| 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 | 88.5 | Confident | 85 | Confident | 149 Ų | 149 | 96.8 Ų | 96.8 | 73% | 0.734 | 51% | 0.51 | S | S | * | . | 0 | 138.5 | 0 | -171.2 | -178.2 | -74.8 | 0 | 0 | 107.5 | V3 T32 I34 | M1-V3 HydrophobicContact CG-CG2 3.73Å; M1-V3 HydrophobicContact SD-CG2 3.83Å; M1-T32 CarbonylContact C-O 3.54Å; M1-T32 WeakPolarHBondContact CA-O 3.28Å; M1-T32 HydrophobicContact CG-CG2 4.5Å; M1-I34 HydrophobicContact CE-CD1 4.28Å; M1-I34 HydrophobicContact CG-CD1 4.09Å; M1-I34 HydrophobicContact SD-CD1 3.65Å | |||
| 2 | Y | 91.1 | Very high | 85.7 | Confident | 50 Ų | 50 | 90.7 Ų | 90.7 | 20% | 0.196 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 114.2 | -178.6 | -56 | -93.6 | 0 | 0 | 0 | 106.6 | F14 Y31 T32 F33 I34 Y119 | Y2-F14 HydrophobicContact CE1-CB 4.17Å; Y2-F14 HydrophobicContact CE2-CB 4.31Å; Y2-F14 WeakPolarHBondContact OH-CB 3.43Å; Y2-Y31 AromaticContact CE2-CD1 3.91Å; Y2-Y31 HydrophobicContact CE2-CD1 3.91Å; Y2-T32 PolarHBondContact N-O 3.05Å; Y2-F33 HydrophobicContact CD1-CE1 4.32Å; Y2-F33 AromaticContact CD2-CD1 3.67Å; Y2-F33 HydrophobicContact CD2-CD1 3.67Å; Y2-F33 AromaticContact CD2-CE1 3.38Å; Y2-F33 HydrophobicContact CD2-CE1 3.38Å; Y2-F33 HydrophobicContact CD2-CE2 4.35Å; Y2-F33 HydrophobicContact CD2-CG 4.26Å; Y2-F33 AromaticContact CD2-CZ 3.77Å; Y2-F33 HydrophobicContact CD2-CZ 3.77Å; Y2-F33 AromaticContact CE2-CE1 3.89Å; Y2-F33 HydrophobicContact CE2-CE1 3.89Å; Y2-F33 AromaticContact CE2-CZ 3.91Å; Y2-F33 HydrophobicContact CE2-CZ 3.91Å; Y2-F33 AromaticContact CG-CD1 3.77Å; Y2-F33 HydrophobicContact CG-CD1 3.77Å; Y2-F33 AromaticContact CG-CE1 3.65Å; Y2-F33 HydrophobicContact CG-CE1 3.65Å; Y2-F33 HydrophobicContact CG-CZ 4.46Å; Y2-F33 CarbonylContact O-C 3.48Å; Y2-F33 WeakPolarHBondContact O-CA 3.4Å; Y2-I34 PolarHBondContact O-N 3.48Å; Y2-Y119 HydrophobicContact CD1-CD1 4.04Å; Y2-Y119 AromaticContact CD1-CE1 3.38Å; Y2-Y119 HydrophobicContact CD1-CE1 3.38Å; Y2-Y119 HydrophobicContact CD1-CE2 4.48Å; Y2-Y119 AromaticContact CD1-CZ 3.65Å; Y2-Y119 HydrophobicContact CE1-CD1 4.38Å; Y2-Y119 AromaticContact CE1-CE1 3.81Å; Y2-Y119 HydrophobicContact CE1-CE1 3.81Å; Y2-Y119 HydrophobicContact CG-CE1 4.18Å |
| 3 | V | 89.8 | Confident | 86.4 | Confident | 68 Ų | 68 | 90.2 Ų | 90.2 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 128.5 | -170.7 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | M1 T5 I34 | M1-V3 HydrophobicContact CG-CG2 3.73Å; M1-V3 HydrophobicContact SD-CG2 3.83Å; V3-T5 HydrophobicContact CG1-CG2 4.17Å; V3-T5 PolarHBondContact O-N 3.34Å; V3-I34 WeakPolarHBondContact CA-O 3.15Å; V3-I34 HydrophobicContact CG1-CB 4.31Å; V3-I34 HydrophobicContact CG1-CG2 4.31Å; V3-I34 HydrophobicContact CG2-CB 4.32Å; V3-I34 HydrophobicContact CG2-CD1 4.27Å |
| 4 | H | 88.3 | Confident | 87 | Confident | 16 Ų | 16 | 83.9 Ų | 83.9 | 7% | 0.074 | 46% | 0.461 | C | S | . | . | trans | -74.8 | 110.1 | 172.2 | -171.8 | -173.2 | 0 | 0 | 0 | 109.1 | I34 K36 F39 F121 | H4-I34 PolarHBondContact N-O 3.48Å; H4-K36 HydrophobicContact CB-CG 4.11Å; H4-K36 PolarHBondContact NE2-NZ 3.19Å; H4-K36 VanDerWaalsContact O-CE 3.29Å; H4-K36 WeakPolarHBondContact O-CE 3.43Å; H4-K36 VanDerWaalsContact O-CG 3.3Å; H4-K36 WeakPolarHBondContact O-CG 3.44Å; H4-F39 AromaticContact CE1-CD1 3.7Å; H4-F39 AromaticContact CE1-CD2 4Å; H4-F39 AromaticContact CE1-CE1 3.83Å; H4-F39 AromaticContact CE1-CG 3.8Å; H4-F39 AromaticContact ND1-CG 3.89Å; H4-F121 HydrophobicContact CB-CB 4.42Å; H4-F121 HydrophobicContact CB-CD1 4.07Å; H4-F121 HydrophobicContact CB-CD2 3.49Å; H4-F121 VanDerWaalsContact CB-CD2 3.49Å; H4-F121 HydrophobicContact CB-CE1 4.16Å; H4-F121 HydrophobicContact CB-CE2 3.6Å; H4-F121 HydrophobicContact CB-CG 3.74Å; H4-F121 HydrophobicContact CB-CZ 3.93Å; H4-F121 AromaticContact CG-CD2 3.65Å; H4-F121 AromaticContact CG-CG 3.82Å; H4-F121 AromaticContact ND1-CG 3.87Å | ||
