -39 | -172.4 | 47.5 | 0 | 0 | 0 | 0 | 114.9 | L119 L214 K215 I219 C220 D221 A233 L236 | L119-T217 HydrophobicContact CD1-CG2 3.96Å; L119-T217 HydrophobicContact CD2-CG2 3.69Å; L119-T217 WeakPolarHBondContact CD2-OG1 3.11Å; L119-T217 HydrophobicContact CG-CG2 4.25Å; L214-T217 WeakPolarHBondContact O-CG2 3.49Å; L214-T217 PolarHBondContact O-N 3.49Å; L214-T217 VanDerWaalsContact O-N 3.13Å; L214-T217 PolarHBondContact O-OG1 3.4Å; K215-T217 VanDerWaalsContact C-N 3.3Å; K215-T217 PolarHBondContact O-N 2.98Å; T217-I219 PolarHBondContact O-N 3.22Å; T217-C220 PolarHBondContact O-N 2.88Å; T217-D221 PolarHBondContact O-N 3.29Å; T217-D221 VanDerWaalsContact O-N 3.15Å; T217-A233 HydrophobicContact CG2-CB 4.41Å; T217-L236 HydrophobicContact CG2-CD2 3.59Å |
| 218 | G | 61.7 | Low | 65.6 | Low | 22 Ų | 22 | 29.4 Ų | 29.4 | 23% | 0.227 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.7 | -29.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | L216 S222 | L216-G218 PolarHBondContact O-N 3.17Å; G218-S222 PolarHBondContact O-N 3.1Å |
| 219 | I | 58 | Low | 65.4 | Low | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.9 | -49.9 | 177.3 | -63.8 | 172.4 | 0 | 0 | 0 | 109 | I71 F74 L216 T217 D221 S222 V223 L291 L366 M369 | I71-I219 HydrophobicContact CB-CD1 4.01Å; I71-I219 HydrophobicContact CG1-CD1 3.72Å; I71-I219 HydrophobicContact CG2-CD1 3.7Å; F74-I219 HydrophobicContact CD1-CD1 4.27Å; F74-I219 HydrophobicContact CD1-CG1 3.43Å; F74-I219 VanDerWaalsContact CD1-CG1 3.43Å; F74-I219 HydrophobicContact CE1-CB 4.4Å; F74-I219 HydrophobicContact CE1-CG1 3.62Å; F74-I219 HydrophobicContact CG-CG1 4.34Å; L216-I219 HydrophobicContact CD2-CD1 4.16Å; L216-I219 WeakPolarHBondContact O-CB 2.86Å; L216-I219 PolarHBondContact O-N 3.18Å; L216-I219 VanDerWaalsContact O-N 3.15Å; T217-I219 PolarHBondContact O-N 3.22Å; I219-D221 VanDerWaalsContact C-N 3.28Å; I219-D221 PolarHBondContact O-N 3.17Å; I219-S222 PolarHBondContact O-N 3.41Å; I219-S222 PolarHBondContact O-OG 3.41Å; I219-V223 WeakPolarHBondContact O-CB 3.12Å; I219-V223 WeakPolarHBondContact O-CG2 3.22Å; I219-L291 HydrophobicContact CD1-CD2 4.37Å; I219-L291 HydrophobicContact CG2-CD1 4.41Å; I219-L291 HydrophobicContact CG2-CD2 4.36Å; I219-L366 HydrophobicContact CD1-CD1 3.87Å; I219-L366 HydrophobicContact CD1-CD2 4.06Å; I219-L366 HydrophobicContact CG1-CD1 4.3Å; I219-L366 HydrophobicContact CG1-CD2 4.26Å; I219-L366 HydrophobicContact CG2-CD1 3.78Å; I219-M369 HydrophobicContact CG2-CE 3.41Å; I219-M369 VanDerWaalsContact CG2-CE 3.41Å; I219-M369 HydrophobicContact CG2-SD 4.36Å |
| 220 | C | 59.4 | Low | 65.6 | Low | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.7 | -30.1 | 179.9 | -61.4 | 0 | 0 | 0 | 0 | 113.5 | L216 T217 V223 W232 | L216-C220 PolarHBondContact O-N 2.85Å; T217-C220 PolarHBondContact O-N 2.88Å; C220-V223 WeakPolarHBondContact O-CB 3.37Å; C220-W232 HydrophobicContact CB-CB 3.78Å; C220-W232 HydrophobicContact CB-CD2 3.83Å; C220-W232 HydrophobicContact CB-CE3 3.79Å; C220-W232 HydrophobicContact CB-CG 3.88Å; C220-W232 PolarHBondContact O-NE1 2.96Å |
| 221 | D | 60.1 | Low | 66.2 | Low | 76 Ų | 76 | 30.6 Ų | 30.6 | 41% | 0.406 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -68.6 | -43.7 | 175.9 | -171.7 | 35.2 | 0 | 0 | 0 | 112.5 | T217 I219 V223 S229 | T217-D221 PolarHBondContact O-N 3.29Å; T217-D221 VanDerWaalsContact O-N 3.15Å; I219-D221 VanDerWaalsContact C-N 3.28Å; I219-D221 PolarHBondContact O-N 3.17Å; D221-V223 PolarHBondContact O-N 2.58Å; D221-S229 VanDerWaalsContact OD1-CB 3.24Å; D221-S229 WeakPolarHBondContact OD1-CB 2.88Å |
| 222 | S | 51.4 | Low | 67.2 | Low | 58 Ų | 58 | 28.2 Ų | 28.2 | 41% | 0.406 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -8.1 | 179.9 | 69.5 | 0 | 0 | 0 | 0 | 114.5 | G218 I219 Y370 | G218-S222 PolarHBondContact O-N 3.1Å; I219-S222 PolarHBondContact O-N 3.41Å; I219-S222 PolarHBondContact O-OG 3.41Å; S222-Y370 PolarHBondContact OG-OH 3.16Å |
| 223 | V | 52.8 | Low | 68.6 | Low | 8 Ų | 8 | 27.2 Ų | 27.2 | 5% | 0.048 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -30.7 | -158.4 | 142.4 | 0 | 0 | 0 | 0 | 113.5 | I219 C220 D221 W232 Y352 M369 Y370 | I219-V223 WeakPolarHBondContact O-CB 3.12Å; I219-V223 WeakPolarHBondContact O-CG2 3.22Å; C220-V223 WeakPolarHBondContact O-CB 3.37Å; D221-V223 PolarHBondContact O-N 2.58Å; V223-W232 HydrophobicContact CG1-CH2 4.09Å; V223-W232 HydrophobicContact CG1-CZ2 3.83Å; V223-Y352 HydrophobicContact CB-CE1 4.41Å; V223-Y352 HydrophobicContact CG1-CD1 4.05Å; V223-Y352 HydrophobicContact CG1-CE1 3.1Å; V223-Y352 HydrophobicContact CG1-CE2 4.29Å; V223-Y352 WeakPolarHBondContact CG1-OH 3.43Å; V223-Y352 WeakPolarHBondContact CG2-OH 3.46Å; V223-M369 HydrophobicContact CG2-CE 3.7Å; V223-Y370 HydrophobicContact CG2-CE1 3.88Å |
| 224 | N | 56.7 | Low | 70.4 | Confident | 39 Ų | 39 | 27 Ų | 27 | 21% | 0.209 | 18% | 0.176 | C | C | . | . | trans | -169.6 | 129.9 | 177.4 | -108.3 | -32.4 | 0 | 0 | 0 | 114.8 | Y226 | N224-Y226 HydrophobicContact CB-CD2 3.97Å; N224-Y226 PolarHBondContact O-N 3.44Å | ||
| 225 | G | 61.9 | Low | 72 | Confident | 86 Ų | 86 | 26.9 Ų | 26.9 | 89% | 0.887 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | 17 | 178 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 226 | Y | 74 | Confident | 73.4 | Confident | 65 Ų | 65 | 25.9 Ų | 25.9 | 26% | 0.255 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -36 | -179.3 | -66.1 | -68.2 | 0 | 0 | 0 | 113.4 | N224 S339 L340 R345 V348 | N224-Y226 HydrophobicContact CB-CD2 3.97Å; N224-Y226 PolarHBondContact O-N 3.44Å; Y226-S339 VanDerWaalsContact O-CB 3.27Å; Y226-S339 WeakPolarHBondContact O-CB 3.24Å; Y226-S339 PolarHBondContact O-OG 3.01Å; Y226-L340 HydrophobicContact CD1-CD2 4.28Å; Y226-L340 HydrophobicContact CG-CD2 4.22Å; Y226-R345 HydrophobicContact CD1-CB 3.82Å; Y226-R345 HydrophobicContact CD1-CG 3.98Å; Y226-R345 HydrophobicContact CE1-CB 3.97Å; Y226-R345 HydrophobicContact CE1-CG 3.84Å; Y226-V348 HydrophobicContact CE2-CB 4.46Å; Y226-V348 HydrophobicContact CE2-CG1 3.71Å |
| 227 | L | 81.4 | Confident | 75.1 | Confident | 11 Ų | 11 | 25.9 Ų | 25.9 | 6% | 0.058 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -109 | 151.1 | 174.4 | -76.3 | 179.5 | 0 | 0 | 0 | 109.3 | W232 L235 A337 L340 F349 | L227-W232 HydrophobicContact CB-CG 4.44Å; L227-W232 HydrophobicContact CD1-CD2 4.36Å; L227-L235 HydrophobicContact CD1-CD1 3.75Å; L227-A337 HydrophobicContact CD2-CB 4.13Å; L227-L340 HydrophobicContact CD1-CD1 4.25Å; L227-L340 HydrophobicContact CD2-CD1 3.6Å; L227-L340 HydrophobicContact CD2-CG 4.04Å; L227-L340 HydrophobicContact CG-CD1 3.69Å; L227-L340 HydrophobicContact CG-CG 4.34Å; L227-F349 HydrophobicContact CD1-CD2 4.28Å; L227-F349 HydrophobicContact CD1-CE2 3.61Å; L227-F349 HydrophobicContact CD1-CZ 4Å; L227-F349 HydrophobicContact CG-CE2 4.45Å |
| 228 | S | 83.3 | Confident | 76.9 | Confident | 52 Ų | 52 | 25.2 Ų | 25.2 | 36% | 0.364 | 17% | 0.166 | S | C | . | . | trans | -71.9 | 155.1 | 170.1 | 72.2 | 0 | 0 | 0 | 0 | 110.6 | Y230 S231 W232 | S228-Y230 PolarHBondContact O-N 2.81Å; S228-S231 PolarHBondContact O-N 3.37Å; S228-S231 PolarHBondContact OG-N 2.69Å; S228-S231 PolarHBondContact OG-OG 2.86Å; S228-W232 PolarHBondContact O-N 2.96Å | ||
| 229 | S | 83.1 | Confident | 78.5 | Confident | 59 Ų | 59 | 24.2 Ų | 24.2 | 41% | 0.413 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -50.6 | -38.6 | 170.7 | 57.8 | 0 | 0 | 0 | 0 | 112.1 | D221 W232 A233 | D221-S229 VanDerWaalsContact OD1-CB 3.24Å; D221-S229 WeakPolarHBondContact OD1-CB 2.88Å; S229-W232 PolarHBondContact O-N 2.94Å; S229-A233 PolarHBondContact O-N 3.02Å |
| 230 | Y | 89 | Confident | 80.2 | Confident | 45 Ų | 45 | 24.2 Ų | 24.2 | 18% | 0.176 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63 | -47.6 | 175.5 | 175 | -107.3 | 0 | 0 | 0 | 112.7 | N201 L205 S228 W232 A233 L234 E329 P330 | N201-Y230 HydrophobicContact CB-CE2 4.22Å; N201-Y230 PolarHBondContact ND2-OH 2.53Å; N201-Y230 PolarHBondContact OD1-OH 2.85Å; L205-Y230 HydrophobicContact CD1-CE2 3.87Å; L205-Y230 HydrophobicContact CD2-CD2 3.55Å; L205-Y230 HydrophobicContact CD2-CE2 3.65Å; L205-Y230 HydrophobicContact CG-CE2 4.45Å; S228-Y230 PolarHBondContact O-N 2.81Å; Y230-W232 VanDerWaalsContact C-N 3.3Å; Y230-W232 PolarHBondContact O-N 2.92Å; Y230-A233 WeakPolarHBondContact O-CB 3.45Å; Y230-A233 PolarHBondContact O-N 2.6Å; Y230-A233 VanDerWaalsContact O-N 3.13Å; Y230-L234 HydrophobicContact CD1-CD1 4.42Å; Y230-L234 HydrophobicContact CE1-CD1 3.68Å; Y230-L234 HydrophobicContact CE1-CG 4.23Å; Y230-L234 HydrophobicContact CE2-CD1 4.48Å; Y230-L234 HydrophobicContact CE2-CD2 4.21Å; Y230-L234 HydrophobicContact CE2-CG 4.28Å; Y230-L234 PolarHBondContact O-N 3.44Å; Y230-E329 WeakPolarHBondContact CE1-OE1 3.19Å; Y230-E329 WeakPolarHBondContact CE1-OE2 3.43Å; Y230-E329 VanDerWaalsContact CZ-OE2 3.26Å; Y230-E329 PolarHBondContact OH-OE2 2.78Å; Y230-P330 VanDerWaalsContact OH-CD 3.32Å; Y230-P330 WeakPolarHBondContact OH-CD 3.49Å |
| 231 | S | 90.3 | Very high | 81.9 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.007 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.5 | -38.5 | 177.8 | -51.2 | 0 | 0 | 0 | 0 | 111.7 | S228 L234 L235 | S228-S231 PolarHBondContact O-N 3.37Å; S228-S231 PolarHBondContact OG-N 2.69Å; S228-S231 PolarHBondContact OG-OG 2.86Å; S231-L234 PolarHBondContact O-N 3.15Å; S231-L235 WeakPolarHBondContact O-CG 3.42Å; S231-L235 PolarHBondContact O-N 3.33Å |
| 232 | W | 89.6 | Confident | 83.6 | Confident | 3 Ų | 3 | 23.3 Ų | 23.3 | 1% | 0.011 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.5 | -41.1 | 172.7 | -82.1 | 117.2 | 0 | 0 | 0 | 113 | C220 V223 L227 S228 S229 Y230 L234 L235 L236 F294 F349 I353 | C220-W232 HydrophobicContact CB-CB 3.78Å; C220-W232 HydrophobicContact CB-CD2 3.83Å; C220-W232 HydrophobicContact CB-CE3 3.79Å; C220-W232 HydrophobicContact CB-CG 3.88Å; C220-W232 PolarHBondContact O-NE1 2.96Å; V223-W232 HydrophobicContact CG1-CH2 4.09Å; V223-W232 HydrophobicContact CG1-CZ2 3.83Å; L227-W232 HydrophobicContact CB-CG 4.44Å; L227-W232 HydrophobicContact CD1-CD2 4.36Å; S228-W232 PolarHBondContact O-N 2.96Å; S229-W232 PolarHBondContact O-N 2.94Å; Y230-W232 VanDerWaalsContact C-N 3.3Å; Y230-W232 PolarHBondContact O-N 2.92Å; W232-L234 VanDerWaalsContact C-N 3.3Å; W232-L234 PolarHBondContact O-N 3.45Å; W232-L235 HydrophobicContact CE3-CD1 3.91Å; W232-L235 HydrophobicContact CZ3-CD1 4.18Å; W232-L235 PolarHBondContact O-N 3.2Å; W232-L236 PolarHBondContact O-N 2.81Å; W232-F294 HydrophobicContact CE3-CE1 4.31Å; W232-F294 AromaticContact CE3-CZ 3.89Å; W232-F294 HydrophobicContact CE3-CZ 3.89Å; W232-F294 AromaticContact CZ3-CE1 3.76Å; W232-F294 HydrophobicContact CZ3-CE1 3.76Å; W232-F294 AromaticContact CZ3-CZ 3.7Å; W232-F294 HydrophobicContact CZ3-CZ 3.7Å; W232-F349 HydrophobicContact CH2-CD2 4.43Å; W232-F349 AromaticContact CH2-CE2 3.61Å; W232-F349 HydrophobicContact CH2-CE2 3.61Å; W232-F349 HydrophobicContact CH2-CZ 4.46Å; W232-F349 HydrophobicContact CZ2-CD2 4.36Å; W232-F349 AromaticContact CZ2-CE2 3.83Å; W232-F349 HydrophobicContact CZ2-CE2 3.83Å; W232-F349 HydrophobicContact CZ3-CE2 4.27Å; W232-I353 HydrophobicContact CH2-CD1 3.56Å; W232-I353 HydrophobicContact CZ3-CD1 3.87Å |
| 233 | A | 90.9 | Very high | 85.7 | Confident | 3 Ų | 3 | 21.6 Ų | 21.6 | 3% | 0.025 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.6 | -41.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L119 L205 T217 S229 Y230 L236 I237 | L119-A233 HydrophobicContact CD1-CB 3.79Å; L205-A233 HydrophobicContact CD2-CB 4.1Å; T217-A233 HydrophobicContact CG2-CB 4.41Å; S229-A233 PolarHBondContact O-N 3.02Å; Y230-A233 WeakPolarHBondContact O-CB 3.45Å; Y230-A233 PolarHBondContact O-N 2.6Å; Y230-A233 VanDerWaalsContact O-N 3.13Å; A233-L236 PolarHBondContact O-N 3.14Å; A233-I237 WeakPolarHBondContact O-CD1 3.34Å; A233-I237 VanDerWaalsContact O-CG1 3.24Å; A233-I237 WeakPolarHBondContact O-CG1 3.36Å; A233-I237 PolarHBondContact O-N 3.2Å |
| 234 | L | 94 | Very high | 87.6 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.9 | -41.9 | 176.1 | -64.8 | -174.5 | 0 | 0 | 0 | 112.8 | L205 Y230 S231 W232 L236 I237 H238 V310 I327 P330 T336 | L205-L234 HydrophobicContact CD1-CD2 4.16Å; Y230-L234 HydrophobicContact CD1-CD1 4.42Å; Y230-L234 HydrophobicContact CE1-CD1 3.68Å; Y230-L234 HydrophobicContact CE1-CG 4.23Å; Y230-L234 HydrophobicContact CE2-CD1 4.48Å; Y230-L234 HydrophobicContact CE2-CD2 4.21Å; Y230-L234 HydrophobicContact CE2-CG 4.28Å; Y230-L234 PolarHBondContact O-N 3.44Å; S231-L234 PolarHBondContact O-N 3.15Å; W232-L234 VanDerWaalsContact C-N 3.3Å; W232-L234 PolarHBondContact O-N 3.45Å; L234-L236 VanDerWaalsContact C-N 3.32Å; L234-L236 PolarHBondContact O-N 3Å; L234-I237 PolarHBondContact O-N 3.39Å; L234-H238 WeakPolarHBondContact O-CB 3.18Å; L234-H238 PolarHBondContact O-N 2.84Å; L234-V310 HydrophobicContact CB-CG2 4.2Å; L234-V310 HydrophobicContact CD2-CB 4.42Å; L234-V310 HydrophobicContact CD2-CG2 3.97Å; L234-V310 WeakPolarHBondContact O-CG2 3.19Å; L234-I327 HydrophobicContact CB-CG2 3.87Å; L234-I327 HydrophobicContact CD1-CG2 3.79Å; L234-P330 HydrophobicContact CD2-CG 3.91Å; L234-T336 HydrophobicContact CD1-CG2 3.9Å |
| 235 | L | 93.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.4 | -46.6 | 174.2 | -68.1 | -179.5 | 0 | 0 | 0 | 111 | L227 S231 W232 H238 F239 F294 Y298 I308 I327 F349 | L227-L235 HydrophobicContact CD1-CD1 3.75Å; S231-L235 WeakPolarHBondContact O-CG 3.42Å; S231-L235 PolarHBondContact O-N 3.33Å; W232-L235 HydrophobicContact CE3-CD1 3.91Å; W232-L235 HydrophobicContact CZ3-CD1 4.18Å; W232-L235 PolarHBondContact O-N 3.2Å; L235-H238 PolarHBondContact O-N 2.8Å; L235-F239 WeakPolarHBondContact O-CB 3.37Å; L235-F239 PolarHBondContact O-N 2.75Å; L235-F294 HydrophobicContact CB-CE2 4.03Å; L235-F294 HydrophobicContact CB-CZ 4.17Å; L235-Y298 HydrophobicContact CB-CE2 3.88Å; L235-Y298 HydrophobicContact CD2-CE1 3.83Å; L235-Y298 HydrophobicContact CD2-CE2 4.36Å; L235-Y298 PolarHBondContact O-OH 3.4Å; L235-I308 HydrophobicContact CD2-CD1 3.5Å; L235-I308 VanDerWaalsContact CD2-CD1 3.5Å; L235-I308 HydrophobicContact CD2-CG2 4.48Å; L235-I327 HydrophobicContact CD1-CD1 4.28Å; L235-I327 HydrophobicContact CD2-CD1 3.54Å; L235-I327 HydrophobicContact CD2-CG1 3.95Å; L235-I327 HydrophobicContact CG-CD1 3.81Å; L235-F349 HydrophobicContact CD1-CZ 4.33Å |
| 236 | L | 93 | Very high | 90.9 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.8 | -47.9 | -179.8 | 178.2 | 63.4 | 0 | 0 | 0 | 111.6 | L214 L216 T217 W232 A233 L234 H238 F239 L240 F294 | L214-L236 HydrophobicContact CD2-CD2 3.48Å; L214-L236 VanDerWaalsContact CD2-CD2 3.48Å; L214-L236 HydrophobicContact CD2-CG 3.67Å; L216-L236 HydrophobicContact CB-CD1 4.2Å; L216-L236 HydrophobicContact CB-CD2 3.72Å; L216-L236 HydrophobicContact CD1-CD1 3.93Å; T217-L236 HydrophobicContact CG2-CD2 3.59Å; W232-L236 PolarHBondContact O-N 2.81Å; A233-L236 PolarHBondContact O-N 3.14Å; L234-L236 VanDerWaalsContact C-N 3.32Å; L234-L236 PolarHBondContact O-N 3Å; L236-H238 VanDerWaalsContact C-N 3.34Å; L236-H238 PolarHBondContact O-N 3.35Å; L236-F239 HydrophobicContact CD1-CD1 4.48Å; L236-F239 PolarHBondContact O-N 3.07Å; L236-L240 HydrophobicContact CD1-CD1 4.04Å; L236-L240 HydrophobicContact CD1-CG 4.16Å; L236-L240 HydrophobicContact CG-CD1 4.07Å; L236-L240 VanDerWaalsContact O-CG 3.3Å; L236-L240 WeakPolarHBondContact O-CG 3.49Å; L236-L240 PolarHBondContact O-N 3.34Å; L236-F294 HydrophobicContact CB-CE2 4.27Å; L236-F294 HydrophobicContact CD1-CD2 4.1Å; L236-F294 HydrophobicContact CD1-CE2 4.45Å |