| 5 | T | 84.1 | Confident | 87.6 | Confident | 68 Ų | 68 | 82.3 Ų | 82.3 | 42% | 0.417 | 45% | 0.454 | S | S | . | . | trans | -113 | 163.4 | 175.4 | 59.8 | 0 | 0 | 0 | 0 | 110.8 | V3 E7 G8 K36 | V3-T5 HydrophobicContact CG1-CG2 4.17Å; V3-T5 PolarHBondContact O-N 3.34Å; T5-E7 PolarHBondContact O-N 3.39Å; T5-G8 PolarHBondContact O-N 3.35Å; T5-G8 WeakPolarHBondContact OG1-CA 3.33Å; T5-G8 PolarHBondContact OG1-N 3.42Å; T5-G8 VanDerWaalsContact OG1-N 3.1Å; T5-K36 WeakPolarHBondContact O-CE 3.26Å; T5-K36 PolarHBondContact O-NZ 3.02Å | ||
| 6 | D | 80.9 | Confident | 88 | Confident | 149 Ų | 149 | 77.1 Ų | 77.1 | 80% | 0.797 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -29.9 | -178.9 | -67.3 | -41.2 | 0 | 0 | 0 | 113.2 | K36 | D6-K36 VanDerWaalsContact N-CE 3.35Å; D6-K36 WeakPolarHBondContact OD1-CE 3.5Å; D6-K36 IonicContact OD1-NZ 2.64Å; D6-K36 PolarHBondContact OD1-NZ 3.46Å |
| 7 | E | 80.1 | Confident | 88.2 | Confident | 198 Ų | 198 | 81.2 Ų | 81.2 | 93% | 0.925 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 2.9 | 175.9 | -58.5 | -179.6 | 175.7 | 0 | 0 | 112.5 | T5 | T5-E7 PolarHBondContact O-N 3.39Š|
| 8 | G | 74.4 | Confident | 88.4 | Confident | 29 Ų | 29 | 81.8 Ų | 81.8 | 30% | 0.299 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -89.5 | 165 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | T5 T10 | T5-G8 PolarHBondContact O-N 3.35Å; T5-G8 WeakPolarHBondContact OG1-CA 3.33Å; T5-G8 PolarHBondContact OG1-N 3.42Å; T5-G8 VanDerWaalsContact OG1-N 3.1Å; G8-T10 PolarHBondContact O-N 3.28Å |
| 9 | L | 78.4 | Confident | 88.5 | Confident | 130 Ų | 130 | 81.2 Ų | 81.2 | 68% | 0.681 | 43% | 0.428 | S | S | * | . | trans | -68 | 129.2 | 172.5 | -65.3 | 168.5 | 0 | 0 | 0 | 110.2 | E11 | L9-E11 WeakPolarHBondContact CB-O 3.24Š| ||
| 10 | T | 87.1 | Confident | 88.6 | Confident | 74 Ų | 74 | 81.5 Ų | 81.5 | 45% | 0.454 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -75.9 | -16.6 | 172.3 | 50.6 | 0 | 0 | 0 | 0 | 112.5 | G8 S120 F121 | G8-T10 PolarHBondContact O-N 3.28Å; T10-S120 CarbonylContact O-C 3.53Å; T10-S120 WeakPolarHBondContact O-CA 3.42Å; T10-F121 PolarHBondContact O-N 3.44Å |
| 11 | E | 92.2 | Very high | 88.7 | Confident | 134 Ų | 134 | 85.3 Ų | 85.3 | 63% | 0.626 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 153.5 | -179.8 | 61.9 | -178.1 | -170.6 | 0 | 0 | 111 | L9 Y119 | L9-E11 WeakPolarHBondContact CB-O 3.24Å; E11-Y119 CarbonylContact C-O 3.58Å; E11-Y119 VanDerWaalsContact CA-O 3.22Å; E11-Y119 WeakPolarHBondContact CA-O 3.34Å |
| 12 | G | 94 | Very high | 88.8 | Confident | 23 Ų | 23 | 84 Ų | 84 | 24% | 0.237 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.6 | -172.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T118 Y119 | G12-T118 CarbonylContact O-C 3.52Å; G12-T118 VanDerWaalsContact O-CA 3.22Å; G12-T118 WeakPolarHBondContact O-CA 3.3Å; G12-Y119 VanDerWaalsContact C-CD1 3.45Å; G12-Y119 VanDerWaalsContact CA-CE1 3.44Å; G12-Y119 PolarHBondContact N-O 3.4Å; G12-Y119 WeakPolarHBondContact O-CD1 3.07Å; G12-Y119 PolarHBondContact O-N 2.96Å |
| 13 | S | 94.4 | Very high | 88.9 | Confident | 84 Ų | 84 | 81.8 Ų | 81.8 | 59% | 0.587 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 151.9 | 177.3 | 60.9 | 0 | 0 | 0 | 0 | 112 | G117 | S13-G117 CarbonylContact C-O 3.54Å; S13-G117 VanDerWaalsContact CA-O 3.25Å; S13-G117 WeakPolarHBondContact CA-O 3.3Å; S13-G117 WeakPolarHBondContact CB-O 3.45Å |
| 14 | F | 95.2 | Very high | 88.9 | Confident | 2 Ų | 2 | 80.4 Ų | 80.4 | 1% | 0.009 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 144.8 | 172.8 | 67.4 | -87.5 | 0 | 0 | 0 | 109.2 | Y2 F33 L43 F45 I101 F115 A116 G117 Y119 | Y2-F14 HydrophobicContact CE1-CB 4.17Å; Y2-F14 HydrophobicContact CE2-CB 4.31Å; Y2-F14 WeakPolarHBondContact OH-CB 3.43Å; F14-F33 HydrophobicContact CB-CZ 4.24Å; F14-F33 HydrophobicContact CD1-CE1 4.21Å; F14-F33 AromaticContact CD1-CZ 3.96Å; F14-F33 HydrophobicContact CD1-CZ 3.96Å; F14-F33 HydrophobicContact CD2-CZ 4.43Å; F14-F33 HydrophobicContact CE1-CZ 4.44Å; F14-F33 HydrophobicContact CG-CE1 4.46Å; F14-F33 AromaticContact CG-CZ 3.95Å; F14-F33 HydrophobicContact CG-CZ 3.95Å; F14-L43 HydrophobicContact CE1-CB 4.44Å; F14-L43 HydrophobicContact CE1-CD2 4.06Å; F14-F45 HydrophobicContact CE2-CD1 4.29Å; F14-F45 AromaticContact CE2-CE1 3.75Å; F14-F45 HydrophobicContact CE2-CE1 3.75Å; F14-F45 HydrophobicContact CE2-CZ 4.05Å; F14-F45 HydrophobicContact CZ-CD1 4.25Å; F14-F45 AromaticContact CZ-CE1 3.92Å; F14-F45 HydrophobicContact CZ-CE1 3.92Å; F14-F45 HydrophobicContact CZ-CE2 4.3Å; F14-F45 AromaticContact CZ-CZ 3.95Å; F14-F45 HydrophobicContact CZ-CZ 3.95Å; F14-I101 HydrophobicContact CD2-CD1 4.3Å; F14-I101 HydrophobicContact CE2-CD1 3.75Å; F14-I101 HydrophobicContact CZ-CD1 4.16Å; F14-F115 HydrophobicContact CD2-CD2 4.16Å; F14-F115 AromaticContact CD2-CE2 3.92Å; F14-F115 HydrophobicContact CD2-CE2 3.92Å; F14-F115 AromaticContact CE2-CD2 3.9Å; F14-F115 HydrophobicContact CE2-CD2 3.9Å; F14-F115 AromaticContact CE2-CE2 3.93Å; F14-F115 HydrophobicContact CE2-CE2 3.93Å; F14-A116 WeakPolarHBondContact O-CA 3.26Å; F14-G117 PolarHBondContact N-O 3.16Å; F14-G117 PolarHBondContact O-N 2.87Å; F14-Y119 HydrophobicContact CD1-CD1 4.24Å |
| 15 | T | 95.9 | Very high | 89 | Confident | 60 Ų | 60 | 83 Ų | 83 | 37% | 0.368 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 151.4 | -178 | 60.7 | 0 | 0 | 0 | 0 | 111.4 | Y19 Y31 F115 A116 | T15-Y19 HydrophobicContact CG2-CD1 4.01Å; T15-Y19 HydrophobicContact CG2-CG 4.39Å; T15-Y31 WeakPolarHBondContact O-CE1 3.39Å; T15-Y31 PolarHBondContact O-OH 3.33Å; T15-F115 CarbonylContact C-O 3.51Å; T15-F115 WeakPolarHBondContact CA-O 3.48Å; T15-A116 HydrophobicContact CG2-CB 3.86Å |
| 16 | S | 94.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 85.8 Ų | 85.8 | 0% | 0 | 45% | 0.453 | C | S | . | . | trans | -62.9 | 150.3 | 164.9 | 61.2 | 0 | 0 | 0 | 0 | 110.3 | N18 Y19 Y31 G114 F115 | S16-N18 PolarHBondContact O-N 3.45Å; S16-Y19 VanDerWaalsContact O-CB 3.29Å; S16-Y19 WeakPolarHBondContact O-CB 3.4Å; S16-Y19 PolarHBondContact O-N 3.02Å; S16-Y31 WeakPolarHBondContact CA-OH 3.11Å; S16-G114 VanDerWaalsContact OG-CA 3.25Å; S16-G114 WeakPolarHBondContact OG-CA 3.14Å; S16-F115 PolarHBondContact N-O 3.08Å; S16-F115 PolarHBondContact OG-N 3.24Å; S16-F115 PolarHBondContact OG-O 3.2Å | ||