| 237 | I | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.4 | -48.3 | 179.2 | -69 | 162.1 | 0 | 0 | 0 | 110.2 | L205 Y208 L214 A233 L234 F239 L240 Q241 L249 V310 | L205-I237 HydrophobicContact CD1-CD1 4.48Å; L205-I237 HydrophobicContact CG-CD1 4.25Å; Y208-I237 HydrophobicContact CD1-CG2 4.08Å; Y208-I237 HydrophobicContact CD2-CD1 3.8Å; Y208-I237 HydrophobicContact CD2-CG1 4.4Å; Y208-I237 HydrophobicContact CD2-CG2 4.02Å; Y208-I237 HydrophobicContact CE1-CG2 3.95Å; Y208-I237 HydrophobicContact CE2-CG2 3.86Å; Y208-I237 HydrophobicContact CG-CD1 4.01Å; Y208-I237 HydrophobicContact CG-CG1 4.25Å; Y208-I237 HydrophobicContact CG-CG2 4.15Å; L214-I237 HydrophobicContact CD1-CD1 4.48Å; L214-I237 HydrophobicContact CD1-CG1 3.96Å; L214-I237 HydrophobicContact CD2-CG1 3.95Å; A233-I237 WeakPolarHBondContact O-CD1 3.34Å; A233-I237 VanDerWaalsContact O-CG1 3.24Å; A233-I237 WeakPolarHBondContact O-CG1 3.36Å; A233-I237 PolarHBondContact O-N 3.2Å; L234-I237 PolarHBondContact O-N 3.39Å; I237-F239 PolarHBondContact O-N 3.46Å; I237-L240 PolarHBondContact O-N 3.03Å; I237-Q241 HydrophobicContact CG2-CG 4.32Å; I237-Q241 VanDerWaalsContact O-CG 3.28Å; I237-Q241 WeakPolarHBondContact O-CG 3.4Å; I237-Q241 PolarHBondContact O-N 3.21Å; I237-L249 HydrophobicContact CB-CD1 4.45Å; I237-L249 HydrophobicContact CG1-CD1 4.38Å; I237-L249 HydrophobicContact CG2-CD1 4.19Å; I237-V310 HydrophobicContact CB-CG2 4.08Å; I237-V310 HydrophobicContact CG2-CB 4.41Å; I237-V310 HydrophobicContact CG2-CG1 3.63Å; I237-V310 HydrophobicContact CG2-CG2 3.93Å |
| 238 | H | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.6 | -46.2 | 178.5 | 169.2 | -86.5 | 0 | 0 | 0 | 112.6 | L234 L235 L236 L240 Q241 C242 Y297 Y298 I308 V310 L315 | L234-H238 WeakPolarHBondContact O-CB 3.18Å; L234-H238 PolarHBondContact O-N 2.84Å; L235-H238 PolarHBondContact O-N 2.8Å; L236-H238 VanDerWaalsContact C-N 3.34Å; L236-H238 PolarHBondContact O-N 3.35Å; H238-L240 VanDerWaalsContact C-N 3.25Å; H238-L240 PolarHBondContact O-N 3.42Å; H238-Q241 WeakPolarHBondContact O-CB 3.49Å; H238-Q241 PolarHBondContact O-N 3.44Å; H238-C242 PolarHBondContact CE1-SG 2.93Å; H238-C242 PolarHBondContact NE2-SG 3.4Å; H238-C242 PolarHBondContact O-N 2.88Å; H238-Y297 PolarHBondContact CE1-OH 3.21Å; H238-Y298 PolarHBondContact ND1-OH 3.26Å; H238-Y298 VanDerWaalsContact ND1-OH 3.11Å; H238-I308 HydrophobicContact CB-CG2 3.66Å; H238-I308 VanDerWaalsContact CG-CG2 3.49Å; H238-V310 HydrophobicContact CB-CG2 4.11Å; H238-L315 VanDerWaalsContact NE2-CD2 3.31Å; H238-L315 WeakPolarHBondContact NE2-CD2 3.4Å |
| 239 | F | 95.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 23 Ų | 23 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | I | π-helix | trans | -56.2 | -42.7 | 175.7 | 164.4 | -103.3 | 0 | 0 | 0 | 111.7 | L235 L236 I237 Q241 G243 T244 L290 N293 F294 Y297 Y298 | L235-F239 WeakPolarHBondContact O-CB 3.37Å; L235-F239 PolarHBondContact O-N 2.75Å; L236-F239 HydrophobicContact CD1-CD1 4.48Å; L236-F239 PolarHBondContact O-N 3.07Å; I237-F239 PolarHBondContact O-N 3.46Å; F239-Q241 VanDerWaalsContact C-N 3.28Å; F239-Q241 PolarHBondContact O-N 2.87Å; F239-G243 CarbonylContact O-C 3.44Å; F239-G243 WeakPolarHBondContact O-CA 3.38Å; F239-G243 PolarHBondContact O-N 3.4Å; F239-T244 HydrophobicContact CD1-CG2 4.39Å; F239-T244 HydrophobicContact CE1-CG2 3.7Å; F239-T244 HydrophobicContact CE2-CG2 3.83Å; F239-T244 HydrophobicContact CZ-CG2 3.37Å; F239-T244 PolarHBondContact O-N 2.95Å; F239-T244 VanDerWaalsContact O-N 3.16Å; F239-L290 HydrophobicContact CE1-CD2 4.47Å; F239-L290 WeakPolarHBondContact CE1-O 3.48Å; F239-N293 HydrophobicContact CE2-CB 4.23Å; F239-N293 WeakPolarHBondContact CE2-O 3.23Å; F239-N293 HydrophobicContact CZ-CB 3.73Å; F239-F294 HydrophobicContact CB-CD2 3.87Å; F239-F294 HydrophobicContact CB-CE2 4.44Å; F239-F294 HydrophobicContact CD1-CB 3.83Å; F239-F294 AromaticContact CD1-CD2 3.86Å; F239-F294 HydrophobicContact CD1-CD2 3.86Å; F239-F294 HydrophobicContact CD1-CG 4.36Å; F239-F294 HydrophobicContact CE1-CB 3.77Å; F239-F294 HydrophobicContact CE2-CB 4.5Å; F239-F294 HydrophobicContact CG-CB 4.23Å; F239-F294 AromaticContact CG-CD2 3.86Å; F239-F294 HydrophobicContact CG-CD2 3.86Å; F239-F294 HydrophobicContact CZ-CB 4.13Å; F239-F294 VanDerWaalsContact CZ-N 3.31Å; F239-Y297 HydrophobicContact CD2-CD1 4.04Å; F239-Y297 HydrophobicContact CD2-CD2 4.36Å; F239-Y297 AromaticContact CD2-CG 3.8Å; F239-Y297 HydrophobicContact CD2-CG 3.8Å; F239-Y297 HydrophobicContact CE2-CG 4.27Å; F239-Y298 HydrophobicContact CB-CE2 3.96Å |
| 240 | L | 94.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | I | π-helix | trans | -71.3 | -22.5 | 177.2 | -65.2 | 176.7 | 0 | 0 | 0 | 113 | L214 L236 I237 H238 T244 V248 L249 L290 | L214-L240 HydrophobicContact CD2-CD1 3.62Å; L214-L240 HydrophobicContact CG-CD1 4.37Å; L236-L240 HydrophobicContact CD1-CD1 4.04Å; L236-L240 HydrophobicContact CD1-CG 4.16Å; L236-L240 HydrophobicContact CG-CD1 4.07Å; L236-L240 VanDerWaalsContact O-CG 3.3Å; L236-L240 WeakPolarHBondContact O-CG 3.49Å; L236-L240 PolarHBondContact O-N 3.34Å; I237-L240 PolarHBondContact O-N 3.03Å; H238-L240 VanDerWaalsContact C-N 3.25Å; H238-L240 PolarHBondContact O-N 3.42Å; L240-T244 PolarHBondContact O-OG1 3.23Å; L240-V248 HydrophobicContact CB-CB 4.04Å; L240-V248 HydrophobicContact CD2-CB 3.85Å; L240-V248 HydrophobicContact CD2-CG1 4.05Å; L240-V248 HydrophobicContact CD2-CG2 3.95Å; L240-V248 HydrophobicContact CG-CB 4.45Å; L240-V248 PolarHBondContact O-N 3.2Å; L240-L249 HydrophobicContact CB-CB 4.05Å; L240-L249 HydrophobicContact CB-CD1 3.73Å; L240-L249 HydrophobicContact CB-CG 3.69Å; L240-L249 HydrophobicContact CD1-CD1 3.76Å; L240-L249 HydrophobicContact CD1-CG 4.09Å; L240-L249 HydrophobicContact CG-CD1 4.42Å; L240-L249 PolarHBondContact O-N 2.79Å; L240-L290 HydrophobicContact CD2-CD1 4.32Å; L240-L290 HydrophobicContact CD2-CD2 4.12Å |
| 241 | Q | 94.7 | Very high | 93 | Very high | 10 Ų | 10 | 20.8 Ų | 20.8 | 5% | 0.047 | 12% | 0.124 | C | C | . | . | I | π-helix | trans | -80.1 | -39.4 | 176.1 | -73.7 | 172.1 | -37.8 | 0 | 0 | 114 | Y208 I237 H238 F239 P247 L249 P250 V310 | Y208-Q241 PolarHBondContact OH-NE2 2.91Å; I237-Q241 HydrophobicContact CG2-CG 4.32Å; I237-Q241 VanDerWaalsContact O-CG 3.28Å; I237-Q241 WeakPolarHBondContact O-CG 3.4Å; I237-Q241 PolarHBondContact O-N 3.21Å; H238-Q241 WeakPolarHBondContact O-CB 3.49Å; H238-Q241 PolarHBondContact O-N 3.44Å; F239-Q241 VanDerWaalsContact C-N 3.28Å; F239-Q241 PolarHBondContact O-N 2.87Å; Q241-P247 VanDerWaalsContact O-CB 3.31Å; Q241-P247 WeakPolarHBondContact O-CB 3.46Å; Q241-P247 WeakPolarHBondContact O-CG 3.34Å; Q241-L249 WeakPolarHBondContact CA-O 3.48Å; Q241-L249 HydrophobicContact CG-CB 4.01Å; Q241-P250 PolarHBondContact NE2-O 2.92Å; Q241-V310 PolarHBondContact NE2-O 2.96Å; Q241-V310 PolarHBondContact OE1-O 3.26Å |
| 242 | C | 95.6 | Very high | 93.1 | Very high | 48 Ų | 48 | 21 Ų | 21 | 32% | 0.324 | 13% | 0.125 | S | C | . | . | I | π-helix | trans | -148 | -5.4 | -173.2 | 67.8 | 0 | 0 | 0 | 0 | 115.4 | H238 T244 G313 | H238-C242 PolarHBondContact CE1-SG 2.93Å; H238-C242 PolarHBondContact NE2-SG 3.4Å; H238-C242 PolarHBondContact O-N 2.88Å; C242-T244 VanDerWaalsContact C-N 3.32Å; C242-G313 WeakPolarHBondContact CB-O 3.31Å |
| 243 | G | 95.1 | Very high | 93.2 | Very high | 22 Ų | 22 | 22 Ų | 22 | 23% | 0.227 | 13% | 0.13 | C | C | . | . | I | π-helix | trans | -83.3 | -9.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F239 Y297 | F239-G243 CarbonylContact O-C 3.44Å; F239-G243 WeakPolarHBondContact O-CA 3.38Å; F239-G243 PolarHBondContact O-N 3.4Å; G243-Y297 VanDerWaalsContact CA-CE2 3.46Å |
| 244 | T | 93.3 | Very high | 93.3 | Very high | 7 Ų | 7 | 27.1 Ų | 27.1 | 4% | 0.043 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -114.5 | 144.5 | 175.5 | 53.6 | 0 | 0 | 0 | 0 | 110.2 | F239 L240 C242 P246 V248 L290 | F239-T244 HydrophobicContact CD1-CG2 4.39Å; F239-T244 HydrophobicContact CE1-CG2 3.7Å; F239-T244 HydrophobicContact CE2-CG2 3.83Å; F239-T244 HydrophobicContact CZ-CG2 3.37Å; F239-T244 PolarHBondContact O-N 2.95Å; F239-T244 VanDerWaalsContact O-N 3.16Å; L240-T244 PolarHBondContact O-OG1 3.23Å; C242-T244 VanDerWaalsContact C-N 3.32Å; T244-P246 CarbonylContact C-O 3.5Å; T244-P246 CarbonylContact O-C 3.54Å; T244-P246 PolarHBondContact OG1-O 3.43Å; T244-V248 HydrophobicContact CG2-CG2 4.34Å; T244-V248 PolarHBondContact OG1-N 3.38Å; T244-L290 HydrophobicContact CG2-CD2 3.91Å |
| 245 | Q | 92.8 | Very high | 93.1 | Very high | 168 Ų | 168 | 30.9 Ų | 30.9 | 79% | 0.785 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -127.2 | 114.6 | 173.1 | -176.9 | 61.1 | 48.4 | 0 | 0 | 109.1 | ||
| 246 | P | 93.5 | Very high | 92.8 | Very high | 38 Ų | 38 | 32.5 Ų | 32.5 | 25% | 0.247 | 18% | 0.181 | C | C | . | . | S | Bend | cis | -71 | 160.6 | -3.4 | 32.1 | -35.9 | 0 | 0 | 0 | 113 | T244 S282 N283 | T244-P246 CarbonylContact C-O 3.5Å; T244-P246 CarbonylContact O-C 3.54Å; T244-P246 PolarHBondContact OG1-O 3.43Å; P246-S282 WeakPolarHBondContact CB-OG 3.49Å; P246-S282 VanDerWaalsContact CG-OG 3.24Å; P246-S282 WeakPolarHBondContact CG-OG 3.45Å; P246-N283 HydrophobicContact CG-CB 3.94Å; P246-N283 PolarHBondContact O-ND2 2.91Å |
| 247 | P | 92.7 | Very high | 92.6 | Very high | 56 Ų | 56 | 35.9 Ų | 35.9 | 36% | 0.364 | 20% | 0.202 | S | C | . | . | trans | -56.4 | 136.1 | 175.1 | -30 | 37.8 | 0 | 0 | 0 | 113.4 | Q241 S281 | Q241-P247 VanDerWaalsContact O-CB 3.31Å; Q241-P247 WeakPolarHBondContact O-CB 3.46Å; Q241-P247 WeakPolarHBondContact O-CG 3.34Å; P247-S281 WeakPolarHBondContact O-CB 3.36Å; P247-S281 PolarHBondContact O-OG 3.21Å | ||
| 248 | V | 90 | Very high | 92 | Very high | 17 Ų | 17 | 42.8 Ų | 42.8 | 10% | 0.103 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -80.9 | -40.6 | 172 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | S213 L240 T244 S281 N283 L290 | S213-V248 WeakPolarHBondContact OG-CG1 3.39Å; L240-V248 HydrophobicContact CB-CB 4.04Å; L240-V248 HydrophobicContact CD2-CB 3.85Å; L240-V248 HydrophobicContact CD2-CG1 4.05Å; L240-V248 HydrophobicContact CD2-CG2 3.95Å; L240-V248 HydrophobicContact CG-CB 4.45Å; L240-V248 PolarHBondContact O-N 3.2Å; T244-V248 HydrophobicContact CG2-CG2 4.34Å; T244-V248 PolarHBondContact OG1-N 3.38Å; V248-S281 WeakPolarHBondContact CA-OG 3.33Å; V248-S281 WeakPolarHBondContact O-CB 3.47Å; V248-N283 HydrophobicContact CG2-CB 3.75Å; V248-N283 VanDerWaalsContact CG2-CG 3.5Å; V248-L290 HydrophobicContact CG2-CD1 4.33Å; V248-L290 HydrophobicContact CG2-CD2 3.78Å |
| 249 | L | 90.8 | Very high | 91.4 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -111.3 | 140.5 | 179.4 | -69.7 | -179.3 | 0 | 0 | 0 | 111.2 | Y208 V211 L214 I237 L240 Q241 | Y208-L249 HydrophobicContact CD1-CD1 3.96Å; Y208-L249 HydrophobicContact CE1-CD1 4.41Å; V211-L249 HydrophobicContact CB-CD2 3.57Å; V211-L249 HydrophobicContact CG1-CD2 3.55Å; V211-L249 HydrophobicContact CG2-CD2 3.65Å; L214-L249 HydrophobicContact CD1-CD1 4.18Å; L214-L249 HydrophobicContact CD2-CD1 4.08Å; L214-L249 HydrophobicContact CG-CD1 4.18Å; I237-L249 HydrophobicContact CB-CD1 4.45Å; I237-L249 HydrophobicContact CG1-CD1 4.38Å; I237-L249 HydrophobicContact CG2-CD1 4.19Å; L240-L249 HydrophobicContact CB-CB 4.05Å; L240-L249 HydrophobicContact CB-CD1 3.73Å; L240-L249 HydrophobicContact CB-CG 3.69Å; L240-L249 HydrophobicContact CD1-CD1 3.76Å; L240-L249 HydrophobicContact CD1-CG 4.09Å; L240-L249 HydrophobicContact CG-CD1 4.42Å; L240-L249 PolarHBondContact O-N 2.79Å; Q241-L249 WeakPolarHBondContact CA-O 3.48Å; Q241-L249 HydrophobicContact CG-CB 4.01Å |
| 250 | P | 90.8 | Very high | 91 | Very high | 41 Ų | 41 | 46 Ų | 46 | 27% | 0.266 | 25% | 0.251 | S | S | . | . | trans | -75.2 | 170.4 | 166.1 | 31 | -33 | 0 | 0 | 0 | 112.1 | Y208 Q241 L252 M255 | Y208-P250 WeakPolarHBondContact CE1-O 3.19Å; Y208-P250 PolarHBondContact OH-O 2.72Å; Q241-P250 PolarHBondContact NE2-O 2.92Å; P250-L252 HydrophobicContact CG-CD2 4.2Å; P250-L252 PolarHBondContact O-N 3.27Å; P250-M255 HydrophobicContact CB-CG 4.44Å; P250-M255 HydrophobicContact CB-SD 3.23Å; P250-M255 WeakPolarHBondContact CB-SD 3.26Å; P250-M255 HydrophobicContact CG-SD 3.89Å | ||
| 251 | C | 92.6 | Very high | 90.4 | Very high | 18 Ų | 18 | 47.4 Ų | 47.4 | 12% | 0.122 | 26% | 0.262 | C | S | . | . | trans | -88.1 | 101.2 | 164.2 | -173.9 | 0 | 0 | 0 | 0 | 110.9 | Q253 L254 M255 R311 | C251-Q253 VanDerWaalsContact C-N 3.34Å; C251-Q253 PolarHBondContact O-N 2.83Å; C251-L254 HydrophobicContact CB-CB 4.12Å; C251-L254 HydrophobicContact CB-CD1 3.96Å; C251-L254 HydrophobicContact CB-CG 4.15Å; C251-L254 PolarHBondContact O-N 3.13Å; C251-L254 VanDerWaalsContact SG-CG 3.57Å; C251-M255 PolarHBondContact O-N 2.75Å; C251-R311 PolarHBondContact SG-O 3.07Å | ||
| 252 | L | 91.4 | Very high | 89.2 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.3 | -37.4 | -176.3 | -68.1 | -177.7 | 0 | 0 | 0 | 113.4 | L204 H207 Y208 P250 L254 M255 Y256 F260 L275 | L204-L252 HydrophobicContact CD1-CB 4.15Å; L204-L252 HydrophobicContact CD1-CD1 4.35Å; H207-L252 HydrophobicContact CB-CD1 3.75Å; Y208-L252 HydrophobicContact CD1-CD1 3.73Å; Y208-L252 HydrophobicContact CD1-CG 4.12Å; Y208-L252 HydrophobicContact CD2-CD1 4.11Å; Y208-L252 HydrophobicContact CE1-CB 4.31Å; Y208-L252 HydrophobicContact CE1-CD1 3.65Å; Y208-L252 HydrophobicContact CE1-CG 3.54Å; Y208-L252 HydrophobicContact CE2-CB 4.48Å; Y208-L252 HydrophobicContact CE2-CD1 4.05Å; Y208-L252 HydrophobicContact CE2-CG 4.36Å; Y208-L252 HydrophobicContact CG-CD1 3.94Å; Y208-L252 PolarHBondContact OH-N 3.45Å; P250-L252 HydrophobicContact CG-CD2 4.2Å; P250-L252 PolarHBondContact O-N 3.27Å; L252-L254 VanDerWaalsContact C-N 3.29Å; L252-L254 PolarHBondContact O-N 2.83Å; L252-M255 PolarHBondContact O-N 3Å; L252-Y256 HydrophobicContact CD2-CD2 4.04Å; L252-Y256 HydrophobicContact CD2-CE2 3.95Å; L252-Y256 PolarHBondContact O-N 2.97Å; L252-F260 HydrophobicContact CB-CD2 4.01Å; L252-F260 HydrophobicContact CB-CE2 3.77Å; L252-F260 HydrophobicContact CB-CZ 4.2Å; L252-F260 HydrophobicContact CD1-CE2 4.38Å; L252-F260 HydrophobicContact CD1-CZ 4.05Å; L252-F260 HydrophobicContact CG-CE2 4.48Å; L252-F260 WeakPolarHBondContact O-CD2 3.31Å; L252-L275 HydrophobicContact CD1-CD1 4.3Å; L252-L275 HydrophobicContact CD2-CD1 3.41Å; L252-L275 VanDerWaalsContact CD2-CD1 3.41Å; L252-L275 HydrophobicContact CG-CD1 4.5Å |