| 17 | R | 90.8 | Very high | 89.7 | Confident | 146 Ų | 146 | 79.6 Ų | 79.6 | 55% | 0.551 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 131.2 | 179.1 | -165.2 | 168.4 | -172.9 | 174.7 | 2.1 | 111.5 | Y19 Y23 L27 | R17-Y19 VanDerWaalsContact C-N 3.3Å; R17-Y19 PolarHBondContact O-N 3.41Å; R17-Y23 WeakPolarHBondContact O-CA 3.39Å; R17-Y23 WeakPolarHBondContact O-CB 3.29Å; R17-L27 HydrophobicContact CB-CD2 4.05Å |
| 18 | N | 91.4 | Very high | 90.2 | Very high | 92 Ų | 92 | 76 Ų | 76 | 49% | 0.492 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 0.7 | -177.5 | -55.7 | -22.3 | 0 | 0 | 0 | 117.1 | S16 K21 | S16-N18 PolarHBondContact O-N 3.45Å; N18-K21 CarbonylContact C-O 3.53Å; N18-K21 HydrophobicContact CB-CB 4.25Å; N18-K21 VanDerWaalsContact O-CA 3.31Å; N18-K21 WeakPolarHBondContact O-CA 3.4Å; N18-K21 WeakPolarHBondContact O-CB 3.41Å; N18-K21 PolarHBondContact O-N 2.92Å |
| 19 | Y | 91.1 | Very high | 91.2 | Very high | 70 Ų | 70 | 75.9 Ų | 75.9 | 28% | 0.275 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 136.1 | 179.1 | -177.5 | -88.5 | 0 | 0 | 0 | 112 | T15 S16 R17 S47 Q113 A116 | T15-Y19 HydrophobicContact CG2-CD1 4.01Å; T15-Y19 HydrophobicContact CG2-CG 4.39Å; S16-Y19 VanDerWaalsContact O-CB 3.29Å; S16-Y19 WeakPolarHBondContact O-CB 3.4Å; S16-Y19 PolarHBondContact O-N 3.02Å; R17-Y19 VanDerWaalsContact C-N 3.3Å; R17-Y19 PolarHBondContact O-N 3.41Å; Y19-S47 VanDerWaalsContact OH-CB 3.31Å; Y19-S47 WeakPolarHBondContact OH-CB 3.2Å; Y19-S47 PolarHBondContact OH-OG 3.48Å; Y19-Q113 WeakPolarHBondContact CD2-O 3.48Å; Y19-Q113 HydrophobicContact CE2-CG 4.17Å; Y19-A116 HydrophobicContact CD1-CB 3.82Å; Y19-A116 HydrophobicContact CD2-CB 4.14Å; Y19-A116 HydrophobicContact CE1-CB 3.44Å; Y19-A116 VanDerWaalsContact CE1-CB 3.44Å; Y19-A116 HydrophobicContact CE2-CB 3.8Å; Y19-A116 HydrophobicContact CG-CB 4.16Å; Y19-A116 VanDerWaalsContact CZ-CB 3.43Å |
| 20 | P | 91.1 | Very high | 91.9 | Very high | 87 Ų | 87 | 74.3 Ų | 74.3 | 57% | 0.565 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -86.1 | 9.2 | 5.2 | 35.3 | -36.8 | 0 | 0 | 0 | 114.8 | ||
| 21 | K | 90.9 | Very high | 92.3 | Very high | 162 Ų | 162 | 71.8 Ų | 71.8 | 70% | 0.704 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -78.3 | 160.5 | 172.2 | -55.3 | 178.8 | 178.5 | 177.3 | 0 | 110.3 | N18 Y23 | N18-K21 CarbonylContact C-O 3.53Å; N18-K21 HydrophobicContact CB-CB 4.25Å; N18-K21 VanDerWaalsContact O-CA 3.31Å; N18-K21 WeakPolarHBondContact O-CA 3.4Å; N18-K21 WeakPolarHBondContact O-CB 3.41Å; N18-K21 PolarHBondContact O-N 2.92Å; K21-Y23 PolarHBondContact O-N 3.47Å |
| 22 | K | 90 | Very high | 92.4 | Very high | 121 Ų | 121 | 66.4 Ų | 66.4 | 53% | 0.526 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 133.5 | 178 | -66.4 | -173.8 | 171.3 | -159.6 | 0 | 112.1 | G111 G112 | K22-G111 WeakPolarHBondContact CD-O 3.16Å; K22-G111 WeakPolarHBondContact CE-O 3.46Å; K22-G111 PolarHBondContact NZ-O 2.87Å; K22-G112 VanDerWaalsContact CA-O 3.28Å; K22-G112 WeakPolarHBondContact CA-O 3.46Å |