| 253 | Q | 92.5 | Very high | 87.9 | Confident | 25 Ų | 25 | 58.3 Ų | 58.3 | 12% | 0.117 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.9 | -30.1 | 178.4 | -79.3 | 175.4 | -80.1 | 0 | 0 | 112.6 | L204 C251 F260 P330 | L204-Q253 HydrophobicContact CD1-CG 4.24Å; C251-Q253 VanDerWaalsContact C-N 3.34Å; C251-Q253 PolarHBondContact O-N 2.83Å; Q253-F260 HydrophobicContact CB-CB 4.46Å; Q253-F260 HydrophobicContact CG-CB 3.64Å; Q253-F260 HydrophobicContact CG-CG 4.47Å; Q253-P330 PolarHBondContact NE2-O 3.01Å; Q253-P330 VanDerWaalsContact NE2-O 3.13Å |
| 254 | L | 91.8 | Very high | 86.7 | Confident | 109 Ų | 109 | 59.6 Ų | 59.6 | 57% | 0.571 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -81.9 | -38 | 174 | -65.6 | 178.9 | 0 | 0 | 0 | 112.4 | C251 L252 | C251-L254 HydrophobicContact CB-CB 4.12Å; C251-L254 HydrophobicContact CB-CD1 3.96Å; C251-L254 HydrophobicContact CB-CG 4.15Å; C251-L254 PolarHBondContact O-N 3.13Å; C251-L254 VanDerWaalsContact SG-CG 3.57Å; L252-L254 VanDerWaalsContact C-N 3.29Å; L252-L254 PolarHBondContact O-N 2.83Å |
| 255 | M | 89.7 | Confident | 85.7 | Confident | 80 Ų | 80 | 64.1 Ų | 64.1 | 39% | 0.394 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -73 | -34.7 | 180 | -76.4 | -172.6 | 68.9 | 0 | 0 | 113.4 | P250 C251 L252 A279 | P250-M255 HydrophobicContact CB-CG 4.44Å; P250-M255 HydrophobicContact CB-SD 3.23Å; P250-M255 WeakPolarHBondContact CB-SD 3.26Å; P250-M255 HydrophobicContact CG-SD 3.89Å; C251-M255 PolarHBondContact O-N 2.75Å; L252-M255 PolarHBondContact O-N 3Å; M255-A279 HydrophobicContact CE-CB 4.11Å |
| 256 | Y | 88.1 | Confident | 84.8 | Confident | 34 Ų | 34 | 56.4 Ų | 56.4 | 13% | 0.133 | 29% | 0.285 | C | S | . | . | trans | -132.7 | 63.3 | -174.1 | -51.2 | -76.8 | 0 | 0 | 0 | 111.2 | L252 D258 R259 F260 L275 P276 S277 | L252-Y256 HydrophobicContact CD2-CD2 4.04Å; L252-Y256 HydrophobicContact CD2-CE2 3.95Å; L252-Y256 PolarHBondContact O-N 2.97Å; Y256-D258 VanDerWaalsContact C-N 3.25Å; Y256-D258 PolarHBondContact O-N 2.98Å; Y256-R259 WeakPolarHBondContact O-CA 3.47Å; Y256-R259 WeakPolarHBondContact O-CB 3.49Å; Y256-R259 PolarHBondContact O-N 3.46Å; Y256-F260 HydrophobicContact CD2-CE2 4.06Å; Y256-F260 HydrophobicContact CG-CE2 4.37Å; Y256-F260 WeakPolarHBondContact O-CD2 3.38Å; Y256-F260 PolarHBondContact O-N 3.02Å; Y256-L275 HydrophobicContact CD2-CD1 4.46Å; Y256-L275 HydrophobicContact CD2-CD2 4.14Å; Y256-L275 HydrophobicContact CE2-CB 4.43Å; Y256-L275 HydrophobicContact CE2-CD1 3.94Å; Y256-L275 HydrophobicContact CE2-CD2 4.1Å; Y256-L275 HydrophobicContact CE2-CG 4.39Å; Y256-P276 HydrophobicContact CE1-CG 4.29Å; Y256-S277 PolarHBondContact OH-O 3.08Å | ||
| 257 | P | 87.5 | Confident | 83.7 | Confident | 71 Ų | 71 | 60 Ų | 60 | 46% | 0.461 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56.2 | -39.9 | -177.5 | 22.6 | -33.4 | 0 | 0 | 0 | 111.9 | R259 F260 S261 | P257-R259 PolarHBondContact O-N 3.27Å; P257-F260 PolarHBondContact O-N 2.7Å; P257-S261 WeakPolarHBondContact O-CA 3.13Å; P257-S261 WeakPolarHBondContact O-CB 3.38Å; P257-S261 PolarHBondContact O-N 2.83Å |
| 258 | D | 83.8 | Confident | 82.6 | Confident | 146 Ų | 146 | 61.1 Ų | 61.1 | 78% | 0.781 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -64.1 | -25.7 | 177.4 | -59.1 | -35.7 | 0 | 0 | 0 | 113.4 | Y256 | Y256-D258 VanDerWaalsContact C-N 3.25Å; Y256-D258 PolarHBondContact O-N 2.98Å |
| 259 | R | 82.4 | Confident | 81.8 | Confident | 63 Ų | 63 | 60.9 Ų | 60.9 | 24% | 0.238 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -86.1 | -36.5 | -179.6 | -66.5 | -97.3 | -118.5 | -115.5 | 6.9 | 111.7 | Y256 P257 R264 K274 P276 | Y256-R259 WeakPolarHBondContact O-CA 3.47Å; Y256-R259 WeakPolarHBondContact O-CB 3.49Å; Y256-R259 PolarHBondContact O-N 3.46Å; P257-R259 PolarHBondContact O-N 3.27Å; R259-R264 VanDerWaalsContact CA-NH1 3.26Å; R259-R264 WeakPolarHBondContact O-CD 3.42Å; R259-R264 PolarHBondContact O-NH1 3.04Å; R259-K274 PolarHBondContact NH2-O 3.31Å; R259-P276 VanDerWaalsContact NH2-CD 3.32Å |
| 260 | F | 87.8 | Confident | 80.7 | Confident | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -119.2 | 14.5 | -170.6 | -58.2 | -76.7 | 0 | 0 | 0 | 113.9 | H203 L204 H207 L252 Q253 Y256 P257 L275 Y331 | H203-F260 AromaticContact CE1-CE1 3.7Å; H203-F260 AromaticContact ND1-CD1 3.87Å; H203-F260 AromaticContact ND1-CE1 3.71Å; L204-F260 HydrophobicContact CD1-CD1 3.74Å; L204-F260 HydrophobicContact CD1-CE1 4.01Å; L204-F260 HydrophobicContact CD1-CG 4.23Å; H207-F260 HydrophobicContact CB-CE1 4.11Å; H207-F260 HydrophobicContact CB-CZ 3.91Å; H207-F260 AromaticContact CD2-CE1 3.74Å; H207-F260 AromaticContact CD2-CZ 3.95Å; H207-F260 AromaticContact CG-CE1 3.92Å; H207-F260 AromaticContact CG-CZ 3.72Å; L252-F260 HydrophobicContact CB-CD2 4.01Å; L252-F260 HydrophobicContact CB-CE2 3.77Å; L252-F260 HydrophobicContact CB-CZ 4.2Å; L252-F260 HydrophobicContact CD1-CE2 4.38Å; L252-F260 HydrophobicContact CD1-CZ 4.05Å; L252-F260 HydrophobicContact CG-CE2 4.48Å; L252-F260 WeakPolarHBondContact O-CD2 3.31Å; Q253-F260 HydrophobicContact CB-CB 4.46Å; Q253-F260 HydrophobicContact CG-CB 3.64Å; Q253-F260 HydrophobicContact CG-CG 4.47Å; Y256-F260 HydrophobicContact CD2-CE2 4.06Å; Y256-F260 HydrophobicContact CG-CE2 4.37Å; Y256-F260 WeakPolarHBondContact O-CD2 3.38Å; Y256-F260 PolarHBondContact O-N 3.02Å; P257-F260 PolarHBondContact O-N 2.7Å; F260-L275 HydrophobicContact CE2-CD2 4.17Å; F260-L275 HydrophobicContact CZ-CD2 4.16Å; F260-Y331 WeakPolarHBondContact CA-OH 3.24Å; F260-Y331 WeakPolarHBondContact CB-OH 3.33Å; F260-Y331 WeakPolarHBondContact O-CE1 3.14Å; F260-Y331 PolarHBondContact O-OH 3.36Å |
| 261 | S | 81.1 | Confident | 79.7 | Confident | 31 Ų | 31 | 60.7 Ų | 60.7 | 22% | 0.217 | 30% | 0.296 | C | S | . | . | trans | -65.8 | 149.4 | 175 | 176 | 0 | 0 | 0 | 0 | 112.8 | P257 T263 R264 | P257-S261 WeakPolarHBondContact O-CA 3.13Å; P257-S261 WeakPolarHBondContact O-CB 3.38Å; P257-S261 PolarHBondContact O-N 2.83Å; S261-T263 PolarHBondContact O-N 3Å; S261-T263 PolarHBondContact OG-N 3.28Å; S261-T263 PolarHBondContact OG-OG1 2.86Å; S261-R264 WeakPolarHBondContact O-CB 3.45Å; S261-R264 PolarHBondContact O-N 2.81Å | ||
| 262 | Y | 69.7 | Low | 78.5 | Confident | 196 Ų | 196 | 60.1 Ų | 60.1 | 77% | 0.769 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -26.1 | 169.9 | 70.4 | -85 | 0 | 0 | 0 | 113.3 | R264 | Y262-R264 PolarHBondContact O-N 2.91Š|
| 263 | T | 69.3 | Low | 77.6 | Confident | 90 Ų | 90 | 63.7 Ų | 63.7 | 55% | 0.552 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -1.4 | -179.1 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | S261 R265 | S261-T263 PolarHBondContact O-N 3Å; S261-T263 PolarHBondContact OG-N 3.28Å; S261-T263 PolarHBondContact OG-OG1 2.86Å; T263-R265 PolarHBondContact O-N 2.85Å |
| 264 | R | 69.9 | Low | 76.6 | Confident | 50 Ų | 50 | 66.9 Ų | 66.9 | 19% | 0.189 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -79.9 | 122.6 | -174.8 | -170.3 | 173.8 | -175.8 | -176.9 | 3.9 | 110.6 | R259 S261 Y262 L266 N268 | R259-R264 VanDerWaalsContact CA-NH1 3.26Å; R259-R264 WeakPolarHBondContact O-CD 3.42Å; R259-R264 PolarHBondContact O-NH1 3.04Å; S261-R264 WeakPolarHBondContact O-CB 3.45Å; S261-R264 PolarHBondContact O-N 2.81Å; Y262-R264 PolarHBondContact O-N 2.91Å; R264-L266 PolarHBondContact O-N 2.81Å; R264-N268 HydrophobicContact CG-CB 4.39Å; R264-N268 PolarHBondContact NH2-O 3.31Å |
| 265 | R | 71.4 | Confident | 75.9 | Confident | 101 Ų | 101 | 63.3 Ų | 63.3 | 38% | 0.381 | 30% | 0.301 | S | S | . | . | trans | -59 | 135.3 | 175.3 | -59.8 | -171 | -173 | -163.2 | 9 | 111.7 | T263 K267 N268 | T263-R265 PolarHBondContact O-N 2.85Å; R265-K267 HydrophobicContact CB-CG 4.09Å; R265-K267 PolarHBondContact O-N 3.27Å; R265-K267 VanDerWaalsContact O-N 3.14Å; R265-N268 WeakPolarHBondContact O-CB 3.47Å; R265-N268 PolarHBondContact O-N 2.83Å | ||
| 266 | L | 73.3 | Confident | 74.8 | Confident | 6 Ų | 6 | 64.1 Ų | 64.1 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -51.3 | -39.6 | 178.7 | -73.8 | -178.6 | 0 | 0 | 0 | 114 | Y42 V131 P137 V196 I199 R264 N268 L269 | Y42-L266 HydrophobicContact CE1-CB 4.42Å; V131-L266 HydrophobicContact CG1-CD1 3.97Å; P137-L266 HydrophobicContact CB-CD1 4.16Å; P137-L266 HydrophobicContact CG-CD1 4.22Å; V196-L266 HydrophobicContact CG1-CD1 4.25Å; V196-L266 HydrophobicContact CG1-CD2 3.84Å; V196-L266 HydrophobicContact CG1-CG 4.09Å; V196-L266 HydrophobicContact CG2-CD1 4.07Å; I199-L266 HydrophobicContact CB-CD2 4.06Å; I199-L266 HydrophobicContact CD1-CD1 3.85Å; I199-L266 HydrophobicContact CD1-CD2 4.02Å; I199-L266 HydrophobicContact CG2-CD2 3.85Å; R264-L266 PolarHBondContact O-N 2.81Å; L266-N268 PolarHBondContact O-N 2.79Å; L266-N268 VanDerWaalsContact O-N 3.11Å; L266-L269 HydrophobicContact CD2-CD1 3.67Å; L266-L269 WeakPolarHBondContact O-CB 3.28Å; L266-L269 WeakPolarHBondContact O-CG 3.41Å; L266-L269 PolarHBondContact O-N 3.12Å |
| 267 | K | 70.3 | Confident | 73.6 | Confident | 115 Ų | 115 | 65.7 Ų | 65.7 | 50% | 0.5 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -61 | -20 | 178.7 | 66 | 178.1 | -179.3 | -178 | 0 | 114.2 | R45 R265 | R45-K267 VanDerWaalsContact CZ-O 3.27Å; R45-K267 PolarHBondContact NH1-O 2.99Å; R45-K267 PolarHBondContact NH2-O 3.17Å; R265-K267 HydrophobicContact CB-CG 4.09Å; R265-K267 PolarHBondContact O-N 3.27Å; R265-K267 VanDerWaalsContact O-N 3.14Å |
| 268 | N | 70.7 | Confident | 72.3 | Confident | 79 Ų | 79 | 68.5 Ų | 68.5 | 42% | 0.422 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -93.4 | -4.4 | 179.6 | -64.7 | -15.6 | 0 | 0 | 0 | 112.1 | R264 R265 L266 T270 | R264-N268 HydrophobicContact CG-CB 4.39Å; R264-N268 PolarHBondContact NH2-O 3.31Å; R265-N268 WeakPolarHBondContact O-CB 3.47Å; R265-N268 PolarHBondContact O-N 2.83Å; L266-N268 PolarHBondContact O-N 2.79Å; L266-N268 VanDerWaalsContact O-N 3.11Å; N268-T270 PolarHBondContact O-N 3.04Å |
| 269 | L | 72 | Confident | 71.3 | Confident | 11 Ų | 11 | 64.1 Ų | 64.1 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | trans | -66.3 | 123.5 | 172 | -62.6 | 179.2 | 0 | 0 | 0 | 108.6 | I199 L266 F271 | I199-L269 HydrophobicContact CG2-CD1 3.7Å; L266-L269 HydrophobicContact CD2-CD1 3.67Å; L266-L269 WeakPolarHBondContact O-CB 3.28Å; L266-L269 WeakPolarHBondContact O-CG 3.41Å; L266-L269 PolarHBondContact O-N 3.12Å; L269-F271 HydrophobicContact CB-CE2 4.44Å | ||
| 270 | T | 69.6 | Low | 70.9 | Confident | 31 Ų | 31 | 69.3 Ų | 69.3 | 19% | 0.19 | 35% | 0.348 | C | S | . | . | trans | -110.6 | 105.9 | 167.8 | 33.4 | 0 | 0 | 0 | 0 | 105.4 | H203 N268 | H203-T270 PolarHBondContact CD2-O 3.19Å; H203-T270 PolarHBondContact NE2-O 3.07Å; N268-T270 PolarHBondContact O-N 3.04Å | ||
| 271 | F | 68.3 | Low | 70.7 | Confident | 9 Ų | 9 | 71 Ų | 71 | 4% | 0.039 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -65.4 | 150.5 | 156.6 | -65.2 | -92.3 | 0 | 0 | 0 | 106.3 | Q46 I199 T202 H203 H206 L269 | Q46-F271 HydrophobicContact CG-CD2 3.83Å; Q46-F271 HydrophobicContact CG-CE2 4.29Å; Q46-F271 HydrophobicContact CG-CG 4.16Å; I199-F271 HydrophobicContact CG2-CZ 4.33Å; T202-F271 HydrophobicContact CG2-CE1 4.07Å; H203-F271 HydrophobicContact CB-CE1 3.84Å; H203-F271 HydrophobicContact CB-CZ 3.94Å; H206-F271 HydrophobicContact CB-CD1 4.34Å; L269-F271 HydrophobicContact CB-CE2 4.44Å |
| 272 | F | 68.3 | Low | 71 | Confident | 6 Ų | 6 | 73.6 Ų | 73.6 | 3% | 0.026 | 38% | 0.379 | C | S | . | . | S | Bend | trans | 72 | 32.5 | 169.8 | -43.2 | -28.1 | 0 | 0 | 0 | 117 | L21 E23 Q46 H206 | L21-F272 HydrophobicContact CB-CD1 3.54Å; L21-F272 HydrophobicContact CB-CE1 3.81Å; L21-F272 HydrophobicContact CB-CG 4.33Å; L21-F272 HydrophobicContact CD1-CD1 4.38Å; L21-F272 HydrophobicContact CD1-CE1 3.81Å; L21-F272 HydrophobicContact CD2-CD1 3.9Å; L21-F272 HydrophobicContact CD2-CE1 3.46Å; L21-F272 VanDerWaalsContact CD2-CE1 3.46Å; L21-F272 HydrophobicContact CD2-CE2 4.13Å; L21-F272 HydrophobicContact CD2-CZ 3.58Å; L21-F272 HydrophobicContact CG-CD1 4.14Å; L21-F272 HydrophobicContact CG-CE1 3.9Å; L21-F272 HydrophobicContact CG-CZ 4.49Å; L21-F272 WeakPolarHBondContact O-CA 3.31Å; L21-F272 WeakPolarHBondContact O-CB 3.33Å; L21-F272 WeakPolarHBondContact O-CD1 3.41Å; L21-F272 VanDerWaalsContact O-CG 3.22Å; L21-F272 WeakPolarHBondContact O-CG 3.24Å; E23-F272 WeakPolarHBondContact CA-O 3.45Å; E23-F272 WeakPolarHBondContact CB-O 3.33Å; E23-F272 PolarHBondContact N-O 3.23Å; Q46-F272 VanDerWaalsContact CA-CE2 3.5Å; Q46-F272 WeakPolarHBondContact O-CE2 3.19Å; H206-F272 AromaticContact CE1-CD1 3.32Å; H206-F272 WeakPolarHBondContact CE1-CD1 3.23Å; H206-F272 AromaticContact CE1-CE1 3.72Å; H206-F272 AromaticContact ND1-CD1 3.9Å; H206-F272 AromaticContact ND1-CE1 3.83Å; H206-F272 AromaticContact NE2-CD1 3.43Å; H206-F272 WeakPolarHBondContact NE2-CD1 3.39Å; H206-F272 PolarHBondContact NE2-N 3.23Å |
| 273 | K | 71.9 | Confident | 71.9 | Confident | 80 Ų | 80 | 65.2 Ų | 65.2 | 35% | 0.348 | 35% | 0.347 | S | S | . | . | B | Isolated β-bridge | trans | -112.2 | 128.5 | 173.4 | -172.2 | 167.8 | -174.5 | 164.5 | 0 | 110.9 | E23 H207 | E23-K273 WeakPolarHBondContact O-CA 3.46Å; H207-K273 PolarHBondContact CE1-O 3.15Å |
| 274 | K | 72.1 | Confident | 72.8 | Confident | 92 Ų | 92 | 66.3 Ų | 66.3 | 40% | 0.4 | 35% | 0.346 | S | S | . | . | trans | -57.4 | 144 | 173.4 | -69.6 | -169.6 | -178 | 168.9 | 0 | 111.5 | T22 E23 D24 R259 | T22-K274 HydrophobicContact CG2-CG 4.16Å; T22-K274 WeakPolarHBondContact OG1-CE 2.89Å; E23-K274 PolarHBondContact O-N 3.27Å; D24-K274 WeakPolarHBondContact OD1-CD 3.3Å; R259-K274 PolarHBondContact NH2-O 3.31Å | ||
| 275 | L | 75.8 | Confident | 73.7 | Confident | 35 Ų | 35 | 66.2 Ų | 66.2 | 18% | 0.183 | 35% | 0.348 | C | S | . | . | trans | -72.5 | 148.3 | 169.3 | -68.3 | 173.7 | 0 | 0 | 0 | 109.3 | L252 Y256 F260 S277 | L252-L275 HydrophobicContact CD1-CD1 4.3Å; L252-L275 HydrophobicContact CD2-CD1 3.41Å; L252-L275 VanDerWaalsContact CD2-CD1 3.41Å; L252-L275 HydrophobicContact CG-CD1 4.5Å; Y256-L275 HydrophobicContact CD2-CD1 4.46Å; Y256-L275 HydrophobicContact CD2-CD2 4.14Å; Y256-L275 HydrophobicContact CE2-CB 4.43Å; Y256-L275 HydrophobicContact CE2-CD1 3.94Å; Y256-L275 HydrophobicContact CE2-CD2 4.1Å; Y256-L275 HydrophobicContact CE2-CG 4.39Å; F260-L275 HydrophobicContact CE2-CD2 4.17Å; F260-L275 HydrophobicContact CZ-CD2 4.16Å; L275-S277 PolarHBondContact O-N 3.15Å; L275-S277 VanDerWaalsContact O-N 3.15Å | ||
| 276 | P | 68.7 | Low | 74.4 | Confident | 96 Ų | 96 | 63.2 Ų | 63.2 | 62% | 0.623 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -68.8 | -13.9 | -170.8 | -16.6 | 32.1 | 0 | 0 | 0 | 114.4 | Y256 R259 | Y256-P276 HydrophobicContact CE1-CG 4.29Å; R259-P276 VanDerWaalsContact NH2-CD 3.32Å |
| 277 | S | 61.9 | Low | 75 | Confident | 67 Ų | 67 | 63.1 Ų | 63.1 | 47% | 0.469 | 34% | 0.339 | S | S | . | . | trans | -149.1 | 113.3 | -174.8 | 167.5 | 0 | 0 | 0 | 0 | 108.6 | Y256 L275 A279 | Y256-S277 PolarHBondContact OH-O 3.08Å; L275-S277 PolarHBondContact O-N 3.15Å; L275-S277 VanDerWaalsContact O-N 3.15Å; S277-A279 PolarHBondContact O-N 3.44Å | ||
| 278 | D | 59.8 | Low | 75.8 | Confident | 131 Ų | 131 | 57.7 Ų | 57.7 | 70% | 0.701 | 32% | 0.315 | S | S | * | . | trans | -72.9 | 86.2 | 163.3 | -61.7 | -31.7 | 0 | 0 | 0 | 106.5 | K280 | D278-K280 HydrophobicContact CB-CG 4.49Å; D278-K280 PolarHBondContact O-N 3.33Å | ||
| 279 | A | 64 | Low | 76.7 | Confident | 54 Ų | 54 | 58 Ų | 58 | 45% | 0.446 | 31% | 0.314 | S | S | . | . | trans | -61 | 91.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | M255 S277 S281 | M255-A279 HydrophobicContact CE-CB 4.11Å; S277-A279 PolarHBondContact O-N 3.44Å; A279-S281 PolarHBondContact O-N 3.49Å | ||
| 280 | K | 73.1 | Confident | 77.7 | Confident | 171 Ų | 171 | 57.5 Ų | 57.5 | 74% | 0.743 | 31% | 0.312 | S | S | * | . | trans | -65 | 122.5 | -179 | -67.8 | -166.5 | 177.6 | -165.6 | 0 | 108 | D278 | D278-K280 HydrophobicContact CB-CG 4.49Å; D278-K280 PolarHBondContact O-N 3.33Å | ||
| 281 | S | 83.6 | Confident | 78.7 | Confident | 41 Ų | 41 | 56 Ų | 56 | 29% | 0.287 | 30% | 0.303 | S | S | . | . | trans | -60.8 | 142.4 | 172 | 176.3 | 0 | 0 | 0 | 0 | 109.9 | P247 V248 A279 N283 | P247-S281 WeakPolarHBondContact O-CB 3.36Å; P247-S281 PolarHBondContact O-OG 3.21Å; V248-S281 WeakPolarHBondContact CA-OG 3.33Å; V248-S281 WeakPolarHBondContact O-CB 3.47Å; A279-S281 PolarHBondContact O-N 3.49Å; S281-N283 VanDerWaalsContact C-N 3.26Å; S281-N283 WeakPolarHBondContact OG-CB 3.44Å; S281-N283 PolarHBondContact OG-N 3.12Å | ||
| 282 | S | 87.8 | Confident | 79.7 | Confident | 85 Ų | 85 | 55.8 Ų | 55.8 | 59% | 0.594 | 30% | 0.303 | S | S | * | . | trans | -83.6 | -1.8 | 169.2 | 53 | 0 | 0 | 0 | 0 | 112.8 | P246 Q284 | P246-S282 WeakPolarHBondContact CB-OG 3.49Å; P246-S282 VanDerWaalsContact CG-OG 3.24Å; P246-S282 WeakPolarHBondContact CG-OG 3.45Å; S282-Q284 PolarHBondContact O-N 3.49Å; S282-Q284 PolarHBondContact O-NE2 3.29Å | ||
| 283 | N | 88.9 | Confident | 80.9 | Confident | 20 Ų | 20 | 57.9 Ų | 57.9 | 11% | 0.107 | 31% | 0.314 | C | S | . | . | trans | -66.1 | 131.3 | 178.5 | -169.5 | -59.8 | 0 | 0 | 0 | 109.9 | P246 V248 S281 Q285 | P246-N283 HydrophobicContact CG-CB 3.94Å; P246-N283 PolarHBondContact O-ND2 2.91Å; V248-N283 HydrophobicContact CG2-CB 3.75Å; V248-N283 VanDerWaalsContact CG2-CG 3.5Å; S281-N283 VanDerWaalsContact C-N 3.26Å; S281-N283 WeakPolarHBondContact OG-CB 3.44Å; S281-N283 PolarHBondContact OG-N 3.12Å; N283-Q285 PolarHBondContact ND2-OE1 3.19Å; N283-Q285 WeakPolarHBondContact OD1-CB 3.34Å; N283-Q285 WeakPolarHBondContact OD1-CG 3.22Å; N283-Q285 PolarHBondContact OD1-N 2.73Å | ||
| 284 | Q | 88 | Confident | 82 | Confident | 112 Ų | 112 | 54.1 Ų | 54.1 | 52% | 0.523 | 30% | 0.297 | S | S | . | . | trans | -108.5 | 5.8 | -176.5 | -59.5 | -57.1 | -55 | 0 | 0 | 113 | S282 | S282-Q284 PolarHBondContact O-N 3.49Å; S282-Q284 PolarHBondContact O-NE2 3.29Å | ||
| 285 | Q | 88.4 | Confident | 83 | Confident | 48 Ų | 48 | 49.7 Ų | 49.7 | 22% | 0.224 | 28% | 0.278 | C | S | . | . | trans | -72.7 | 135.3 | -178.5 | -57 | -178.5 | -85.5 | 0 | 0 | 110 | N283 E289 L290 N293 | N283-Q285 PolarHBondContact ND2-OE1 3.19Å; N283-Q285 WeakPolarHBondContact OD1-CB 3.34Å; N283-Q285 WeakPolarHBondContact OD1-CG 3.22Å; N283-Q285 PolarHBondContact OD1-N 2.73Å; Q285-E289 VanDerWaalsContact CA-OE2 3.32Å; Q285-E289 WeakPolarHBondContact CA-OE2 3.45Å; Q285-E289 HydrophobicContact CB-CB 4.1Å; Q285-L290 HydrophobicContact CB-CD2 3.85Å; Q285-L290 HydrophobicContact CB-CG 3.94Å; Q285-N293 PolarHBondContact NE2-ND2 3.47Å | ||
| 286 | N | 86.4 | Confident | 83.9 | Confident | 39 Ų | 39 | 54.9 Ų | 54.9 | 21% | 0.209 | 30% | 0.296 | C | S | . | . | trans | -76.1 | 168.2 | 173.7 | 77.1 | 54.1 | 0 | 0 | 0 | 111.2 | D65 G288 E289 L290 | D65-N286 PolarHBondContact OD2-ND2 3.22Å; N286-G288 VanDerWaalsContact C-N 3.26Å; N286-G288 PolarHBondContact O-N 3.1Å; N286-G288 VanDerWaalsContact OD1-CA 3.29Å; N286-G288 WeakPolarHBondContact OD1-CA 3.22Å; N286-G288 PolarHBondContact OD1-N 3.45Å; N286-E289 PolarHBondContact N-OE2 2.9Å; N286-E289 PolarHBondContact ND2-OE2 3.31Å; N286-E289 PolarHBondContact O-N 3.23Å; N286-E289 PolarHBondContact OD1-N 2.89Å; N286-L290 VanDerWaalsContact O-CG 3.31Å; N286-L290 WeakPolarHBondContact O-CG 3.47Å; N286-L290 PolarHBondContact O-N 3.05Å | ||
| 287 | V | 86.2 | Confident | 85.3 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.2 | -28.7 | -177.5 | -62.8 | 0 | 0 | 0 | 0 | 114.3 | L10 A68 I71 I72 L216 L291 | L10-V287 HydrophobicContact CD1-CG1 3.8Å; L10-V287 HydrophobicContact CD2-CG1 4.39Å; A68-V287 HydrophobicContact CB-CG2 3.79Å; I71-V287 HydrophobicContact CB-CG2 4.15Å; I71-V287 HydrophobicContact CD1-CG2 4.35Å; I71-V287 HydrophobicContact CG2-CB 4.13Å; I71-V287 HydrophobicContact CG2-CG2 3.78Å; I72-V287 HydrophobicContact CD1-CG2 4.26Å; I72-V287 HydrophobicContact CG1-CG2 4.22Å; L216-V287 HydrophobicContact CD2-CB 4.33Å; V287-L291 WeakPolarHBondContact O-CB 3.41Å; V287-L291 PolarHBondContact O-N 3.03Å |
| 288 | G | 87 | Confident | 86.9 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.6 | -45.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N286 L290 L291 A292 | N286-G288 VanDerWaalsContact C-N 3.26Å; N286-G288 PolarHBondContact O-N 3.1Å; N286-G288 VanDerWaalsContact OD1-CA 3.29Å; N286-G288 WeakPolarHBondContact OD1-CA 3.22Å; N286-G288 PolarHBondContact OD1-N 3.45Å; G288-L290 VanDerWaalsContact C-N 3.34Å; G288-L291 PolarHBondContact O-N 3.49Å; G288-A292 PolarHBondContact O-N 2.71Å |
| 289 | E | 89.7 | Confident | 88.5 | Confident | 85 Ų | 85 | 43.7 Ų | 43.7 | 40% | 0.397 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.9 | -42.8 | 173.2 | -67.6 | 173.5 | 120.2 | 0 | 0 | 111.4 | Q285 N286 A292 N293 | Q285-E289 VanDerWaalsContact CA-OE2 3.32Å; Q285-E289 WeakPolarHBondContact CA-OE2 3.45Å; Q285-E289 HydrophobicContact CB-CB 4.1Å; N286-E289 PolarHBondContact N-OE2 2.9Å; N286-E289 PolarHBondContact ND2-OE2 3.31Å; N286-E289 PolarHBondContact O-N 3.23Å; N286-E289 PolarHBondContact OD1-N 2.89Å; E289-A292 PolarHBondContact O-N 2.8Å; E289-N293 VanDerWaalsContact O-CB 3.3Å; E289-N293 WeakPolarHBondContact O-CB 3.11Å; E289-N293 VanDerWaalsContact O-CG 3.29Å; E289-N293 PolarHBondContact O-N 2.83Å; E289-N293 PolarHBondContact O-ND2 3.28Å |
| 290 | L | 91.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.4 | -43.3 | 176.6 | -70.3 | 173.6 | 0 | 0 | 0 | 111.6 | L216 F239 L240 T244 V248 Q285 N286 G288 N293 F294 | L216-L290 HydrophobicContact CD1-CB 4.25Å; F239-L290 HydrophobicContact CE1-CD2 4.47Å; F239-L290 WeakPolarHBondContact CE1-O 3.48Å; L240-L290 HydrophobicContact CD2-CD1 4.32Å; L240-L290 HydrophobicContact CD2-CD2 4.12Å; T244-L290 HydrophobicContact CG2-CD2 3.91Å; V248-L290 HydrophobicContact CG2-CD1 4.33Å; V248-L290 HydrophobicContact CG2-CD2 3.78Å; Q285-L290 HydrophobicContact CB-CD2 3.85Å; Q285-L290 HydrophobicContact CB-CG 3.94Å; N286-L290 VanDerWaalsContact O-CG 3.31Å; N286-L290 WeakPolarHBondContact O-CG 3.47Å; N286-L290 PolarHBondContact O-N 3.05Å; G288-L290 VanDerWaalsContact C-N 3.34Å; L290-N293 PolarHBondContact O-N 3.32Å; L290-F294 WeakPolarHBondContact O-CB 3.48Å; L290-F294 PolarHBondContact O-N 3.13Å |
| 291 | L | 90.4 | Very high | 91 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.1 | -45.2 | 177.6 | -176.4 | 63.9 | 0 | 0 | 0 | 111.7 | I71 L216 I219 V287 G288 N293 F294 F295 L360 L366 M369 | I71-L291 HydrophobicContact CD1-CB 3.95Å; I71-L291 HydrophobicContact CD1-CD2 3.55Å; I71-L291 HydrophobicContact CD1-CG 4.39Å; I71-L291 HydrophobicContact CG1-CD2 4Å; L216-L291 HydrophobicContact CD1-CB 4.38Å; L216-L291 HydrophobicContact CD2-CB 4.07Å; L216-L291 HydrophobicContact CD2-CD1 4.28Å; I219-L291 HydrophobicContact CD1-CD2 4.37Å; I219-L291 HydrophobicContact CG2-CD1 4.41Å; I219-L291 HydrophobicContact CG2-CD2 4.36Å; V287-L291 WeakPolarHBondContact O-CB 3.41Å; V287-L291 PolarHBondContact O-N 3.03Å; G288-L291 PolarHBondContact O-N 3.49Å; L291-N293 PolarHBondContact O-N 3.4Å; L291-F294 WeakPolarHBondContact O-CB 3.4Å; L291-F294 PolarHBondContact O-N 3.27Å; L291-F295 HydrophobicContact CD1-CD2 4.23Å; L291-F295 HydrophobicContact CD1-CE2 3.56Å; L291-F295 HydrophobicContact CD1-CZ 4.3Å; L291-F295 HydrophobicContact CG-CD2 4.27Å; L291-F295 HydrophobicContact CG-CE2 3.85Å; L291-F295 WeakPolarHBondContact O-CD2 3.17Å; L291-F295 PolarHBondContact O-N 2.82Å; L291-L360 HydrophobicContact CD2-CD1 4.15Å; L291-L360 HydrophobicContact CD2-CD2 4.47Å; L291-L360 HydrophobicContact CG-CD1 3.98Å; L291-L366 HydrophobicContact CD2-CD1 3.84Å; L291-M369 HydrophobicContact CD2-SD 4.09Å |
| 292 | A | 91 | Very high | 91.6 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 3% | 0.033 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.1 | -45 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G288 E289 F294 F295 Y296 Y357 | G288-A292 PolarHBondContact O-N 2.71Å; E289-A292 PolarHBondContact O-N 2.8Å; A292-F294 VanDerWaalsContact C-N 3.31Å; A292-F294 PolarHBondContact O-N 2.85Å; A292-F295 PolarHBondContact O-N 2.92Å; A292-Y296 PolarHBondContact O-N 3.33Å; A292-Y357 WeakPolarHBondContact O-CD2 3.49Å |
| 293 | N | 93.6 | Very high | 91.9 | Very high | 49 Ų | 49 | 35.1 Ų | 35.1 | 26% | 0.262 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -67.6 | -30 | 178.6 | -74 | -45.7 | 0 | 0 | 0 | 113.2 | F239 Q285 E289 L290 L291 Y296 Y297 | F239-N293 HydrophobicContact CE2-CB 4.23Å; F239-N293 WeakPolarHBondContact CE2-O 3.23Å; F239-N293 HydrophobicContact CZ-CB 3.73Å; Q285-N293 PolarHBondContact NE2-ND2 3.47Å; E289-N293 VanDerWaalsContact O-CB 3.3Å; E289-N293 WeakPolarHBondContact O-CB 3.11Å; E289-N293 VanDerWaalsContact O-CG 3.29Å; E289-N293 PolarHBondContact O-N 2.83Å; E289-N293 PolarHBondContact O-ND2 3.28Å; L290-N293 PolarHBondContact O-N 3.32Å; L291-N293 PolarHBondContact O-N 3.4Å; N293-Y296 PolarHBondContact O-N 3.4Å; N293-Y297 WeakPolarHBondContact O-CB 3.44Å; N293-Y297 PolarHBondContact O-N 3.01Å |
| 294 | F | 93.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.8 | -47.8 | 171.6 | 168.7 | -91 | 0 | 0 | 0 | 111.2 | W232 L235 L236 F239 L290 L291 A292 Y297 Y298 | W232-F294 HydrophobicContact CE3-CE1 4.31Å; W232-F294 AromaticContact CE3-CZ 3.89Å; W232-F294 HydrophobicContact CE3-CZ 3.89Å; W232-F294 AromaticContact CZ3-CE1 3.76Å; W232-F294 HydrophobicContact CZ3-CE1 3.76Å; W232-F294 AromaticContact CZ3-CZ 3.7Å; W232-F294 HydrophobicContact CZ3-CZ 3.7Å; L235-F294 HydrophobicContact CB-CE2 4.03Å; L235-F294 HydrophobicContact CB-CZ 4.17Å; L236-F294 HydrophobicContact CB-CE2 4.27Å; L236-F294 HydrophobicContact CD1-CD2 4.1Å; L236-F294 HydrophobicContact CD1-CE2 4.45Å; F239-F294 HydrophobicContact CB-CD2 3.87Å; F239-F294 HydrophobicContact CB-CE2 4.44Å; F239-F294 HydrophobicContact CD1-CB 3.83Å; F239-F294 AromaticContact CD1-CD2 3.86Å; F239-F294 HydrophobicContact CD1-CD2 3.86Å; F239-F294 HydrophobicContact CD1-CG 4.36Å; F239-F294 HydrophobicContact CE1-CB 3.77Å; F239-F294 HydrophobicContact CE2-CB 4.5Å; F239-F294 HydrophobicContact CG-CB 4.23Å; F239-F294 AromaticContact CG-CD2 3.86Å; F239-F294 HydrophobicContact CG-CD2 3.86Å; F239-F294 HydrophobicContact CZ-CB 4.13Å; F239-F294 VanDerWaalsContact CZ-N 3.31Å; L290-F294 WeakPolarHBondContact O-CB 3.48Å; L290-F294 PolarHBondContact O-N 3.13Å; L291-F294 WeakPolarHBondContact O-CB 3.4Å; L291-F294 PolarHBondContact O-N 3.27Å; A292-F294 VanDerWaalsContact C-N 3.31Å; A292-F294 PolarHBondContact O-N 2.85Å; F294-Y297 PolarHBondContact O-N 3.15Å; F294-Y298 AromaticContact CD2-CD2 3.84Å; F294-Y298 HydrophobicContact CD2-CD2 3.84Å; F294-Y298 AromaticContact CD2-CE2 3.77Å; F294-Y298 HydrophobicContact CD2-CE2 3.77Å; F294-Y298 HydrophobicContact CE1-CD2 4.32Å; F294-Y298 AromaticContact CE2-CD2 3.52Å; F294-Y298 HydrophobicContact CE2-CD2 3.52Å; F294-Y298 AromaticContact CE2-CE2 3.36Å; F294-Y298 HydrophobicContact CE2-CE2 3.36Å; F294-Y298 HydrophobicContact CG-CD2 4.36Å; F294-Y298 AromaticContact CZ-CD2 3.77Å; F294-Y298 HydrophobicContact CZ-CD2 3.77Å; F294-Y298 AromaticContact CZ-CE2 3.99Å; F294-Y298 HydrophobicContact CZ-CE2 3.99Å; F294-Y298 WeakPolarHBondContact O-CD2 3.43Å; F294-Y298 PolarHBondContact O-N 3.44Å; F294-Y298 VanDerWaalsContact O-N 3.08Å |
| 295 | F | 93.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.5 | -35.5 | 177.5 | -69.9 | -66.2 | 0 | 0 | 0 | 112.7 | L291 A292 G299 Y352 I353 A356 L360 M369 | L291-F295 HydrophobicContact CD1-CD2 4.23Å; L291-F295 HydrophobicContact CD1-CE2 3.56Å; L291-F295 HydrophobicContact CD1-CZ 4.3Å; L291-F295 HydrophobicContact CG-CD2 4.27Å; L291-F295 HydrophobicContact CG-CE2 3.85Å; L291-F295 WeakPolarHBondContact O-CD2 3.17Å; L291-F295 PolarHBondContact O-N 2.82Å; A292-F295 PolarHBondContact O-N 2.92Å; F295-G299 WeakPolarHBondContact O-CA 3.33Å; F295-G299 PolarHBondContact O-N 2.98Å; F295-Y352 HydrophobicContact CE1-CE1 4.03Å; F295-I353 HydrophobicContact CB-CG2 4.48Å; F295-I353 HydrophobicContact CD1-CB 4.46Å; F295-I353 HydrophobicContact CD1-CD1 3.68Å; F295-I353 HydrophobicContact CD1-CG2 4.16Å; F295-I353 HydrophobicContact CE1-CD1 3.82Å; F295-I353 VanDerWaalsContact O-CG2 3.26Å; F295-I353 WeakPolarHBondContact O-CG2 3.48Å; F295-A356 HydrophobicContact CD1-CB 3.65Å; F295-A356 HydrophobicContact CD2-CB 4.04Å; F295-A356 HydrophobicContact CE1-CB 3.74Å; F295-A356 HydrophobicContact CE2-CB 4.1Å; F295-A356 HydrophobicContact CG-CB 3.81Å; F295-A356 HydrophobicContact CZ-CB 3.97Å; F295-L360 HydrophobicContact CD2-CD1 3.5Å; F295-L360 HydrophobicContact CE2-CD1 3.77Å; F295-M369 HydrophobicContact CE2-SD 3.5Å; F295-M369 VanDerWaalsContact CE2-SD 3.5Å; F295-M369 HydrophobicContact CZ-SD 3.85Å |
| 296 | Y | 95.6 | Very high | 92.8 | Very high | 143 Ų | 143 | 38.9 Ų | 38.9 | 56% | 0.561 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -58.8 | -50.9 | 171.6 | 178.8 | -106.3 | 0 | 0 | 0 | 111.4 | A292 N293 G299 G300 Y357 | A292-Y296 PolarHBondContact O-N 3.33Å; N293-Y296 PolarHBondContact O-N 3.4Å; Y296-G299 PolarHBondContact O-N 3.01Å; Y296-G300 PolarHBondContact O-N 3.32Å; Y296-G300 VanDerWaalsContact O-N 3.14Å; Y296-Y357 HydrophobicContact CD2-CD1 4.31Å; Y296-Y357 AromaticContact CD2-CE1 3.76Å; Y296-Y357 HydrophobicContact CD2-CE1 3.76Å; Y296-Y357 AromaticContact CD2-CE2 3.99Å; Y296-Y357 HydrophobicContact CD2-CE2 3.99Å; Y296-Y357 AromaticContact CD2-CZ 3.57Å; Y296-Y357 HydrophobicContact CG-CE2 4.17Å |
| 297 | Y | 96.9 | Very high | 93.3 | Very high | 48 Ų | 48 | 37.8 Ų | 37.8 | 19% | 0.188 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.6 | -54.9 | -179.2 | -177.3 | -95.4 | 0 | 0 | 0 | 111 | H238 F239 G243 N293 F294 G299 G300 F301 | H238-Y297 PolarHBondContact CE1-OH 3.21Å; F239-Y297 HydrophobicContact CD2-CD1 4.04Å; F239-Y297 HydrophobicContact CD2-CD2 4.36Å; F239-Y297 AromaticContact CD2-CG 3.8Å; F239-Y297 HydrophobicContact CD2-CG 3.8Å; F239-Y297 HydrophobicContact CE2-CG 4.27Å; G243-Y297 VanDerWaalsContact CA-CE2 3.46Å; N293-Y297 WeakPolarHBondContact O-CB 3.44Å; N293-Y297 PolarHBondContact O-N 3.01Å; F294-Y297 PolarHBondContact O-N 3.15Å; Y297-G299 VanDerWaalsContact C-N 3.34Å; Y297-G299 PolarHBondContact O-N 3.14Å; Y297-G300 PolarHBondContact O-N 3.3Å; Y297-F301 HydrophobicContact CD1-CD2 4.22Å; Y297-F301 AromaticContact CE1-CD2 3.55Å; Y297-F301 HydrophobicContact CE1-CD2 3.55Å; Y297-F301 AromaticContact CE1-CE2 3.84Å; Y297-F301 HydrophobicContact CE1-CE2 3.84Å; Y297-F301 AromaticContact CZ-CD2 3.9Å; Y297-F301 WeakPolarHBondContact O-CB 3.48Å; Y297-F301 PolarHBondContact O-N 3.36Å |