| 23 | Y | 92.3 | Very high | 92.5 | Very high | 5 Ų | 5 | 65.3 Ų | 65.3 | 2% | 0.02 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 149.9 | 170.5 | 52.3 | -97.4 | 0 | 0 | 0 | 110.5 | R17 K21 L50 A51 D59 F103 V105 G112 G114 | R17-Y23 WeakPolarHBondContact O-CA 3.39Å; R17-Y23 WeakPolarHBondContact O-CB 3.29Å; K21-Y23 PolarHBondContact O-N 3.47Å; Y23-L50 HydrophobicContact CE1-CD2 3.72Å; Y23-L50 WeakPolarHBondContact OH-CA 3.32Å; Y23-A51 PolarHBondContact OH-N 3.42Å; Y23-D59 VanDerWaalsContact CE2-OD2 3.31Å; Y23-D59 WeakPolarHBondContact CE2-OD2 3.41Å; Y23-D59 PolarHBondContact OH-OD2 2.98Å; Y23-D59 VanDerWaalsContact OH-OD2 3.08Å; Y23-F103 HydrophobicContact CD1-CE1 4.47Å; Y23-F103 AromaticContact CD1-CZ 3.96Å; Y23-F103 HydrophobicContact CD1-CZ 3.96Å; Y23-F103 HydrophobicContact CD2-CE1 4.38Å; Y23-F103 AromaticContact CD2-CZ 3.87Å; Y23-F103 HydrophobicContact CD2-CZ 3.87Å; Y23-F103 HydrophobicContact CE1-CZ 4.06Å; Y23-F103 AromaticContact CE2-CZ 3.97Å; Y23-F103 HydrophobicContact CE2-CZ 3.97Å; Y23-F103 HydrophobicContact CG-CE1 4.15Å; Y23-F103 AromaticContact CG-CZ 3.85Å; Y23-F103 HydrophobicContact CG-CZ 3.85Å; Y23-V105 HydrophobicContact CD2-CB 4.46Å; Y23-V105 HydrophobicContact CD2-CG1 3.9Å; Y23-V105 HydrophobicContact CD2-CG2 3.68Å; Y23-V105 HydrophobicContact CE2-CB 4.41Å; Y23-V105 HydrophobicContact CE2-CG1 3.74Å; Y23-V105 HydrophobicContact CE2-CG2 3.73Å; Y23-G112 VanDerWaalsContact CD1-O 3.27Å; Y23-G112 WeakPolarHBondContact CD1-O 3.3Å; Y23-G112 VanDerWaalsContact CE1-N 3.26Å; Y23-G112 VanDerWaalsContact CE1-O 3.27Å; Y23-G112 WeakPolarHBondContact CE1-O 3.35Å; Y23-G112 PolarHBondContact OH-N 3.06Å; Y23-G114 VanDerWaalsContact CD1-CA 3.48Å |
| 24 | P | 90.4 | Very high | 92.5 | Very high | 39 Ų | 39 | 62.9 Ų | 62.9 | 25% | 0.253 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -73 | 152.5 | 179.8 | 30.5 | -34.6 | 0 | 0 | 0 | 111.9 | L27 | P24-L27 HydrophobicContact CG-CD1 4.49Å; P24-L27 HydrophobicContact CG-CD2 4.1Å |
| 25 | P | 90 | Very high | 92.4 | Very high | 70 Ų | 70 | 63 Ų | 63 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -69.1 | 166.3 | 172.4 | 30.4 | -35.2 | 0 | 0 | 0 | 112.1 | L27 | P25-L27 PolarHBondContact O-N 3.07Š|
| 26 | N | 89.6 | Confident | 92.2 | Very high | 127 Ų | 127 | 62.7 Ų | 62.7 | 68% | 0.679 | 31% | 0.31 | S | S | * | . | S | Bend | trans | 54.1 | 49.2 | 177.7 | -160.2 | 35.6 | 0 | 0 | 0 | 113.5 | V105 R106 | N26-V105 WeakPolarHBondContact CA-O 3.5Å; N26-R106 PolarHBondContact N-O 3.31Å |
| 27 | L | 89.6 | Confident | 91.9 | Very high | 18 Ų | 18 | 70.1 Ų | 70.1 | 9% | 0.094 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 136.9 | -173.7 | -178.1 | 73.4 | 0 | 0 | 0 | 110.1 | R17 P24 P25 F103 V105 | R17-L27 HydrophobicContact CB-CD2 4.05Å; P24-L27 HydrophobicContact CG-CD1 4.49Å; P24-L27 HydrophobicContact CG-CD2 4.1Å; P25-L27 PolarHBondContact O-N 3.07Å; L27-F103 HydrophobicContact CD2-CD1 4.38Å; L27-F103 HydrophobicContact CD2-CE1 4.17Å; L27-V105 HydrophobicContact CB-CB 4.02Å; L27-V105 HydrophobicContact CB-CG2 4.15Å; L27-V105 PolarHBondContact N-O 2.91Å; L27-V105 PolarHBondContact O-N 2.74Å |
| 28 | Q | 92.3 | Very high | 91.9 | Very high | 124 Ų | 124 | 69.4 Ų | 69.4 | 58% | 0.579 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 124.1 | 164.7 | -171.2 | 171.1 | -8.3 | 0 | 0 | 109 | V102 F103 | Q28-V102 HydrophobicContact CG-CG1 4.48Å; Q28-F103 VanDerWaalsContact CA-O 3.3Å; Q28-F103 WeakPolarHBondContact CA-O 3.02Å |
| 29 | C | 94 | Very high | 92 | Very high | 26 Ų | 26 | 68.3 Ų | 68.3 | 18% | 0.176 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 135.2 | 177.1 | -67.8 | 0 | 0 | 0 | 0 | 110 | Y31 F103 | C29-Y31 HydrophobicContact CB-CD2 4.31Å; C29-Y31 HydrophobicContact CB-CE2 3.53Å; C29-F103 HydrophobicContact CB-CB 4.29Å; C29-F103 HydrophobicContact CB-CD1 4.48Å; C29-F103 PolarHBondContact N-O 2.87Å; C29-F103 PolarHBondContact O-N 2.95Å |