| 298 | Y | 95 | Very high | 93.8 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -74.3 | -21.5 | -179.5 | -73.6 | -60.8 | 0 | 0 | 0 | 114.2 | L235 H238 F239 F294 G300 F301 F303 I308 | L235-Y298 HydrophobicContact CB-CE2 3.88Å; L235-Y298 HydrophobicContact CD2-CE1 3.83Å; L235-Y298 HydrophobicContact CD2-CE2 4.36Å; L235-Y298 PolarHBondContact O-OH 3.4Å; H238-Y298 PolarHBondContact ND1-OH 3.26Å; H238-Y298 VanDerWaalsContact ND1-OH 3.11Å; F239-Y298 HydrophobicContact CB-CE2 3.96Å; F294-Y298 AromaticContact CD2-CD2 3.84Å; F294-Y298 HydrophobicContact CD2-CD2 3.84Å; F294-Y298 AromaticContact CD2-CE2 3.77Å; F294-Y298 HydrophobicContact CD2-CE2 3.77Å; F294-Y298 HydrophobicContact CE1-CD2 4.32Å; F294-Y298 AromaticContact CE2-CD2 3.52Å; F294-Y298 HydrophobicContact CE2-CD2 3.52Å; F294-Y298 AromaticContact CE2-CE2 3.36Å; F294-Y298 HydrophobicContact CE2-CE2 3.36Å; F294-Y298 HydrophobicContact CG-CD2 4.36Å; F294-Y298 AromaticContact CZ-CD2 3.77Å; F294-Y298 HydrophobicContact CZ-CD2 3.77Å; F294-Y298 AromaticContact CZ-CE2 3.99Å; F294-Y298 HydrophobicContact CZ-CE2 3.99Å; F294-Y298 WeakPolarHBondContact O-CD2 3.43Å; F294-Y298 PolarHBondContact O-N 3.44Å; F294-Y298 VanDerWaalsContact O-N 3.08Å; Y298-G300 VanDerWaalsContact C-N 3.33Å; Y298-F301 HydrophobicContact CD1-CB 4.05Å; Y298-F301 HydrophobicContact CD1-CD2 4.22Å; Y298-F301 HydrophobicContact CD1-CG 4.03Å; Y298-F301 HydrophobicContact CE1-CD2 4.2Å; Y298-F301 HydrophobicContact CE1-CE2 4.44Å; Y298-F301 HydrophobicContact CE1-CG 4.36Å; Y298-F301 PolarHBondContact O-N 2.89Å; Y298-F303 HydrophobicContact CD1-CE1 4.11Å; Y298-F303 AromaticContact CD1-CZ 3.8Å; Y298-F303 HydrophobicContact CD1-CZ 3.8Å; Y298-F303 WeakPolarHBondContact O-CE2 3.05Å; Y298-I308 HydrophobicContact CE1-CD1 3.66Å; Y298-I308 HydrophobicContact CE1-CG1 4.45Å |
| 299 | G | 93.7 | Very high | 94.3 | Very high | 10 Ų | 10 | 37.6 Ų | 37.6 | 10% | 0.103 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.9 | -29.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F295 Y296 Y297 I353 R354 | F295-G299 WeakPolarHBondContact O-CA 3.33Å; F295-G299 PolarHBondContact O-N 2.98Å; Y296-G299 PolarHBondContact O-N 3.01Å; Y297-G299 VanDerWaalsContact C-N 3.34Å; Y297-G299 PolarHBondContact O-N 3.14Å; G299-I353 VanDerWaalsContact N-CG2 3.25Å; G299-R354 PolarHBondContact O-NE 3.43Å; G299-R354 PolarHBondContact O-NH2 3.4Å |
| 300 | G | 94.5 | Very high | 94.6 | Very high | 66 Ų | 66 | 33.6 Ų | 33.6 | 68% | 0.68 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -98 | -4.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y296 Y297 Y298 | Y296-G300 PolarHBondContact O-N 3.32Å; Y296-G300 VanDerWaalsContact O-N 3.14Å; Y297-G300 PolarHBondContact O-N 3.3Å; Y298-G300 VanDerWaalsContact C-N 3.33Å |
| 301 | F | 96.5 | Very high | 94.8 | Very high | 18 Ų | 18 | 36.8 Ų | 36.8 | 8% | 0.079 | 19% | 0.189 | C | C | . | . | trans | -68.1 | 135.9 | -171.4 | -170.2 | -90.3 | 0 | 0 | 0 | 113.4 | Y297 Y298 F303 I308 L315 | Y297-F301 HydrophobicContact CD1-CD2 4.22Å; Y297-F301 AromaticContact CE1-CD2 3.55Å; Y297-F301 HydrophobicContact CE1-CD2 3.55Å; Y297-F301 AromaticContact CE1-CE2 3.84Å; Y297-F301 HydrophobicContact CE1-CE2 3.84Å; Y297-F301 AromaticContact CZ-CD2 3.9Å; Y297-F301 WeakPolarHBondContact O-CB 3.48Å; Y297-F301 PolarHBondContact O-N 3.36Å; Y298-F301 HydrophobicContact CD1-CB 4.05Å; Y298-F301 HydrophobicContact CD1-CD2 4.22Å; Y298-F301 HydrophobicContact CD1-CG 4.03Å; Y298-F301 HydrophobicContact CE1-CD2 4.2Å; Y298-F301 HydrophobicContact CE1-CE2 4.44Å; Y298-F301 HydrophobicContact CE1-CG 4.36Å; Y298-F301 PolarHBondContact O-N 2.89Å; F301-F303 HydrophobicContact CB-CD2 4.36Å; F301-F303 HydrophobicContact CB-CE2 3.94Å; F301-F303 HydrophobicContact CB-CZ 4.09Å; F301-F303 HydrophobicContact CD1-CB 4.31Å; F301-F303 AromaticContact CD1-CD1 3.44Å; F301-F303 HydrophobicContact CD1-CD1 3.44Å; F301-F303 VanDerWaalsContact CD1-CD1 3.44Å; F301-F303 AromaticContact CD1-CD2 3.89Å; F301-F303 HydrophobicContact CD1-CD2 3.89Å; F301-F303 AromaticContact CD1-CE1 3.58Å; F301-F303 HydrophobicContact CD1-CE1 3.58Å; F301-F303 HydrophobicContact CD1-CE2 4.02Å; F301-F303 AromaticContact CD1-CG 3.62Å; F301-F303 HydrophobicContact CD1-CG 3.62Å; F301-F303 AromaticContact CD1-CZ 3.87Å; F301-F303 HydrophobicContact CD1-CZ 3.87Å; F301-F303 AromaticContact CE1-CD1 3.75Å; F301-F303 HydrophobicContact CE1-CD1 3.75Å; F301-F303 HydrophobicContact CE1-CE1 4.07Å; F301-F303 HydrophobicContact CE1-CG 4.19Å; F301-F303 HydrophobicContact CG-CE1 4.35Å; F301-F303 HydrophobicContact CG-CE2 4.43Å; F301-F303 HydrophobicContact CG-CZ 4.29Å; F301-F303 WeakPolarHBondContact O-CD2 3.4Å; F301-F303 PolarHBondContact O-N 3.3Å; F301-F303 VanDerWaalsContact O-N 3.14Å; F301-I308 HydrophobicContact CE1-CD1 3.97Å; F301-I308 HydrophobicContact CE1-CG1 4.05Å; F301-I308 HydrophobicContact CE2-CG1 4.34Å; F301-I308 HydrophobicContact CZ-CD1 3.97Å; F301-I308 HydrophobicContact CZ-CG1 3.6Å; F301-L315 HydrophobicContact CE2-CD1 4.34Å; F301-L315 HydrophobicContact CE2-CD2 3.58Å; F301-L315 HydrophobicContact CZ-CD2 3.59Å | ||
| 302 | D | 95.3 | Very high | 95 | Very high | 81 Ų | 81 | 39.2 Ų | 39.2 | 43% | 0.433 | 20% | 0.202 | S | C | . | . | trans | -85.9 | 79 | 175.6 | -172.2 | -4.1 | 0 | 0 | 0 | 111.2 | G304 R305 Y306 | D302-G304 PolarHBondContact O-N 3.29Å; D302-G304 WeakPolarHBondContact OD1-CA 3.46Å; D302-G304 PolarHBondContact OD1-N 3.08Å; D302-R305 HydrophobicContact CB-CB 4.33Å; D302-R305 VanDerWaalsContact CG-CB 3.47Å; D302-R305 PolarHBondContact O-N 2.98Å; D302-R305 PolarHBondContact OD1-N 3.47Å; D302-R305 VanDerWaalsContact OD1-N 3.14Å; D302-R305 WeakPolarHBondContact OD2-CB 3.37Å; D302-Y306 HydrophobicContact CB-CD2 4.22Å; D302-Y306 HydrophobicContact CB-CE2 4.44Å; D302-Y306 PolarHBondContact O-N 3.18Å | ||
| 303 | F | 93.5 | Very high | 95.2 | Very high | 7 Ų | 7 | 39.6 Ų | 39.6 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -19.1 | 173.9 | -63.5 | -77.8 | 0 | 0 | 0 | 112.9 | Y298 F301 I308 R318 P324 I325 F346 F349 | Y298-F303 HydrophobicContact CD1-CE1 4.11Å; Y298-F303 AromaticContact CD1-CZ 3.8Å; Y298-F303 HydrophobicContact CD1-CZ 3.8Å; Y298-F303 WeakPolarHBondContact O-CE2 3.05Å; F301-F303 HydrophobicContact CB-CD2 4.36Å; F301-F303 HydrophobicContact CB-CE2 3.94Å; F301-F303 HydrophobicContact CB-CZ 4.09Å; F301-F303 HydrophobicContact CD1-CB 4.31Å; F301-F303 AromaticContact CD1-CD1 3.44Å; F301-F303 HydrophobicContact CD1-CD1 3.44Å; F301-F303 VanDerWaalsContact CD1-CD1 3.44Å; F301-F303 AromaticContact CD1-CD2 3.89Å; F301-F303 HydrophobicContact CD1-CD2 3.89Å; F301-F303 AromaticContact CD1-CE1 3.58Å; F301-F303 HydrophobicContact CD1-CE1 3.58Å; F301-F303 HydrophobicContact CD1-CE2 4.02Å; F301-F303 AromaticContact CD1-CG 3.62Å; F301-F303 HydrophobicContact CD1-CG 3.62Å; F301-F303 AromaticContact CD1-CZ 3.87Å; F301-F303 HydrophobicContact CD1-CZ 3.87Å; F301-F303 AromaticContact CE1-CD1 3.75Å; F301-F303 HydrophobicContact CE1-CD1 3.75Å; F301-F303 HydrophobicContact CE1-CE1 4.07Å; F301-F303 HydrophobicContact CE1-CG 4.19Å; F301-F303 HydrophobicContact CG-CE1 4.35Å; F301-F303 HydrophobicContact CG-CE2 4.43Å; F301-F303 HydrophobicContact CG-CZ 4.29Å; F301-F303 WeakPolarHBondContact O-CD2 3.4Å; F301-F303 PolarHBondContact O-N 3.3Å; F301-F303 VanDerWaalsContact O-N 3.14Å; F303-I308 HydrophobicContact CE1-CD1 4.12Å; F303-R318 WeakPolarHBondContact O-CD 3.38Å; F303-P324 WeakPolarHBondContact CB-O 3.47Å; F303-I325 HydrophobicContact CD1-CB 4.17Å; F303-I325 HydrophobicContact CD1-CD1 3.81Å; F303-I325 HydrophobicContact CD1-CG1 3.69Å; F303-I325 HydrophobicContact CE1-CD1 3.51Å; F303-I325 HydrophobicContact CE1-CG1 3.93Å; F303-I325 HydrophobicContact CZ-CD1 4.36Å; F303-F346 HydrophobicContact CB-CE2 4.11Å; F303-F346 HydrophobicContact CB-CZ 3.95Å; F303-F346 AromaticContact CD2-CE2 3.78Å; F303-F346 HydrophobicContact CD2-CE2 3.78Å; F303-F346 AromaticContact CD2-CZ 3.76Å; F303-F346 HydrophobicContact CD2-CZ 3.76Å; F303-F346 HydrophobicContact CE2-CE2 4.34Å; F303-F346 AromaticContact CG-CE2 3.89Å; F303-F346 HydrophobicContact CG-CE2 3.89Å; F303-F346 HydrophobicContact CG-CZ 4.05Å; F303-F349 HydrophobicContact CE2-CE1 4.45Å; F303-F349 HydrophobicContact CZ-CE1 4.01Å |
| 304 | G | 92.9 | Very high | 95.4 | Very high | 38 Ų | 38 | 39.4 Ų | 39.4 | 39% | 0.392 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -34 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D302 R318 | D302-G304 PolarHBondContact O-N 3.29Å; D302-G304 WeakPolarHBondContact OD1-CA 3.46Å; D302-G304 PolarHBondContact OD1-N 3.08Å; G304-R318 WeakPolarHBondContact O-CD 3.04Å; G304-R318 PolarHBondContact O-NH1 2.67Å |
| 305 | R | 95.5 | Very high | 95.6 | Very high | 154 Ų | 154 | 42.1 Ų | 42.1 | 58% | 0.581 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -28.8 | -172 | -175.5 | 173.4 | -179.9 | -176.9 | -0.2 | 114.7 | D302 R318 | D302-R305 HydrophobicContact CB-CB 4.33Å; D302-R305 VanDerWaalsContact CG-CB 3.47Å; D302-R305 PolarHBondContact O-N 2.98Å; D302-R305 PolarHBondContact OD1-N 3.47Å; D302-R305 VanDerWaalsContact OD1-N 3.14Å; D302-R305 WeakPolarHBondContact OD2-CB 3.37Å; R305-R318 VanDerWaalsContact O-CB 3.24Å; R305-R318 WeakPolarHBondContact O-CB 3.46Å; R305-R318 PolarHBondContact O-N 2.8Å |
| 306 | Y | 97 | Very high | 95.7 | Very high | 67 Ų | 67 | 44.3 Ų | 44.3 | 26% | 0.263 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 143.2 | -169.1 | -61 | -71.2 | 0 | 0 | 0 | 113.7 | D302 L315 L316 | D302-Y306 HydrophobicContact CB-CD2 4.22Å; D302-Y306 HydrophobicContact CB-CE2 4.44Å; D302-Y306 PolarHBondContact O-N 3.18Å; Y306-L315 HydrophobicContact CD1-CB 3.81Å; Y306-L315 HydrophobicContact CD1-CD1 4.18Å; Y306-L315 HydrophobicContact CD2-CD1 4.27Å; Y306-L315 HydrophobicContact CE1-CB 4.44Å; Y306-L315 HydrophobicContact CE1-CD1 4.48Å; Y306-L315 HydrophobicContact CG-CB 4.21Å; Y306-L315 HydrophobicContact CG-CD1 4.06Å; Y306-L316 CarbonylContact C-O 3.39Å; Y306-L316 WeakPolarHBondContact CA-O 3.21Å |
| 307 | T | 96.1 | Very high | 95.7 | Very high | 15 Ų | 15 | 42 Ų | 42 | 9% | 0.092 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 132.3 | 163.5 | -66.9 | 0 | 0 | 0 | 0 | 108.8 | L316 S326 E328 | T307-L316 PolarHBondContact N-O 3.32Å; T307-L316 PolarHBondContact O-N 2.96Å; T307-S326 VanDerWaalsContact CG2-OG 3.3Å; T307-S326 WeakPolarHBondContact CG2-OG 3.32Å; T307-S326 WeakPolarHBondContact OG1-CB 3.29Å; T307-S326 PolarHBondContact OG1-OG 3.04Å; T307-E328 HydrophobicContact CG2-CB 3.91Å |
| 308 | I | 96.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 123.3 | 178.7 | -70.1 | 156.8 | 0 | 0 | 0 | 109.1 | L235 H238 Y298 F301 F303 S326 I327 E328 | L235-I308 HydrophobicContact CD2-CD1 3.5Å; L235-I308 VanDerWaalsContact CD2-CD1 3.5Å; L235-I308 HydrophobicContact CD2-CG2 4.48Å; H238-I308 HydrophobicContact CB-CG2 3.66Å; H238-I308 VanDerWaalsContact CG-CG2 3.49Å; Y298-I308 HydrophobicContact CE1-CD1 3.66Å; Y298-I308 HydrophobicContact CE1-CG1 4.45Å; F301-I308 HydrophobicContact CE1-CD1 3.97Å; F301-I308 HydrophobicContact CE1-CG1 4.05Å; F301-I308 HydrophobicContact CE2-CG1 4.34Å; F301-I308 HydrophobicContact CZ-CD1 3.97Å; F301-I308 HydrophobicContact CZ-CG1 3.6Å; F303-I308 HydrophobicContact CE1-CD1 4.12Å; I308-S326 PolarHBondContact N-O 3.06Å; I308-I327 HydrophobicContact CD1-CG1 4.23Å; I308-I327 HydrophobicContact CG2-CG2 4.3Å; I308-E328 WeakPolarHBondContact O-CB 3.44Å; I308-E328 PolarHBondContact O-N 3.08Å |
| 309 | S | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 108.8 | -179.4 | -179 | 0 | 0 | 0 | 0 | 112.3 | R311 L312 G313 S314 E328 | S309-R311 VanDerWaalsContact C-N 3.29Å; S309-R311 PolarHBondContact OG-N 3.1Å; S309-L312 PolarHBondContact OG-N 3.48Å; S309-L312 VanDerWaalsContact OG-N 3.17Å; S309-G313 PolarHBondContact O-N 2.99Å; S309-G313 VanDerWaalsContact O-N 3.1Å; S309-S314 WeakPolarHBondContact CB-O 3.34Å; S309-S314 PolarHBondContact N-O 3.47Å; S309-S314 PolarHBondContact O-N 2.59Å; S309-E328 WeakPolarHBondContact CB-OE2 3.42Å; S309-E328 PolarHBondContact OG-OE2 2.79Å |
| 310 | V | 96.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -31.2 | 169.4 | 168 | 0 | 0 | 0 | 0 | 111.3 | L204 Y208 L234 I237 H238 Q241 L312 G313 P330 | L204-V310 HydrophobicContact CD2-CG1 4.44Å; Y208-V310 HydrophobicContact CE2-CG1 3.8Å; L234-V310 HydrophobicContact CB-CG2 4.2Å; L234-V310 HydrophobicContact CD2-CB 4.42Å; L234-V310 HydrophobicContact CD2-CG2 3.97Å; L234-V310 WeakPolarHBondContact O-CG2 3.19Å; I237-V310 HydrophobicContact CB-CG2 4.08Å; I237-V310 HydrophobicContact CG2-CB 4.41Å; I237-V310 HydrophobicContact CG2-CG1 3.63Å; I237-V310 HydrophobicContact CG2-CG2 3.93Å; H238-V310 HydrophobicContact CB-CG2 4.11Å; Q241-V310 PolarHBondContact NE2-O 2.96Å; Q241-V310 PolarHBondContact OE1-O 3.26Å; V310-L312 VanDerWaalsContact C-N 3.3Å; V310-L312 PolarHBondContact O-N 3.47Å; V310-G313 PolarHBondContact O-N 3.31Å; V310-P330 HydrophobicContact CB-CG 4.32Å; V310-P330 HydrophobicContact CG1-CG 4.47Å |
| 311 | R | 95.4 | Very high | 94.3 | Very high | 69 Ų | 69 | 55.7 Ų | 55.7 | 26% | 0.26 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -35.8 | -179.6 | 175.5 | 179.3 | 60.1 | 77.8 | 0.8 | 113 | C251 S309 E328 P330 | C251-R311 PolarHBondContact SG-O 3.07Å; S309-R311 VanDerWaalsContact C-N 3.29Å; S309-R311 PolarHBondContact OG-N 3.1Å; R311-E328 IonicContact CZ-OE1 3.1Å; R311-E328 IonicContact CZ-OE2 3.55Å; R311-E328 IonicContact NE-OE1 2.7Å; R311-E328 IonicContact NE-OE2 3.27Å; R311-E328 PolarHBondContact NE-OE2 2.75Å; R311-E328 IonicContact NH2-OE1 2.67Å; R311-E328 PolarHBondContact NH2-OE1 3.37Å; R311-E328 IonicContact NH2-OE2 3.54Å; R311-E328 PolarHBondContact NH2-OE2 2.97Å; R311-P330 WeakPolarHBondContact CD-O 3.03Å |
| 312 | L | 95.8 | Very high | 93.8 | Very high | 50 Ų | 50 | 58.4 Ų | 58.4 | 26% | 0.262 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -4.1 | 178.5 | -61.8 | 177.2 | 0 | 0 | 0 | 112.9 | S309 V310 S314 L316 | S309-L312 PolarHBondContact OG-N 3.48Å; S309-L312 VanDerWaalsContact OG-N 3.17Å; V310-L312 VanDerWaalsContact C-N 3.3Å; V310-L312 PolarHBondContact O-N 3.47Å; L312-S314 WeakPolarHBondContact CB-OG 3.27Å; L312-S314 PolarHBondContact O-N 2.98Å; L312-S314 PolarHBondContact O-OG 3.48Å; L312-L316 HydrophobicContact CD1-CD1 3.97Å; L312-L316 HydrophobicContact CD1-CD2 3.47Å; L312-L316 VanDerWaalsContact CD1-CD2 3.47Å; L312-L316 HydrophobicContact CD1-CG 3.88Å |
| 313 | G | 95.5 | Very high | 93.4 | Very high | 13 Ų | 13 | 55 Ų | 55 | 13% | 0.134 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 32.2 | -173 | 0 | 0 | 0 | 0 | 0 | 113.1 | C242 S309 V310 | C242-G313 WeakPolarHBondContact CB-O 3.31Å; S309-G313 PolarHBondContact O-N 2.99Å; S309-G313 VanDerWaalsContact O-N 3.1Å; V310-G313 PolarHBondContact O-N 3.31Å |