| 30 | I | 93.8 | Very high | 92.1 | Very high | 96 Ų | 96 | 65.3 Ų | 65.3 | 49% | 0.492 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 117.4 | 177.4 | -56.6 | 175.7 | 0 | 0 | 0 | 108 | V100 I101 | I30-V100 HydrophobicContact CG2-CG1 3.76Å; I30-I101 WeakPolarHBondContact CA-O 3.21Å |
| 31 | Y | 95.1 | Very high | 92.4 | Very high | 22 Ų | 22 | 61.1 Ų | 61.1 | 9% | 0.086 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 98.7 | 177 | -55.9 | -104.1 | 0 | 0 | 0 | 108.2 | Y2 T15 S16 C29 V100 I101 F103 F115 | Y2-Y31 AromaticContact CE2-CD1 3.91Å; Y2-Y31 HydrophobicContact CE2-CD1 3.91Å; T15-Y31 WeakPolarHBondContact O-CE1 3.39Å; T15-Y31 PolarHBondContact O-OH 3.33Å; S16-Y31 WeakPolarHBondContact CA-OH 3.11Å; C29-Y31 HydrophobicContact CB-CD2 4.31Å; C29-Y31 HydrophobicContact CB-CE2 3.53Å; Y31-V100 WeakPolarHBondContact O-CA 2.98Å; Y31-I101 HydrophobicContact CD2-CB 4.34Å; Y31-I101 PolarHBondContact N-O 2.86Å; Y31-I101 PolarHBondContact O-N 2.9Å; Y31-F103 HydrophobicContact CE2-CB 4.1Å; Y31-F115 HydrophobicContact CD2-CZ 4.44Å; Y31-F115 HydrophobicContact CE2-CE2 4.4Å; Y31-F115 AromaticContact CE2-CZ 3.78Å; Y31-F115 HydrophobicContact CE2-CZ 3.78Å |
| 32 | T | 94.4 | Very high | 92.6 | Very high | 21 Ų | 21 | 56.5 Ų | 56.5 | 13% | 0.129 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 125.9 | 177.1 | -50.6 | 0 | 0 | 0 | 0 | 110.2 | M1 Y2 I34 V100 | M1-T32 CarbonylContact C-O 3.54Å; M1-T32 WeakPolarHBondContact CA-O 3.28Å; M1-T32 HydrophobicContact CG-CG2 4.5Å; Y2-T32 PolarHBondContact N-O 3.05Å; T32-I34 HydrophobicContact CG2-CD1 4.21Å; T32-I34 HydrophobicContact CG2-CG1 3.94Å; T32-V100 HydrophobicContact CG2-CG2 4.01Å |
| 33 | F | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 126 | 175 | -57.9 | -95.3 | 0 | 0 | 0 | 109.1 | Y2 F14 V41 L43 F98 A99 I101 Y119 | Y2-F33 HydrophobicContact CD1-CE1 4.32Å; Y2-F33 AromaticContact CD2-CD1 3.67Å; Y2-F33 HydrophobicContact CD2-CD1 3.67Å; Y2-F33 AromaticContact CD2-CE1 3.38Å; Y2-F33 HydrophobicContact CD2-CE1 3.38Å; Y2-F33 HydrophobicContact CD2-CE2 4.35Å; Y2-F33 HydrophobicContact CD2-CG 4.26Å; Y2-F33 AromaticContact CD2-CZ 3.77Å; Y2-F33 HydrophobicContact CD2-CZ 3.77Å; Y2-F33 AromaticContact CE2-CE1 3.89Å; Y2-F33 HydrophobicContact CE2-CE1 3.89Å; Y2-F33 AromaticContact CE2-CZ 3.91Å; Y2-F33 HydrophobicContact CE2-CZ 3.91Å; Y2-F33 AromaticContact CG-CD1 3.77Å; Y2-F33 HydrophobicContact CG-CD1 3.77Å; Y2-F33 AromaticContact CG-CE1 3.65Å; Y2-F33 HydrophobicContact CG-CE1 3.65Å; Y2-F33 HydrophobicContact CG-CZ 4.46Å; Y2-F33 CarbonylContact O-C 3.48Å; Y2-F33 WeakPolarHBondContact O-CA 3.4Å; F14-F33 HydrophobicContact CB-CZ 4.24Å; F14-F33 HydrophobicContact CD1-CE1 4.21Å; F14-F33 AromaticContact CD1-CZ 3.96Å; F14-F33 HydrophobicContact CD1-CZ 3.96Å; F14-F33 HydrophobicContact CD2-CZ 4.43Å; F14-F33 HydrophobicContact CE1-CZ 4.44Å; F14-F33 HydrophobicContact CG-CE1 4.46Å; F14-F33 AromaticContact CG-CZ 3.95Å; F14-F33 HydrophobicContact CG-CZ 3.95Å; F33-V41 HydrophobicContact CB-CB 4.36Å; F33-V41 HydrophobicContact CB-CG1 3.61Å; F33-V41 HydrophobicContact CB-CG2 3.87Å; F33-V41 HydrophobicContact CD1-CG1 4.29Å; F33-V41 HydrophobicContact CG-CG1 3.97Å; F33-L43 HydrophobicContact