| 314 | S | 96.9 | Very high | 93.2 | Very high | 45 Ų | 45 | 55.5 Ų | 55.5 | 32% | 0.315 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 178.1 | -169.8 | 60.4 | 0 | 0 | 0 | 0 | 112.2 | S309 L312 | S309-S314 WeakPolarHBondContact CB-O 3.34Å; S309-S314 PolarHBondContact N-O 3.47Å; S309-S314 PolarHBondContact O-N 2.59Å; L312-S314 WeakPolarHBondContact CB-OG 3.27Å; L312-S314 PolarHBondContact O-N 2.98Å; L312-S314 PolarHBondContact O-OG 3.48Å |
| 315 | L | 96.9 | Very high | 93.1 | Very high | 58 Ų | 58 | 53.7 Ų | 53.7 | 30% | 0.304 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 132 | 176.9 | -59.1 | 176.9 | 0 | 0 | 0 | 110.6 | H238 F301 Y306 | H238-L315 VanDerWaalsContact NE2-CD2 3.31Å; H238-L315 WeakPolarHBondContact NE2-CD2 3.4Å; F301-L315 HydrophobicContact CE2-CD1 4.34Å; F301-L315 HydrophobicContact CE2-CD2 3.58Å; F301-L315 HydrophobicContact CZ-CD2 3.59Å; Y306-L315 HydrophobicContact CD1-CB 3.81Å; Y306-L315 HydrophobicContact CD1-CD1 4.18Å; Y306-L315 HydrophobicContact CD2-CD1 4.27Å; Y306-L315 HydrophobicContact CE1-CB 4.44Å; Y306-L315 HydrophobicContact CE1-CD1 4.48Å; Y306-L315 HydrophobicContact CG-CB 4.21Å; Y306-L315 HydrophobicContact CG-CD1 4.06Å |
| 316 | L | 96.1 | Very high | 93 | Very high | 45 Ų | 45 | 46.7 Ų | 46.7 | 24% | 0.236 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 145.1 | 168.9 | -74.1 | 175.1 | 0 | 0 | 0 | 110.2 | Y306 T307 L312 R318 | Y306-L316 CarbonylContact C-O 3.39Å; Y306-L316 WeakPolarHBondContact CA-O 3.21Å; T307-L316 PolarHBondContact N-O 3.32Å; T307-L316 PolarHBondContact O-N 2.96Å; L312-L316 HydrophobicContact CD1-CD1 3.97Å; L312-L316 HydrophobicContact CD1-CD2 3.47Å; L312-L316 VanDerWaalsContact CD1-CD2 3.47Å; L312-L316 HydrophobicContact CD1-CG 3.88Å; L316-R318 PolarHBondContact O-N 3.07Å |
| 317 | P | 96 | Very high | 92.8 | Very high | 95 Ų | 95 | 43.6 Ų | 43.6 | 62% | 0.617 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 136.6 | 166 | -21.7 | 33.2 | 0 | 0 | 0 | 110.4 | ||
| 318 | R | 92.2 | Very high | 92.8 | Very high | 33 Ų | 33 | 43.5 Ų | 43.5 | 13% | 0.125 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -73.4 | 129.4 | 179 | -171.7 | 155.6 | 168.3 | -118.7 | 6.1 | 111.1 | F303 G304 R305 L316 E320 F321 T323 | F303-R318 WeakPolarHBondContact O-CD 3.38Å; G304-R318 WeakPolarHBondContact O-CD 3.04Å; G304-R318 PolarHBondContact O-NH1 2.67Å; R305-R318 VanDerWaalsContact O-CB 3.24Å; R305-R318 WeakPolarHBondContact O-CB 3.46Å; R305-R318 PolarHBondContact O-N 2.8Å; L316-R318 PolarHBondContact O-N 3.07Å; R318-E320 WeakPolarHBondContact CG-O 3.28Å; R318-E320 PolarHBondContact NE-O 3.04Å; R318-F321 HydrophobicContact CB-CE1 4.4Å; R318-F321 HydrophobicContact CB-CZ 4.36Å; R318-F321 HydrophobicContact CG-CD1 4.41Å; R318-F321 HydrophobicContact CG-CE1 4.03Å; R318-F321 HydrophobicContact CG-CZ 4.21Å; R318-F321 VanDerWaalsContact NH1-CD1 3.28Å; R318-T323 PolarHBondContact NH2-O 3.05Å |
| 319 | I | 89 | Confident | 92.6 | Very high | 152 Ų | 152 | 44.6 Ų | 44.6 | 78% | 0.779 | 24% | 0.238 | S | C | * | . | trans | -113.8 | -33.4 | 179.7 | -59.1 | 172.5 | 0 | 0 | 0 | 110.9 | ||||
| 320 | E | 84.5 | Confident | 92.5 | Very high | 90 Ų | 90 | 44.7 Ų | 44.7 | 42% | 0.421 | 24% | 0.238 | S | C | . | . | trans | -103.6 | 125.9 | 178.3 | -170.4 | -178.1 | 178.2 | 0 | 0 | 111.4 | R318 S322 | R318-E320 WeakPolarHBondContact CG-O 3.28Å; R318-E320 PolarHBondContact NE-O 3.04Å; E320-S322 VanDerWaalsContact CD-OG 3.26Å; E320-S322 WeakPolarHBondContact CG-OG 3.4Å; E320-S322 WeakPolarHBondContact OE1-CB 3.38Å; E320-S322 PolarHBondContact OE1-OG 3.43Å | ||
| 321 | F | 86.1 | Confident | 92.2 | Very high | 137 Ų | 137 | 45.9 Ų | 45.9 | 60% | 0.601 | 24% | 0.243 | S | C | * | . | trans | -110.2 | 8.2 | -176.5 | -61.8 | -89.7 | 0 | 0 | 0 | 113.8 | R318 T323 | R318-F321 HydrophobicContact CB-CE1 4.4Å; R318-F321 HydrophobicContact CB-CZ 4.36Å; R318-F321 HydrophobicContact CG-CD1 4.41Å; R318-F321 HydrophobicContact CG-CE1 4.03Å; R318-F321 HydrophobicContact CG-CZ 4.21Å; R318-F321 VanDerWaalsContact NH1-CD1 3.28Å; F321-T323 PolarHBondContact O-N 3.25Å | ||
| 322 | S | 84.7 | Confident | 91.9 | Very high | 75 Ų | 75 | 44.9 Ų | 44.9 | 52% | 0.524 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -66.1 | -18.2 | -177.2 | 66.3 | 0 | 0 | 0 | 0 | 114.3 | E320 | E320-S322 VanDerWaalsContact CD-OG 3.26Å; E320-S322 WeakPolarHBondContact CG-OG 3.4Å; E320-S322 WeakPolarHBondContact OE1-CB 3.38Å; E320-S322 PolarHBondContact OE1-OG 3.43Å |
| 323 | T | 87.2 | Confident | 91.5 | Very high | 10 Ų | 10 | 45.7 Ų | 45.7 | 6% | 0.061 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -141.1 | 136.8 | -174.2 | 47.2 | 0 | 0 | 0 | 0 | 109.2 | R318 F321 I325 N335 | R318-T323 PolarHBondContact NH2-O 3.05Å; F321-T323 PolarHBondContact O-N 3.25Å; T323-I325 PolarHBondContact O-N 3.23Å; T323-I325 VanDerWaalsContact O-N 3.13Å; T323-I325 PolarHBondContact OG1-O 3.07Å; T323-N335 PolarHBondContact OG1-ND2 3.12Å |
| 324 | P | 89.1 | Confident | 91.2 | Very high | 17 Ų | 17 | 47.9 Ų | 47.9 | 11% | 0.11 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -66.2 | -17.8 | -171.6 | 26.3 | -35.8 | 0 | 0 | 0 | 114.5 | F303 L340 F346 | F303-P324 WeakPolarHBondContact CB-O 3.47Å; P324-L340 WeakPolarHBondContact CD-O 3.47Å; P324-L340 WeakPolarHBondContact CG-O 3.08Å; P324-F346 HydrophobicContact CB-CB 3.9Å; P324-F346 HydrophobicContact CB-CD1 3.65Å; P324-F346 HydrophobicContact CB-CD2 3.98Å; P324-F346 HydrophobicContact CB-CE1 4.14Å; P324-F346 HydrophobicContact CB-CE2 4.44Å; P324-F346 HydrophobicContact CB-CG 3.55Å; P324-F346 HydrophobicContact CG-CB 3.43Å; P324-F346 VanDerWaalsContact CG-CB 3.43Å; P324-F346 HydrophobicContact CG-CD1 4.19Å; P324-F346 HydrophobicContact CG-CD2 4.1Å; P324-F346 HydrophobicContact CG-CG 3.65Å |
| 325 | I | 90.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -125.4 | 138.4 | 177.1 | 177 | 164.8 | 0 | 0 | 0 | 109.8 | F303 T323 I327 N335 A337 L340 F346 F349 | F303-I325 HydrophobicContact CD1-CB 4.17Å; F303-I325 HydrophobicContact CD1-CD1 3.81Å; F303-I325 HydrophobicContact CD1-CG1 3.69Å; F303-I325 HydrophobicContact CE1-CD1 3.51Å; F303-I325 HydrophobicContact CE1-CG1 3.93Å; F303-I325 HydrophobicContact CZ-CD1 4.36Å; T323-I325 PolarHBondContact O-N 3.23Å; T323-I325 VanDerWaalsContact O-N 3.13Å; T323-I325 PolarHBondContact OG1-O 3.07Å; I325-I327 HydrophobicContact CD1-CD1 3.99Å; I325-I327 HydrophobicContact CD1-CG1 4.16Å; I325-I327 HydrophobicContact CG1-CD1 4.34Å; I325-I327 HydrophobicContact CG1-CG1 4.03Å; I325-N335 PolarHBondContact O-ND2 3Å; I325-A337 HydrophobicContact CB-CB 4.45Å; I325-A337 HydrophobicContact CG1-CB 4.15Å; I325-A337 HydrophobicContact CG2-CB 3.66Å; I325-L340 HydrophobicContact CG2-CB 3.66Å; I325-L340 HydrophobicContact CG2-CD1 3.94Å; I325-L340 HydrophobicContact CG2-CG 4.47Å; I325-F346 HydrophobicContact CB-CD2 4.37Å; I325-F346 HydrophobicContact CB-CE2 4.35Å; I325-F349 HydrophobicContact CD1-CE1 4.23Å | ||
| 326 | S | 93.4 | Very high | 90.3 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 6% | 0.056 | 24% | 0.24 | C | C | . | . | trans | -125.3 | 112.2 | 178.8 | -174.1 | 0 | 0 | 0 | 0 | 110.7 | T307 I308 | T307-S326 VanDerWaalsContact CG2-OG 3.3Å; T307-S326 WeakPolarHBondContact CG2-OG 3.32Å; T307-S326 WeakPolarHBondContact OG1-CB 3.29Å; T307-S326 PolarHBondContact OG1-OG 3.04Å; I308-S326 PolarHBondContact N-O 3.06Å | ||
| 327 | I | 94.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 112.8 | 174.8 | -53.7 | 172 | 0 | 0 | 0 | 106.9 | L234 L235 I308 I325 N335 T336 A337 | L234-I327 HydrophobicContact CB-CG2 3.87Å; L234-I327 HydrophobicContact CD1-CG2 3.79Å; L235-I327 HydrophobicContact CD1-CD1 4.28Å; L235-I327 HydrophobicContact CD2-CD1 3.54Å; L235-I327 HydrophobicContact CD2-CG1 3.95Å; L235-I327 HydrophobicContact CG-CD1 3.81Å; I308-I327 HydrophobicContact CD1-CG1 4.23Å; I308-I327 HydrophobicContact CG2-CG2 4.3Å; I325-I327 HydrophobicContact CD1-CD1 3.99Å; I325-I327 HydrophobicContact CD1-CG1 4.16Å; I325-I327 HydrophobicContact CG1-CD1 4.34Å; I325-I327 HydrophobicContact CG1-CG1 4.03Å; I327-N335 PolarHBondContact N-OD1 3.42Å; I327-N335 WeakPolarHBondContact O-CA 3.37Å; I327-N335 PolarHBondContact O-OD1 3.14Å; I327-T336 HydrophobicContact CB-CG2 3.65Å; I327-T336 HydrophobicContact CD1-CG2 4.45Å; I327-T336 HydrophobicContact CG2-CG2 3.65Å; I327-T336 PolarHBondContact O-N 3.37Å; I327-A337 HydrophobicContact CB-CB 4.39Å; I327-A337 HydrophobicContact CD1-CB 3.91Å; I327-A337 HydrophobicContact CG1-CB 4.05Å |
| 328 | E | 94.9 | Very high | 88.5 | Confident | 13 Ų | 13 | 42.7 Ų | 42.7 | 6% | 0.061 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 128.7 | -179.2 | -172.8 | -173.4 | -137.5 | 0 | 0 | 111 | T307 I308 S309 R311 C333 | T307-E328 HydrophobicContact CG2-CB 3.91Å; I308-E328 WeakPolarHBondContact O-CB 3.44Å; I308-E328 PolarHBondContact O-N 3.08Å; S309-E328 WeakPolarHBondContact CB-OE2 3.42Å; S309-E328 PolarHBondContact OG-OE2 2.79Å; R311-E328 IonicContact CZ-OE1 3.1Å; R311-E328 IonicContact CZ-OE2 3.55Å; R311-E328 IonicContact NE-OE1 2.7Å; R311-E328 IonicContact NE-OE2 3.27Å; R311-E328 PolarHBondContact NE-OE2 2.75Å; R311-E328 IonicContact NH2-OE1 2.67Å; R311-E328 PolarHBondContact NH2-OE1 3.37Å; R311-E328 IonicContact NH2-OE2 3.54Å; R311-E328 PolarHBondContact NH2-OE2 2.97Å; E328-C333 HydrophobicContact CG-CB 4.25Å |
| 329 | E | 92.4 | Very high | 87.5 | Confident | 25 Ų | 25 | 43.5 Ų | 43.5 | 12% | 0.117 | 23% | 0.227 | C | C | . | . | trans | -66.2 | 124.7 | 165.6 | -75.9 | -73.2 | -177.2 | 0 | 0 | 110.7 | N201 Y230 Y331 D332 C333 M334 T336 | N201-E329 PolarHBondContact ND2-OE2 3.35Å; Y230-E329 WeakPolarHBondContact CE1-OE1 3.19Å; Y230-E329 WeakPolarHBondContact CE1-OE2 3.43Å; Y230-E329 VanDerWaalsContact CZ-OE2 3.26Å; Y230-E329 PolarHBondContact OH-OE2 2.78Å; E329-Y331 PolarHBondContact O-N 3.11Å; E329-D332 WeakPolarHBondContact CB-OD1 3.33Å; E329-D332 VanDerWaalsContact CG-OD1 3.3Å; E329-D332 WeakPolarHBondContact CG-OD1 3.35Å; E329-C333 WeakPolarHBondContact O-CA 3.25Å; E329-C333 PolarHBondContact O-N 3.34Å; E329-M334 WeakPolarHBondContact CB-O 3.48Å; E329-M334 WeakPolarHBondContact CG-O 3.3Å; E329-M334 PolarHBondContact N-O 2.61Å; E329-T336 WeakPolarHBondContact OE1-CB 3.4Å; E329-T336 PolarHBondContact OE1-OG1 3.06Å | ||
| 330 | P | 94.7 | Very high | 86.9 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -19.1 | -171.9 | -26.3 | 34.3 | 0 | 0 | 0 | 116.7 | L204 Y230 L234 Q253 V310 R311 | L204-P330 HydrophobicContact CD2-CB 3.61Å; L204-P330 HydrophobicContact CD2-CG 3.96Å; Y230-P330 VanDerWaalsContact OH-CD 3.32Å; Y230-P330 WeakPolarHBondContact OH-CD 3.49Å; L234-P330 HydrophobicContact CD2-CG 3.91Å; Q253-P330 PolarHBondContact NE2-O 3.01Å; Q253-P330 VanDerWaalsContact NE2-O 3.13Å; V310-P330 HydrophobicContact CB-CG 4.32Å; V310-P330 HydrophobicContact CG1-CG 4.47Å; R311-P330 WeakPolarHBondContact CD-O 3.03Å |
| 331 | Y | 91.1 | Very high | 86.4 | Confident | 26 Ų | 26 | 35.3 Ų | 35.3 | 10% | 0.102 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121 | -22.8 | -177.3 | -75.9 | -86.9 | 0 | 0 | 0 | 115.3 | C200 N201 L204 F260 E329 | C200-Y331 HydrophobicContact CB-CD1 3.72Å; C200-Y331 HydrophobicContact CB-CD2 3.62Å; C200-Y331 HydrophobicContact CB-CE1 3.76Å; C200-Y331 HydrophobicContact CB-CE2 3.65Å; C200-Y331 HydrophobicContact CB-CG 3.65Å; C200-Y331 WeakPolarHBondContact O-CE2 3.29Å; N201-Y331 VanDerWaalsContact OD1-CD2 3.26Å; N201-Y331 WeakPolarHBondContact OD1-CD2 3.09Å; L204-Y331 HydrophobicContact CB-CE2 4.04Å; L204-Y331 HydrophobicContact CD2-CE2 4.01Å; F260-Y331 WeakPolarHBondContact CA-OH 3.24Å; F260-Y331 WeakPolarHBondContact CB-OH 3.33Å; F260-Y331 WeakPolarHBondContact O-CE1 3.14Å; F260-Y331 PolarHBondContact O-OH 3.36Å; E329-Y331 PolarHBondContact O-N 3.11Å |
| 332 | D | 87.5 | Confident | 86.2 | Confident | 48 Ų | 48 | 33.7 Ų | 33.7 | 26% | 0.257 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | -4.1 | 177.4 | 86.1 | 1.2 | 0 | 0 | 0 | 113.7 | H197 E329 M334 | H197-D332 HydrophobicContact CB-CB 4.44Å; H197-D332 WeakPolarHBondContact ND1-CB 3.35Å; E329-D332 WeakPolarHBondContact CB-OD1 3.33Å; E329-D332 VanDerWaalsContact CG-OD1 3.3Å; E329-D332 WeakPolarHBondContact CG-OD1 3.35Å; D332-M334 HydrophobicContact CB-CG 4.42Å; D332-M334 PolarHBondContact O-N 2.91Å; D332-M334 WeakPolarHBondContact OD1-CB 3.49Å; D332-M334 VanDerWaalsContact OD1-CG 3.28Å; D332-M334 WeakPolarHBondContact OD1-CG 3.39Å; D332-M334 PolarHBondContact OD1-N 3.45Å |
| 333 | C | 88.9 | Confident | 86.3 | Confident | 68 Ų | 68 | 35 Ų | 35 | 46% | 0.459 | 19% | 0.185 | S | C | . | . | trans | 57.2 | 12.8 | 179.2 | -56.4 | 0 | 0 | 0 | 0 | 115.2 | E328 E329 | E328-C333 HydrophobicContact CG-CB 4.25Å; E329-C333 WeakPolarHBondContact O-CA 3.25Å; E329-C333 PolarHBondContact O-N 3.34Å | ||
| 334 | M | 87.8 | Confident | 86.2 | Confident | 58 Ų | 58 | 39.9 Ų | 39.9 | 29% | 0.286 | 21% | 0.21 | S | C | . | . | trans | -83.7 | 163.8 | 177 | -56.7 | -66.8 | -47 | 0 | 0 | 110.9 | R173 E329 D332 T336 | R173-M334 VanDerWaalsContact NH2-CG 3.31Å; E329-M334 WeakPolarHBondContact CB-O 3.48Å; E329-M334 WeakPolarHBondContact CG-O 3.3Å; E329-M334 PolarHBondContact N-O 2.61Å; D332-M334 HydrophobicContact CB-CG 4.42Å; D332-M334 PolarHBondContact O-N 2.91Å; D332-M334 WeakPolarHBondContact OD1-CB 3.49Å; D332-M334 VanDerWaalsContact OD1-CG 3.28Å; D332-M334 WeakPolarHBondContact OD1-CG 3.39Å; D332-M334 PolarHBondContact OD1-N 3.45Å; M334-T336 PolarHBondContact O-N 3.39Å | ||
| 335 | N | 89.4 | Confident | 86 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 4% | 0.043 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -74.8 | 123.6 | 170.7 | -172.5 | 13.5 | 0 | 0 | 0 | 111.7 | T323 I325 I327 A337 R338 | T323-N335 PolarHBondContact OG1-ND2 3.12Å; I325-N335 PolarHBondContact O-ND2 3Å; I327-N335 PolarHBondContact N-OD1 3.42Å; I327-N335 WeakPolarHBondContact O-CA 3.37Å; I327-N335 PolarHBondContact O-OD1 3.14Å; N335-A337 WeakPolarHBondContact OD1-CB 3.46Å; N335-A337 PolarHBondContact OD1-N 3.02Å; N335-R338 WeakPolarHBondContact O-CG 3.4Å; N335-R338 PolarHBondContact O-NE 3.26Å |
| 336 | T | 87.1 | Confident | 85.9 | Confident | 27 Ų | 27 | 45.6 Ų | 45.6 | 17% | 0.166 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -80.8 | -24.4 | 173.5 | -162.3 | 0 | 0 | 0 | 0 | 112.8 | L234 I327 E329 M334 R338 | L234-T336 HydrophobicContact CD1-CG2 3.9Å; I327-T336 HydrophobicContact CB-CG2 3.65Å; I327-T336 HydrophobicContact CD1-CG2 4.45Å; I327-T336 HydrophobicContact CG2-CG2 3.65Å; I327-T336 PolarHBondContact O-N 3.37Å; E329-T336 WeakPolarHBondContact OE1-CB 3.4Å; E329-T336 PolarHBondContact OE1-OG1 3.06Å; M334-T336 PolarHBondContact O-N 3.39Å; T336-R338 PolarHBondContact O-N 2.82Å |
| 337 | A | 80.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -82.1 | 30.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L227 I325 I327 N335 S339 L340 | L227-A337 HydrophobicContact CD2-CB 4.13Å; I325-A337 HydrophobicContact CB-CB 4.45Å; I325-A337 HydrophobicContact CG1-CB 4.15Å; I325-A337 HydrophobicContact CG2-CB 3.66Å; I327-A337 HydrophobicContact CB-CB 4.39Å; I327-A337 HydrophobicContact CD1-CB 3.91Å; I327-A337 HydrophobicContact CG1-CB 4.05Å; N335-A337 WeakPolarHBondContact OD1-CB 3.46Å; N335-A337 PolarHBondContact OD1-N 3.02Å; A337-S339 VanDerWaalsContact C-N 3.25Å; A337-S339 PolarHBondContact O-N 2.95Å; A337-L340 PolarHBondContact O-N 3.05Å; A337-L340 VanDerWaalsContact O-N 3.16Å | ||