CD1-CD2 3.93Å; F33-L43 HydrophobicContact CD2-CD1 4.4Å; F33-L43 HydrophobicContact CD2-CD2 4.06Å; F33-L43 HydrophobicContact CE1-CD2 3.72Å; F33-L43 HydrophobicContact CE2-CD1 4.25Å; F33-L43 HydrophobicContact CE2-CD2 3.85Å; F33-L43 HydrophobicContact CG-CD2 4.11Å; F33-L43 HydrophobicContact CZ-CD2 3.67Å; F33-F98 WeakPolarHBondContact O-CA 3.22Å; F33-A99 HydrophobicContact CB-CB 4.4Å; F33-A99 HydrophobicContact CD2-CB 4.49Å; F33-A99 WeakPolarHBondContact CD2-O 3.41Å; F33-A99 PolarHBondContact N-O 2.86Å; F33-A99 PolarHBondContact O-N 3.34Å; F33-A99 VanDerWaalsContact O-N 3.13Å; F33-I101 HydrophobicContact CE2-CD1 3.81Å; F33-I101 HydrophobicContact CE2-CG1 4.07Å; F33-I101 HydrophobicContact CZ-CD1 4.28Å; F33-Y119 HydrophobicContact CD1-CD1 4.48Å; F33-Y119 HydrophobicContact CD1-CD2 4.27Å; F33-Y119 AromaticContact CD1-CG 3.97Å; F33-Y119 HydrophobicContact CD1-CG 3.97Å; F33-Y119 AromaticContact CE1-CD1 3.86Å; F33-Y119 HydrophobicContact CE1-CD1 3.86Å; F33-Y119 HydrophobicContact CE1-CD2 4.43Å; F33-Y119 AromaticContact CE1-CG 3.71Å; F33-Y119 HydrophobicContact CE1-CG 3.71Å |
| 34 | I | 94.1 | Very high | 93.1 | Very high | 33 Ų | 33 | 52.3 Ų | 52.3 | 17% | 0.169 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 105.7 | -175.1 | -58.4 | 178.3 | 0 | 0 | 0 | 108.3 | M1 Y2 V3 H4 T32 P70 F98 | M1-I34 HydrophobicContact CE-CD1 4.28Å; M1-I34 HydrophobicContact CG-CD1 4.09Å; M1-I34 HydrophobicContact SD-CD1 3.65Å; Y2-I34 PolarHBondContact O-N 3.48Å; V3-I34 WeakPolarHBondContact CA-O 3.15Å; V3-I34 HydrophobicContact CG1-CB 4.31Å; V3-I34 HydrophobicContact CG1-CG2 4.31Å; V3-I34 HydrophobicContact CG2-CB 4.32Å; V3-I34 HydrophobicContact CG2-CD1 4.27Å; H4-I34 PolarHBondContact N-O 3.48Å; T32-I34 HydrophobicContact CG2-CD1 4.21Å; T32-I34 HydrophobicContact CG2-CG1 3.94Å; I34-P70 HydrophobicContact CD1-CB 4.34Å; I34-F98 HydrophobicContact CB-CD1 4.25Å; I34-F98 HydrophobicContact CB-CE1 4.2Å; I34-F98 HydrophobicContact CG1-CD1 3.97Å; I34-F98 HydrophobicContact CG1-CE1 4.07Å; I34-F98 HydrophobicContact CG2-CD1 4.12Å; I34-F98 HydrophobicContact CG2-CE1 3.59Å |
| 35 | A | 93.2 | Very high | 93.4 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 3% | 0.033 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 155.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | F39 V41 N97 F121 | A35-F39 HydrophobicContact CB-CB 3.86Å; A35-F39 WeakPolarHBondContact CB-O 3.29Å; A35-V41 HydrophobicContact CB-CG2 4.11Å; A35-N97 HydrophobicContact CB-CB 4.07Å; A35-N97 WeakPolarHBondContact CB-O 2.89Å; A35-N97 PolarHBondContact N-O 2.87Å; A35-F121 HydrophobicContact CB-CD1 3.65Å; A35-F121 HydrophobicContact CB-CE1 4.16Å; A35-F121 HydrophobicContact CB-CG 4.48Å |
| 36 | K | 92.1 | Very high | 93.6 | Very high | 53 Ų | 53 | 53.3 Ų | 53.3 | 23% | 0.23 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 167.7 | 167.7 | -65.7 | -178.1 | -166.6 | 148.2 | 0 | 111.1 | H4 T5 D6 F39 | H4-K36 HydrophobicContact CB-CG 4.11Å; H4-K36 PolarHBondContact NE2-NZ 3.19Å; H4-K36 VanDerWaalsContact O-CE 3.29Å; H4-K36 WeakPolarHBondContact O-CE 3.43Å; H4-K36 VanDerWaalsContact O-CG 3.3Å; H4-K36 WeakPolarHBondContact O-CG 3.44Å; T5-K36 WeakPolarHBondContact O-CE 3.26Å; T5-K36 PolarHBondContact O-NZ 3.02Å; D6-K36 VanDerWaalsContact N-CE 3.35Å; D6-K36 WeakPolarHBondContact OD1-CE 3.5Å; D6-K36 IonicContact OD1-NZ 2.64Å; D6-K36 PolarHBondContact OD1-NZ 3.46Å; K36-F39 HydrophobicContact CB-CD2 4.33Å; K36-F39 PolarHBondContact O-N 3.43Å; K36-F39 VanDerWaalsContact O-N 3.11Å |