| 338 | R | 73.2 | Confident | 85.4 | Confident | 100 Ų | 100 | 52.1 Ų | 52.1 | 38% | 0.377 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -69.2 | -20.1 | -172.8 | -59.1 | -178.4 | -168.6 | -160.6 | -1 | 114.1 | N335 T336 L340 S341 | N335-R338 WeakPolarHBondContact O-CG 3.4Å; N335-R338 PolarHBondContact O-NE 3.26Å; T336-R338 PolarHBondContact O-N 2.82Å; R338-L340 PolarHBondContact O-N 3.37Å; R338-S341 VanDerWaalsContact O-CB 3.27Å; R338-S341 WeakPolarHBondContact O-CB 3.37Å; R338-S341 PolarHBondContact O-N 3.2Å; R338-S341 VanDerWaalsContact O-N 3.1Å; R338-S341 PolarHBondContact O-OG 2.87Å |
| 339 | S | 72 | Confident | 85.1 | Confident | 49 Ų | 49 | 51.5 Ų | 51.5 | 34% | 0.343 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -65 | -21.3 | 174.8 | 54.5 | 0 | 0 | 0 | 0 | 113.1 | Y226 A337 R345 | Y226-S339 VanDerWaalsContact O-CB 3.27Å; Y226-S339 WeakPolarHBondContact O-CB 3.24Å; Y226-S339 PolarHBondContact O-OG 3.01Å; A337-S339 VanDerWaalsContact C-N 3.25Å; A337-S339 PolarHBondContact O-N 2.95Å; S339-R345 PolarHBondContact O-NH1 2.96Å |
| 340 | L | 75.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -96.4 | 21.6 | 173.3 | -82.6 | -176.8 | 0 | 0 | 0 | 113 | Y226 L227 P324 I325 A337 R338 H342 R345 F349 | Y226-L340 HydrophobicContact CD1-CD2 4.28Å; Y226-L340 HydrophobicContact CG-CD2 4.22Å; L227-L340 HydrophobicContact CD1-CD1 4.25Å; L227-L340 HydrophobicContact CD2-CD1 3.6Å; L227-L340 HydrophobicContact CD2-CG 4.04Å; L227-L340 HydrophobicContact CG-CD1 3.69Å; L227-L340 HydrophobicContact CG-CG 4.34Å; P324-L340 WeakPolarHBondContact CD-O 3.47Å; P324-L340 WeakPolarHBondContact CG-O 3.08Å; I325-L340 HydrophobicContact CG2-CB 3.66Å; I325-L340 HydrophobicContact CG2-CD1 3.94Å; I325-L340 HydrophobicContact CG2-CG 4.47Å; A337-L340 PolarHBondContact O-N 3.05Å; A337-L340 VanDerWaalsContact O-N 3.16Å; R338-L340 PolarHBondContact O-N 3.37Å; L340-H342 PolarHBondContact O-N 2.91Å; L340-H342 VanDerWaalsContact O-N 3.14Å; L340-R345 HydrophobicContact CD2-CB 3.62Å; L340-F349 HydrophobicContact CD1-CB 4.15Å; L340-F349 HydrophobicContact CD1-CD1 4.12Å; L340-F349 HydrophobicContact CD1-CD2 4.22Å; L340-F349 HydrophobicContact CD1-CG 3.89Å; L340-F349 HydrophobicContact CD2-CB 4.27Å |
| 341 | S | 75.2 | Confident | 84.7 | Confident | 70 Ų | 70 | 57.9 Ų | 57.9 | 49% | 0.49 | 29% | 0.291 | S | S | . | . | trans | -59.4 | -24.4 | 177.1 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | R338 | R338-S341 VanDerWaalsContact O-CB 3.27Å; R338-S341 WeakPolarHBondContact O-CB 3.37Å; R338-S341 PolarHBondContact O-N 3.2Å; R338-S341 VanDerWaalsContact O-N 3.1Å; R338-S341 PolarHBondContact O-OG 2.87Å | ||
| 342 | H | 81.5 | Confident | 84.6 | Confident | 104 Ų | 104 | 56.9 Ų | 56.9 | 48% | 0.481 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -88.2 | 122.2 | -178.2 | -163.7 | -71.1 | 0 | 0 | 0 | 111.5 | L340 I344 R345 F346 | L340-H342 PolarHBondContact O-N 2.91Å; L340-H342 VanDerWaalsContact O-N 3.14Å; H342-I344 VanDerWaalsContact C-N 3.32Å; H342-I344 PolarHBondContact ND1-N 2.81Å; H342-I344 PolarHBondContact O-N 3.41Å; H342-R345 HydrophobicContact CB-CG 4.15Å; H342-R345 WeakPolarHBondContact O-CB 3.45Å; H342-R345 PolarHBondContact O-N 3.23Å; H342-F346 PolarHBondContact O-N 3.02Å |
| 343 | E | 85.6 | Confident | 84.7 | Confident | 101 Ų | 101 | 54.6 Ų | 54.6 | 47% | 0.472 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -50.5 | -46.4 | -175.8 | -171.3 | 60.6 | -149.9 | 0 | 0 | 113.2 | R345 F346 L347 | E343-R345 VanDerWaalsContact C-N 3.29Å; E343-R345 PolarHBondContact O-N 2.82Å; E343-F346 WeakPolarHBondContact O-CA 3.46Å; E343-F346 WeakPolarHBondContact O-CB 3.47Å; E343-F346 PolarHBondContact O-N 3.23Å; E343-L347 HydrophobicContact CG-CD1 4.46Å; E343-L347 WeakPolarHBondContact O-CG 3.37Å; E343-L347 PolarHBondContact O-N 2.91Å |
| 344 | I | 86.3 | Confident | 84.9 | Confident | 113 Ų | 113 | 55.8 Ų | 55.8 | 58% | 0.579 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -56.8 | -41.5 | 177.6 | -60 | 179.6 | 0 | 0 | 0 | 112 | H342 F346 L347 V348 | H342-I344 VanDerWaalsContact C-N 3.32Å; H342-I344 PolarHBondContact ND1-N 2.81Å; H342-I344 PolarHBondContact O-N 3.41Å; I344-F346 VanDerWaalsContact C-N 3.3Å; I344-F346 PolarHBondContact O-N 2.87Å; I344-L347 PolarHBondContact O-N 3.36Å; I344-V348 WeakPolarHBondContact O-CG2 3.47Å; I344-V348 PolarHBondContact O-N 3.04Å; I344-V348 VanDerWaalsContact O-N 3.08Å |
| 345 | R | 84.5 | Confident | 85.1 | Confident | 122 Ų | 122 | 57.1 Ų | 57.1 | 46% | 0.46 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.9 | -36.6 | 178.7 | -64.4 | -175.6 | 172.1 | -170.6 | -3.3 | 111.1 | Y226 S339 L340 H342 E343 V348 F349 | Y226-R345 HydrophobicContact CD1-CB 3.82Å; Y226-R345 HydrophobicContact CD1-CG 3.98Å; Y226-R345 HydrophobicContact CE1-CB 3.97Å; Y226-R345 HydrophobicContact CE1-CG 3.84Å; S339-R345 PolarHBondContact O-NH1 2.96Å; L340-R345 HydrophobicContact CD2-CB 3.62Å; H342-R345 HydrophobicContact CB-CG 4.15Å; H342-R345 WeakPolarHBondContact O-CB 3.45Å; H342-R345 PolarHBondContact O-N 3.23Å; E343-R345 VanDerWaalsContact C-N 3.29Å; E343-R345 PolarHBondContact O-N 2.82Å; R345-V348 PolarHBondContact O-N 2.92Å; R345-F349 WeakPolarHBondContact O-CB 3.45Å; R345-F349 PolarHBondContact O-N 2.96Å |
| 346 | F | 88.6 | Confident | 85.1 | Confident | 15 Ų | 15 | 56.8 Ų | 56.8 | 7% | 0.066 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 175.5 | 170.7 | -106.5 | 0 | 0 | 0 | 112.3 | F303 P324 I325 H342 E343 I344 V348 F349 R350 | F303-F346 HydrophobicContact CB-CE2 4.11Å; F303-F346 HydrophobicContact CB-CZ 3.95Å; F303-F346 AromaticContact CD2-CE2 3.78Å; F303-F346 HydrophobicContact CD2-CE2 3.78Å; F303-F346 AromaticContact CD2-CZ 3.76Å; F303-F346 HydrophobicContact CD2-CZ 3.76Å; F303-F346 HydrophobicContact CE2-CE2 4.34Å; F303-F346 AromaticContact CG-CE2 3.89Å; F303-F346 HydrophobicContact CG-CE2 3.89Å; F303-F346 HydrophobicContact CG-CZ 4.05Å; P324-F346 HydrophobicContact CB-CB 3.9Å; P324-F346 HydrophobicContact CB-CD1 3.65Å; P324-F346 HydrophobicContact CB-CD2 3.98Å; P324-F346 HydrophobicContact CB-CE1 4.14Å; P324-F346 HydrophobicContact CB-CE2 4.44Å; P324-F346 HydrophobicContact CB-CG 3.55Å; P324-F346 HydrophobicContact CG-CB 3.43Å; P324-F346 VanDerWaalsContact CG-CB 3.43Å; P324-F346 HydrophobicContact CG-CD1 4.19Å; P324-F346 HydrophobicContact CG-CD2 4.1Å; P324-F346 HydrophobicContact CG-CG 3.65Å; I325-F346 HydrophobicContact CB-CD2 4.37Å; I325-F346 HydrophobicContact CB-CE2 4.35Å; H342-F346 PolarHBondContact O-N 3.02Å; E343-F346 WeakPolarHBondContact O-CA 3.46Å; E343-F346 WeakPolarHBondContact O-CB 3.47Å; E343-F346 PolarHBondContact O-N 3.23Å; I344-F346 VanDerWaalsContact C-N 3.3Å; I344-F346 PolarHBondContact O-N 2.87Å; F346-V348 VanDerWaalsContact C-N 3.34Å; F346-V348 PolarHBondContact O-N 3.36Å; F346-F349 HydrophobicContact CD2-CD1 4.27Å; F346-F349 HydrophobicContact CE2-CD1 4.46Å; F346-F349 WeakPolarHBondContact O-CB 3.34Å; F346-F349 PolarHBondContact O-N 3.17Å; F346-R350 WeakPolarHBondContact O-CB 3.43Å; F346-R350 PolarHBondContact O-N 3.35Å |
| 347 | L | 89.5 | Confident | 85.3 | Confident | 87 Ų | 87 | 58 Ų | 58 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 175.8 | -67.3 | 177 | 0 | 0 | 0 | 111.8 | E343 I344 R350 D351 | E343-L347 HydrophobicContact CG-CD1 4.46Å; E343-L347 WeakPolarHBondContact O-CG 3.37Å; E343-L347 PolarHBondContact O-N 2.91Å; I344-L347 PolarHBondContact O-N 3.36Å; L347-R350 PolarHBondContact O-N 3.48Å; L347-D351 WeakPolarHBondContact O-CB 3.19Å; L347-D351 PolarHBondContact O-N 3.38Å |
| 348 | V | 87.2 | Confident | 85.8 | Confident | 60 Ų | 60 | 64.2 Ų | 64.2 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 174.5 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | Y226 I344 R345 F346 R350 D351 Y352 | Y226-V348 HydrophobicContact CE2-CB 4.46Å; Y226-V348 HydrophobicContact CE2-CG1 3.71Å; I344-V348 WeakPolarHBondContact O-CG2 3.47Å; I344-V348 PolarHBondContact O-N 3.04Å; I344-V348 VanDerWaalsContact O-N 3.08Å; R345-V348 PolarHBondContact O-N 2.92Å; F346-V348 VanDerWaalsContact C-N 3.34Å; F346-V348 PolarHBondContact O-N 3.36Å; V348-R350 PolarHBondContact O-N 2.8Å; V348-D351 PolarHBondContact O-N 3.29Å; V348-Y352 WeakPolarHBondContact O-CB 3.44Å; V348-Y352 PolarHBondContact O-N 3.46Å |
| 349 | F | 87.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.7 | -46.7 | 174.3 | 165 | -97.9 | 0 | 0 | 0 | 111.8 | L227 W232 L235 F303 I325 L340 R345 F346 Y352 I353 | L227-F349 HydrophobicContact CD1-CD2 4.28Å; L227-F349 HydrophobicContact CD1-CE2 3.61Å; L227-F349 HydrophobicContact CD1-CZ 4Å; L227-F349 HydrophobicContact CG-CE2 4.45Å; W232-F349 HydrophobicContact CH2-CD2 4.43Å; W232-F349 AromaticContact CH2-CE2 3.61Å; W232-F349 HydrophobicContact CH2-CE2 3.61Å; W232-F349 HydrophobicContact CH2-CZ 4.46Å; W232-F349 HydrophobicContact CZ2-CD2 4.36Å; W232-F349 AromaticContact CZ2-CE2 3.83Å; W232-F349 HydrophobicContact CZ2-CE2 3.83Å; W232-F349 HydrophobicContact CZ3-CE2 4.27Å; L235-F349 HydrophobicContact CD1-CZ 4.33Å; F303-F349 HydrophobicContact CE2-CE1 4.45Å; F303-F349 HydrophobicContact CZ-CE1 4.01Å; I325-F349 HydrophobicContact CD1-CE1 4.23Å; L340-F349 HydrophobicContact CD1-CB 4.15Å; L340-F349 HydrophobicContact CD1-CD1 4.12Å; L340-F349 HydrophobicContact CD1-CD2 4.22Å; L340-F349 HydrophobicContact CD1-CG 3.89Å; L340-F349 HydrophobicContact CD2-CB 4.27Å; R345-F349 WeakPolarHBondContact O-CB 3.45Å; R345-F349 PolarHBondContact O-N 2.96Å; F346-F349 HydrophobicContact CD2-CD1 4.27Å; F346-F349 HydrophobicContact CE2-CD1 4.46Å; F346-F349 WeakPolarHBondContact O-CB 3.34Å; F346-F349 PolarHBondContact O-N 3.17Å; F349-Y352 WeakPolarHBondContact O-CB 3.38Å; F349-Y352 PolarHBondContact O-N 2.77Å; F349-I353 HydrophobicContact CD2-CG1 4.37Å; F349-I353 HydrophobicContact CE1-CG1 4.16Å; F349-I353 HydrophobicContact CE2-CD1 3.98Å; F349-I353 HydrophobicContact CE2-CG1 3.93Å; F349-I353 HydrophobicContact CZ-CD1 4.02Å; F349-I353 HydrophobicContact CZ-CG1 3.82Å; F349-I353 WeakPolarHBondContact O-CG1 3.5Å; F349-I353 PolarHBondContact O-N 3.01Å |
| 350 | R | 89.7 | Confident | 87.4 | Confident | 88 Ų | 88 | 58.5 Ų | 58.5 | 33% | 0.332 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.1 | -41.7 | -179.5 | -175.5 | -178.8 | 175.4 | -171.6 | 2.1 | 112.4 | F346 L347 V348 Y352 I353 R354 | F346-R350 WeakPolarHBondContact O-CB 3.43Å; F346-R350 PolarHBondContact O-N 3.35Å; L347-R350 PolarHBondContact O-N 3.48Å; V348-R350 PolarHBondContact O-N 2.8Å; R350-Y352 VanDerWaalsContact C-N 3.34Å; R350-I353 PolarHBondContact O-N 3.31Å; R350-R354 VanDerWaalsContact NE-CZ 3.32Å; R350-R354 WeakPolarHBondContact O-CG 3.4Å; R350-R354 PolarHBondContact O-N 3.38Å |
| 351 | D | 90.4 | Very high | 88 | Confident | 71 Ų | 71 | 63.2 Ų | 63.2 | 38% | 0.38 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 174.4 | 179.5 | 64.8 | 0 | 0 | 0 | 111 | L347 V348 I353 R354 K355 | L347-D351 WeakPolarHBondContact O-CB 3.19Å; L347-D351 PolarHBondContact O-N 3.38Å; V348-D351 PolarHBondContact O-N 3.29Å; D351-I353 PolarHBondContact O-N 2.98Å; D351-R354 PolarHBondContact O-N 2.95Å; D351-K355 WeakPolarHBondContact O-CG 3.34Å; D351-K355 PolarHBondContact O-N 2.93Å; D351-K355 WeakPolarHBondContact OD1-CE 3.38Å; D351-K355 IonicContact OD1-NZ 3.56Å; D351-K355 WeakPolarHBondContact OD2-CD 3.46Å; D351-K355 WeakPolarHBondContact OD2-CE 3.36Å; D351-K355 IonicContact OD2-NZ 2.68Å; D351-K355 PolarHBondContact OD2-NZ 3.48Å |
| 352 | Y | 88.5 | Confident | 88.5 | Confident | 5 Ų | 5 | 64 Ų | 64 | 2% | 0.02 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.9 | -51.4 | 175.4 | 172.5 | -89.3 | 0 | 0 | 0 | 112.4 | V223 F295 V348 F349 R350 R354 K355 A356 F372 | V223-Y352 HydrophobicContact CB-CE1 4.41Å; V223-Y352 HydrophobicContact CG1-CD1 4.05Å; V223-Y352 HydrophobicContact CG1-CE1 3.1Å; V223-Y352 HydrophobicContact CG1-CE2 4.29Å; V223-Y352 WeakPolarHBondContact CG1-OH 3.43Å; V223-Y352 WeakPolarHBondContact CG2-OH 3.46Å; F295-Y352 HydrophobicContact CE1-CE1 4.03Å; V348-Y352 WeakPolarHBondContact O-CB 3.44Å; V348-Y352 PolarHBondContact O-N 3.46Å; F349-Y352 WeakPolarHBondContact O-CB 3.38Å; F349-Y352 PolarHBondContact O-N 2.77Å; R350-Y352 VanDerWaalsContact C-N 3.34Å; Y352-R354 PolarHBondContact O-N 3.39Å; Y352-K355 PolarHBondContact O-N 3.39Å; Y352-A356 HydrophobicContact CE1-CB 4.13Å; Y352-A356 WeakPolarHBondContact O-CB 3.28Å; Y352-A356 PolarHBondContact O-N 3.31Å; Y352-F372 HydrophobicContact CD2-CE1 4.15Å; Y352-F372 AromaticContact CD2-CZ 3.8Å; Y352-F372 HydrophobicContact CD2-CZ 3.8Å; Y352-F372 HydrophobicContact CE2-CZ 4.06Å |
| 353 | I | 90.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.4 | -43.1 | -179.8 | -69.4 | -70.4 | 0 | 0 | 0 | 110.9 | W232 F295 G299 F349 R350 D351 A356 Y357 | W232-I353 HydrophobicContact CH2-CD1 3.56Å; W232-I353 HydrophobicContact CZ3-CD1 3.87Å; F295-I353 HydrophobicContact CB-CG2 4.48Å; F295-I353 HydrophobicContact CD1-CB 4.46Å; F295-I353 HydrophobicContact CD1-CD1 3.68Å; F295-I353 HydrophobicContact CD1-CG2 4.16Å; F295-I353 HydrophobicContact CE1-CD1 3.82Å; F295-I353 VanDerWaalsContact O-CG2 3.26Å; F295-I353 WeakPolarHBondContact O-CG2 3.48Å; G299-I353 VanDerWaalsContact N-CG2 3.25Å; F349-I353 HydrophobicContact CD2-CG1 4.37Å; F349-I353 HydrophobicContact CE1-CG1 4.16Å; F349-I353 HydrophobicContact CE2-CD1 3.98Å; F349-I353 HydrophobicContact CE2-CG1 3.93Å; F349-I353 HydrophobicContact CZ-CD1 4.02Å; F349-I353 HydrophobicContact CZ-CG1 3.82Å; F349-I353 WeakPolarHBondContact O-CG1 3.5Å; F349-I353 PolarHBondContact O-N 3.01Å; R350-I353 PolarHBondContact O-N 3.31Å; D351-I353 PolarHBondContact O-N 2.98Å; I353-A356 PolarHBondContact O-N 2.85Å; I353-Y357 PolarHBondContact O-N 3.37Å; I353-Y357 VanDerWaalsContact O-N 3.16Å |
| 354 | R | 92.6 | Very high | 88.5 | Confident | 94 Ų | 94 | 65.5 Ų | 65.5 | 36% | 0.355 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.1 | -45.6 | 179.4 | -71.7 | 169.2 | 171.2 | -171.7 | -16 | 112.1 | G299 R350 D351 Y352 A356 Y357 F358 | G299-R354 PolarHBondContact O-NE 3.43Å; G299-R354 PolarHBondContact O-NH2 3.4Å; R350-R354 VanDerWaalsContact NE-CZ 3.32Å; R350-R354 WeakPolarHBondContact O-CG 3.4Å; R350-R354 PolarHBondContact O-N 3.38Å; D351-R354 PolarHBondContact O-N 2.95Å; Y352-R354 PolarHBondContact O-N 3.39Å; R354-A356 VanDerWaalsContact C-N 3.34Å; R354-A356 PolarHBondContact O-N 3.46Å; R354-Y357 WeakPolarHBondContact O-CB 3.49Å; R354-Y357 PolarHBondContact O-N 3.3Å; R354-F358 HydrophobicContact CB-CE2 4.43Å; R354-F358 WeakPolarHBondContact O-CD2 3.48Å; R354-F358 PolarHBondContact O-N 3.32Å; R354-F358 VanDerWaalsContact O-N 3.09Å |
| 355 | K | 91.4 | Very high | 88.5 | Confident | 85 Ų | 85 | 60.5 Ų | 60.5 | 37% | 0.37 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 176.4 | -74.6 | 174.6 | 176.1 | 167.1 | 0 | 111.8 | D351 Y352 Y357 F358 N359 F372 | D351-K355 WeakPolarHBondContact O-CG 3.34Å; D351-K355 PolarHBondContact O-N 2.93Å; D351-K355 WeakPolarHBondContact OD1-CE 3.38Å; D351-K355 IonicContact OD1-NZ 3.56Å; D351-K355 WeakPolarHBondContact OD2-CD 3.46Å; D351-K355 WeakPolarHBondContact OD2-CE 3.36Å; D351-K355 IonicContact OD2-NZ 2.68Å; D351-K355 PolarHBondContact OD2-NZ 3.48Å; Y352-K355 PolarHBondContact O-N 3.39Å; K355-Y357 VanDerWaalsContact C-N 3.33Å; K355-Y357 PolarHBondContact O-N 2.87Å; K355-F358 PolarHBondContact O-N 3.45Å; K355-N359 WeakPolarHBondContact O-CB 3.42Å; K355-N359 VanDerWaalsContact O-CG 3.25Å; K355-N359 PolarHBondContact O-N 2.82Å; K355-F372 HydrophobicContact CD-CD1 4.46Å |
| 356 | A | 90.2 | Very high | 88.4 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.2 | -44.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F295 Y352 I353 R354 N359 L360 | F295-A356 HydrophobicContact CD1-CB 3.65Å; F295-A356 HydrophobicContact CD2-CB 4.04Å; F295-A356 HydrophobicContact CE1-CB 3.74Å; F295-A356 HydrophobicContact CE2-CB 4.1Å; F295-A356 HydrophobicContact CG-CB 3.81Å; F295-A356 HydrophobicContact CZ-CB 3.97Å; Y352-A356 HydrophobicContact CE1-CB 4.13Å; Y352-A356 WeakPolarHBondContact O-CB 3.28Å; Y352-A356 PolarHBondContact O-N 3.31Å; I353-A356 PolarHBondContact O-N 2.85Å; R354-A356 VanDerWaalsContact C-N 3.34Å; R354-A356 PolarHBondContact O-N 3.46Å; A356-N359 PolarHBondContact O-N 3.07Å; A356-L360 WeakPolarHBondContact O-CB 3.45Å; A356-L360 VanDerWaalsContact O-CG 3.24Å; A356-L360 WeakPolarHBondContact O-CG 3.28Å; A356-L360 PolarHBondContact O-N 2.86Å |
| 357 | Y | 91.6 | Very high | 88.1 | Confident | 54 Ų | 54 | 58.7 Ų | 58.7 | 21% | 0.212 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.6 | -52.9 | 173.2 | 173.1 | -113.2 | 0 | 0 | 0 | 112.2 | A292 Y296 I353 R354 K355 N359 L360 Q361 | A292-Y357 WeakPolarHBondContact O-CD2 3.49Å; Y296-Y357 HydrophobicContact CD2-CD1 4.31Å; Y296-Y357 AromaticContact CD2-CE1 3.76Å; Y296-Y357 HydrophobicContact CD2-CE1 3.76Å; Y296-Y357 AromaticContact CD2-CE2 3.99Å; Y296-Y357 HydrophobicContact CD2-CE2 3.99Å; Y296-Y357 AromaticContact CD2-CZ 3.57Å; Y296-Y357 HydrophobicContact CG-CE2 4.17Å; I353-Y357 PolarHBondContact O-N 3.37Å; I353-Y357 VanDerWaalsContact O-N 3.16Å; R354-Y357 WeakPolarHBondContact O-CB 3.49Å; R354-Y357 PolarHBondContact O-N 3.3Å; K355-Y357 VanDerWaalsContact C-N 3.33Å; K355-Y357 PolarHBondContact O-N 2.87Å; Y357-N359 VanDerWaalsContact C-N 3.33Å; Y357-N359 PolarHBondContact O-N 2.87Å; Y357-L360 PolarHBondContact O-N 3.44Å; Y357-Q361 HydrophobicContact CD2-CG 3.96Å; Y357-Q361 HydrophobicContact CE1-CG 4.28Å; Y357-Q361 HydrophobicContact CE2-CG 3.5Å; Y357-Q361 WeakPolarHBondContact O-CG 3.4Å; Y357-Q361 PolarHBondContact O-N 2.78Å |
| 358 | F | 90.6 | Very high | 87.8 | Confident | 130 Ų | 130 | 54.6 Ų | 54.6 | 57% | 0.57 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -60.9 | -39.8 | -179.4 | -70.4 | -61.5 | 0 | 0 | 0 | 112.9 | R354 K355 Q361 S362 | R354-F358 HydrophobicContact CB-CE2 4.43Å; R354-F358 WeakPolarHBondContact O-CD2 3.48Å; R354-F358 PolarHBondContact O-N 3.32Å; R354-F358 VanDerWaalsContact O-N 3.09Å; K355-F358 PolarHBondContact O-N 3.45Å; F358-Q361 PolarHBondContact O-N 3.26Å; F358-S362 WeakPolarHBondContact O-CB 3.42Å; F358-S362 PolarHBondContact O-N 3.08Å; F358-S362 PolarHBondContact O-OG 3.15Å |
| 359 | N | 90.4 | Very high | 87.4 | Confident | 27 Ų | 27 | 51.9 Ų | 51.9 | 14% | 0.144 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.9 | -43 | 179.2 | -73.3 | -5.7 | 0 | 0 | 0 | 111.7 | K355 A356 Y357 Q361 S362 R363 S368 Y371 | K355-N359 WeakPolarHBondContact O-CB 3.42Å; K355-N359 VanDerWaalsContact O-CG 3.25Å; K355-N359 PolarHBondContact O-N 2.82Å; A356-N359 PolarHBondContact O-N 3.07Å; Y357-N359 VanDerWaalsContact C-N 3.33Å; Y357-N359 PolarHBondContact O-N 2.87Å; N359-Q361 PolarHBondContact O-N 3.09Å; N359-S362 PolarHBondContact O-N 3.16Å; N359-S362 PolarHBondContact O-OG 2.73Å; N359-R363 WeakPolarHBondContact O-CB 3.19Å; N359-R363 PolarHBondContact O-N 3.34Å; N359-S368 WeakPolarHBondContact CB-O 3.5Å; N359-S368 PolarHBondContact ND2-O 3.48Å; N359-S368 PolarHBondContact O-OG 3.15Å; N359-Y371 PolarHBondContact ND2-O 3.46Å; N359-Y371 VanDerWaalsContact ND2-O 3.1Å |
| 360 | L | 89.1 | Confident | 86.5 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 176 | -72 | 172.9 | 0 | 0 | 0 | 112 | L67 L291 F295 A356 Y357 Q364 M369 | L67-L360 HydrophobicContact CD1-CD2 3.7Å; L67-L360 HydrophobicContact CD2-CD2 3.96Å; L291-L360 HydrophobicContact CD2-CD1 4.15Å; L291-L360 HydrophobicContact CD2-CD2 4.47Å; L291-L360 HydrophobicContact CG-CD1 3.98Å; F295-L360 HydrophobicContact CD2-CD1 3.5Å; F295-L360 HydrophobicContact CE2-CD1 3.77Å; A356-L360 WeakPolarHBondContact O-CB 3.45Å; A356-L360 VanDerWaalsContact O-CG 3.24Å; A356-L360 WeakPolarHBondContact O-CG 3.28Å; A356-L360 PolarHBondContact O-N 2.86Å; Y357-L360 PolarHBondContact O-N 3.44Å; L360-Q364 WeakPolarHBondContact O-CA 3.42Å; L360-Q364 PolarHBondContact O-N 2.93Å; L360-M369 HydrophobicContact CD1-CG 4.15Å; L360-M369 HydrophobicContact CD1-SD 3.93Å; L360-M369 HydrophobicContact CD2-CG 3.64Å; L360-M369 HydrophobicContact CD2-SD 4.07Å; L360-M369 HydrophobicContact CG-CG 3.8Å; L360-M369 HydrophobicContact CG-SD 4.22Å |
| 361 | Q | 86.3 | Confident | 85 | Confident | 99 Ų | 99 | 56 Ų | 56 | 46% | 0.463 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.5 | -42 | 177.9 | -72.1 | -63.6 | -47.5 | 0 | 0 | 112.6 | Y357 F358 N359 | Y357-Q361 HydrophobicContact CD2-CG 3.96Å; Y357-Q361 HydrophobicContact CE1-CG 4.28Å; Y357-Q361 HydrophobicContact CE2-CG 3.5Å; Y357-Q361 WeakPolarHBondContact O-CG 3.4Å; Y357-Q361 PolarHBondContact O-N 2.78Å; F358-Q361 PolarHBondContact O-N 3.26Å; N359-Q361 PolarHBondContact O-N 3.09Å |
| 362 | S | 86.2 | Confident | 83.2 | Confident | 87 Ų | 87 | 58 Ų | 58 | 61% | 0.608 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -80.6 | -36.2 | -175.6 | 55.1 | 0 | 0 | 0 | 0 | 113.9 | F358 N359 | F358-S362 WeakPolarHBondContact O-CB 3.42Å; F358-S362 PolarHBondContact O-N 3.08Å; F358-S362 PolarHBondContact O-OG 3.15Å; N359-S362 PolarHBondContact O-N 3.16Å; N359-S362 PolarHBondContact O-OG 2.73Å |
| 363 | R | 85 | Confident | 81.1 | Confident | 123 Ų | 123 | 61.7 Ų | 61.7 | 46% | 0.464 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -109.8 | -14.1 | -171.6 | -63.7 | -173.1 | 176.3 | -168.9 | 2.3 | 114.6 | N359 S365 | N359-R363 WeakPolarHBondContact O-CB 3.19Å; N359-R363 PolarHBondContact O-N 3.34Å; R363-S365 PolarHBondContact O-N 3.44Å; R363-S365 VanDerWaalsContact O-N 3.11Å |
| 364 | Q | 82.7 | Confident | 78.6 | Confident | 113 Ų | 113 | 64.9 Ų | 64.9 | 53% | 0.528 | 32% | 0.317 | S | S | . | . | trans | 46.3 | 40.7 | -177.9 | -62.4 | -172.9 | -11.4 | 0 | 0 | 113.6 | L360 | L360-Q364 WeakPolarHBondContact O-CA 3.42Å; L360-Q364 PolarHBondContact O-N 2.93Å | ||
| 365 | S | 85.9 | Confident | 75.8 | Confident | 8 Ų | 8 | 69.7 Ų | 69.7 | 6% | 0.056 | 34% | 0.344 | C | S | . | . | trans | -143.2 | 138.6 | -178 | -178.3 | 0 | 0 | 0 | 0 | 111 | E70 R363 S367 S368 | E70-S365 PolarHBondContact OE1-OG 2.94Å; E70-S365 WeakPolarHBondContact OE2-CA 3.03Å; E70-S365 WeakPolarHBondContact OE2-CB 3.2Å; E70-S365 PolarHBondContact OE2-OG 3Å; R363-S365 PolarHBondContact O-N 3.44Å; R363-S365 VanDerWaalsContact O-N 3.11Å; S365-S367 VanDerWaalsContact C-N 3.3Å; S365-S367 PolarHBondContact O-N 3.05Å; S365-S367 PolarHBondContact OG-OG 2.81Å; S365-S368 VanDerWaalsContact O-CB 3.31Å; S365-S368 WeakPolarHBondContact O-CB 3.18Å; S365-S368 PolarHBondContact O-N 3.11Å; S365-S368 PolarHBondContact O-OG 3.17Å | ||
| 366 | L | 82.6 | Confident | 73.2 | Confident | 12 Ų | 12 | 70.4 Ų | 70.4 | 6% | 0.063 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -64.9 | -35.5 | -177.7 | -173.5 | 64.5 | 0 | 0 | 0 | 112.1 | L67 E70 I71 F74 I219 L291 S368 M369 | L67-L366 HydrophobicContact CD1-CB 4.29Å; E70-L366 HydrophobicContact CB-CB 4.09Å; E70-L366 PolarHBondContact OE2-N 3.3Å; I71-L366 HydrophobicContact CG1-CD1 4.18Å; F74-L366 HydrophobicContact CB-CD2 3.76Å; F74-L366 HydrophobicContact CD1-CD2 4.46Å; F74-L366 HydrophobicContact CD2-CD2 4.26Å; F74-L366 HydrophobicContact CG-CD2 3.9Å; I219-L366 HydrophobicContact CD1-CD1 3.87Å; I219-L366 HydrophobicContact CD1-CD2 4.06Å; I219-L366 HydrophobicContact CG1-CD1 4.3Å; I219-L366 HydrophobicContact CG1-CD2 4.26Å; I219-L366 HydrophobicContact CG2-CD1 3.78Å; L291-L366 HydrophobicContact CD2-CD1 3.84Å; L366-S368 PolarHBondContact O-N 3.49Å; L366-M369 HydrophobicContact CD1-CE 3.63Å; L366-M369 HydrophobicContact CD1-SD 4.02Å; L366-M369 HydrophobicContact CG-CE 4.48Å; L366-M369 PolarHBondContact O-N 2.58Å |
| 367 | S | 83 | Confident | 70.7 | Confident | 86 Ų | 86 | 74.3 Ų | 74.3 | 60% | 0.601 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -63.7 | -23.8 | 178.8 | 66.2 | 0 | 0 | 0 | 0 | 112.9 | S365 M369 Y370 | S365-S367 VanDerWaalsContact C-N 3.3Å; S365-S367 PolarHBondContact O-N 3.05Å; S365-S367 PolarHBondContact OG-OG 2.81Å; S367-M369 PolarHBondContact O-N 3.28Å; S367-Y370 PolarHBondContact O-N 3.46Å |
| 368 | S | 82.4 | Confident | 68 | Low | 2 Ų | 2 | 80.6 Ų | 80.6 | 1% | 0.014 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -66 | -24.5 | 178.8 | 74.6 | 0 | 0 | 0 | 0 | 113.5 | N359 S365 L366 Y370 Y371 | N359-S368 WeakPolarHBondContact CB-O 3.5Å; N359-S368 PolarHBondContact ND2-O 3.48Å; N359-S368 PolarHBondContact O-OG 3.15Å; S365-S368 VanDerWaalsContact O-CB 3.31Å; S365-S368 WeakPolarHBondContact O-CB 3.18Å; S365-S368 PolarHBondContact O-N 3.11Å; S365-S368 PolarHBondContact O-OG 3.17Å; L366-S368 PolarHBondContact O-N 3.49Å; S368-Y370 PolarHBondContact O-N 3.12Å; S368-Y371 WeakPolarHBondContact O-CB 3.35Å; S368-Y371 PolarHBondContact O-N 3.04Å |
| 369 | M | 78.6 | Confident | 65.1 | Low | 2 Ų | 2 | 81 Ų | 81 | 1% | 0.01 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -62.5 | -28 | 178.8 | -62.4 | -167.1 | -38.9 | 0 | 0 | 112.7 | I219 V223 L291 F295 L360 L366 S367 | I219-M369 HydrophobicContact CG2-CE 3.41Å; I219-M369 VanDerWaalsContact CG2-CE 3.41Å; I219-M369 HydrophobicContact CG2-SD 4.36Å; V223-M369 HydrophobicContact CG2-CE 3.7Å; L291-M369 HydrophobicContact CD2-SD 4.09Å; F295-M369 HydrophobicContact CE2-SD 3.5Å; F295-M369 VanDerWaalsContact CE2-SD 3.5Å; F295-M369 HydrophobicContact CZ-SD 3.85Å; L360-M369 HydrophobicContact CD1-CG 4.15Å; L360-M369 HydrophobicContact CD1-SD 3.93Å; L360-M369 HydrophobicContact CD2-CG 3.64Å; L360-M369 HydrophobicContact CD2-SD 4.07Å; L360-M369 HydrophobicContact CG-CG 3.8Å; L360-M369 HydrophobicContact CG-SD 4.22Å; L366-M369 HydrophobicContact CD1-CE 3.63Å; L366-M369 HydrophobicContact CD1-SD 4.02Å; L366-M369 HydrophobicContact CG-CE 4.48Å; L366-M369 PolarHBondContact O-N 2.58Å; S367-M369 PolarHBondContact O-N 3.28Å |
| 370 | Y | 69.5 | Low | 62.5 | Low | 86 Ų | 86 | 87.3 Ų | 87.3 | 34% | 0.337 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -93 | -4.7 | 178.6 | -47 | -83.6 | 0 | 0 | 0 | 112.7 | S222 V223 S367 S368 F372 | S222-Y370 PolarHBondContact OG-OH 3.16Å; V223-Y370 HydrophobicContact CG2-CE1 3.88Å; S367-Y370 PolarHBondContact O-N 3.46Å; S368-Y370 PolarHBondContact O-N 3.12Å; Y370-F372 WeakPolarHBondContact O-CD2 3.28Å; Y370-F372 PolarHBondContact O-N 3.13Å |
| 371 | Y | 56.9 | Low | 59.6 | Low | 90 Ų | 90 | 96 Ų | 96 | 35% | 0.353 | 51% | 0.508 | S | S | . | . | trans | -79.4 | 106.2 | 178.6 | -163.8 | -88.9 | 0 | 0 | 0 | 109.8 | N359 S368 P373 D377 | N359-Y371 PolarHBondContact ND2-O 3.46Å; N359-Y371 VanDerWaalsContact ND2-O 3.1Å; S368-Y371 WeakPolarHBondContact O-CB 3.35Å; S368-Y371 PolarHBondContact O-N 3.04Å; Y371-P373 HydrophobicContact CD1-CG 4.16Å; Y371-P373 HydrophobicContact CE1-CB 4.23Å; Y371-P373 HydrophobicContact CE1-CG 4.03Å; Y371-D377 PolarHBondContact OH-OD2 3.36Å | ||
| 372 | F | 52.6 | Low | 58.3 | Low | 111 Ų | 111 | 95.8 Ų | 95.8 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | trans | -100 | 114.2 | 163.6 | -55.5 | -82.3 | 0 | 0 | 0 | 106.6 | Y352 K355 Y370 S374 | Y352-F372 HydrophobicContact CD2-CE1 4.15Å; Y352-F372 AromaticContact CD2-CZ 3.8Å; Y352-F372 HydrophobicContact CD2-CZ 3.8Å; Y352-F372 HydrophobicContact CE2-CZ 4.06Å; K355-F372 HydrophobicContact CD-CD1 4.46Å; Y370-F372 WeakPolarHBondContact O-CD2 3.28Å; Y370-F372 PolarHBondContact O-N 3.13Å; F372-S374 PolarHBondContact O-N 2.92Å | ||
| 373 | P | 45.2 | Very low | 56.8 | Low | 84 Ų | 84 | 96.3 Ų | 96.3 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | trans | -54.7 | 119.2 | 169.8 | -17.7 | 28.3 | 0 | 0 | 0 | 107.8 | Y371 | Y371-P373 HydrophobicContact CD1-CG 4.16Å; Y371-P373 HydrophobicContact CE1-CB 4.23Å; Y371-P373 HydrophobicContact CE1-CG 4.03Å | ||
| 374 | S | 36.8 | Very low | 55.3 | Low | 66 Ų | 66 | 94.8 Ų | 94.8 | 46% | 0.462 | 51% | 0.508 | S | S | . | . | trans | -57.2 | 142 | 161.3 | 37.5 | 0 | 0 | 0 | 0 | 107 | F372 T376 D377 | F372-S374 PolarHBondContact O-N 2.92Å; S374-T376 PolarHBondContact O-N 2.69Å; S374-T376 PolarHBondContact OG-OG1 3.1Å; S374-T376 VanDerWaalsContact OG-OG1 3.12Å; S374-D377 PolarHBondContact O-N 3.12Å | ||
| 375 | Q | 35.2 | Very low | 53.7 | Low | 195 Ų | 195 | 93.7 Ų | 93.7 | 91% | 0.911 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 6.5 | 177.1 | -77.2 | -171.9 | -18.1 | 0 | 0 | 114.5 | ||
| 376 | T | 37 | Very low | 51.7 | Low | 100 Ų | 100 | 99.1 Ų | 99.1 | 61% | 0.613 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -13.8 | 172.9 | 51.7 | 0 | 0 | 0 | 0 | 114.3 | S374 E378 | S374-T376 PolarHBondContact O-N 2.69Å; S374-T376 PolarHBondContact OG-OG1 3.1Å; S374-T376 VanDerWaalsContact OG-OG1 3.12Å; T376-E378 VanDerWaalsContact C-N 3.34Å; T376-E378 PolarHBondContact O-N 2.87Å |
| 377 | D | 37.9 | Very low | 49.6 | Very low | 83 Ų | 83 | 104.9 Ų | 104.9 | 44% | 0.444 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.9 | -4.2 | -177.4 | -73.4 | -4.4 | 0 | 0 | 0 | 113.9 | Y371 S374 N379 | Y371-D377 PolarHBondContact OH-OD2 3.36Å; S374-D377 PolarHBondContact O-N 3.12Å; D377-N379 VanDerWaalsContact C-N 3.3Å |
| 378 | E | 33.6 | Very low | 47.2 | Very low | 187 Ų | 187 | 106.2 Ų | 106.2 | 87% | 0.874 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 4.8 | 172.3 | -77.3 | -172.5 | 169.2 | 0 | 0 | 113.8 | T376 | T376-E378 VanDerWaalsContact C-N 3.34Å; T376-E378 PolarHBondContact O-N 2.87Å |
| 379 | N | 31.2 | Very low | 44.5 | Very low | 139 Ų | 139 | 114.2 Ų | 114.2 | 74% | 0.743 | 61% | 0.606 | S | S | * | * | trans | -109.9 | 41.1 | 178 | -79 | -25.2 | 0 | 0 | 0 | 113.9 | D377 | D377-N379 VanDerWaalsContact C-N 3.3Š| ||
| 380 | I | 34.4 | Very low | 41.7 | Very low | 159 Ų | 159 | 123.6 Ų | 123.6 | 82% | 0.815 | 66% | 0.655 | S | S | * | * | trans | -116.2 | 92.1 | 157.4 | -53.7 | -179.8 | 0 | 0 | 0 | 106.5 | ||||
| 381 | S | 29.6 | Very low | 39.1 | Very low | 183 Ų | 183 | 127 Ų | 127 | 100% | 1.28 | 68% | 0.684 | S | S | * | * | trans | -70.4 | 0 | 174.2 | -1.6 | 0 | 0 | 0 | 0 | 111.2 |
Retrieved 381 of 381 residues in 588.4 ms
(Link to these results)