| 37 | E | 88.5 | Confident | 93.8 | Very high | 156 Ų | 156 | 48.6 Ų | 48.6 | 73% | 0.729 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 141.5 | 168.7 | -65 | -175.9 | 172.5 | 0 | 0 | 111.2 | F39 | E37-F39 WeakPolarHBondContact O-CD2 3.27Å; E37-F39 PolarHBondContact O-N 2.93Å |
| 38 | H | 89.8 | Confident | 94 | Very high | 132 Ų | 132 | 48.6 Ų | 48.6 | 61% | 0.611 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 15.5 | -175.7 | -49 | -60.5 | 0 | 0 | 0 | 115.7 | E124 | H38-E124 VanDerWaalsContact O-CB 3.24Å; H38-E124 WeakPolarHBondContact O-CB 3.36Å; H38-E124 PolarHBondContact O-N 2.77Å |
| 39 | F | 93.6 | Very high | 94 | Very high | 68 Ų | 68 | 46.4 Ų | 46.4 | 30% | 0.298 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 150.7 | 169.5 | -74.2 | -101.1 | 0 | 0 | 0 | 110.9 | H4 A35 K36 E37 N97 F121 I122 | H4-F39 AromaticContact CE1-CD1 3.7Å; H4-F39 AromaticContact CE1-CD2 4Å; H4-F39 AromaticContact CE1-CE1 3.83Å; H4-F39 AromaticContact CE1-CG 3.8Å; H4-F39 AromaticContact ND1-CG 3.89Å; A35-F39 HydrophobicContact CB-CB 3.86Å; A35-F39 WeakPolarHBondContact CB-O 3.29Å; K36-F39 HydrophobicContact CB-CD2 4.33Å; K36-F39 PolarHBondContact O-N 3.43Å; K36-F39 VanDerWaalsContact O-N 3.11Å; E37-F39 WeakPolarHBondContact O-CD2 3.27Å; E37-F39 PolarHBondContact O-N 2.93Å; F39-N97 WeakPolarHBondContact O-CA 3.42Å; F39-N97 WeakPolarHBondContact O-CB 3.41Å; F39-F121 HydrophobicContact CD1-CB 4.39Å; F39-I122 CarbonylContact C-O 3.5Å; F39-I122 WeakPolarHBondContact CA-O 3.36Å; F39-I122 WeakPolarHBondContact CD1-O 3.36Å |
| 40 | R | 94.6 | Very high | 94 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 157.7 | 176.4 | -63.3 | 178.8 | 173.5 | -157.9 | 2.5 | 110 | S94 L95 F121 I122 E124 Y127 P155 | R40-S94 WeakPolarHBondContact CD-O 3.39Å; R40-L95 PolarHBondContact NE-O 2.89Å; R40-L95 PolarHBondContact NH2-O 3.27Å; R40-F121 CarbonylContact O-C 3.55Å; R40-F121 WeakPolarHBondContact O-CA 3.47Å; R40-I122 HydrophobicContact CB-CG1 4.03Å; R40-I122 PolarHBondContact N-O 3.01Å; R40-I122 PolarHBondContact O-N 3.16Å; R40-E124 HydrophobicContact CG-CB 4.23Å; R40-E124 IonicContact CZ-OE1 3.13Å; R40-E124 IonicContact NE-OE1 2.65Å; R40-E124 PolarHBondContact NE-OE1 3.24Å; R40-E124 IonicContact NH2-OE1 2.82Å; R40-E124 PolarHBondContact NH2-OE1 3.35Å; R40-Y127 VanDerWaalsContact NH1-CG 3.3Å; R40-P155 PolarHBondContact NH1-O 3.09Å |
| 41 | V | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 122.8 | 176.9 | -173.1 | 0 | 0 | 0 | 0 | 109 | F33 A35 L43 I93 S94 A99 F121 | F33-V41 HydrophobicContact CB-CB 4.36Å; F33-V41 HydrophobicContact CB-CG1 3.61Å; F33-V41 HydrophobicContact CB-CG2 3.87Å; F33-V41 HydrophobicContact CD1-CG1 4.29Å; F33-V41 HydrophobicContact CG-CG1 3.97Å; A35-V41 HydrophobicContact CB-CG2 4.11Å; V41-L43 HydrophobicContact CG1-CD2 3.73Å; V41-L43 HydrophobicContact CG1-CG 4Å; V41-I93 CarbonylContact O-C 3.55Å; V41-I93 WeakPolarHBondContact O-CA 3.19Å; V41-S94 PolarHBondContact N-OG 2.76Å; V41-S94 PolarHBondContact O-N 3.48Å; V41-A99 HydrophobicContact CB-CB 3.93Å; V41-A99 HydrophobicContact CG1-CB 3.97Å; V41-A99 HydrophobicContact CG2-CB 4.27Å; V41-F121 HydrophobicContact CG2-CD1 4.19Å; V41-F121 HydrophobicContact CG2-CE1 4.09Å |
| 42 | K | 96.4 | Very high | 93.2 | Very high | 65 Ų | 65 | 42.1 Ų | 42.1 | 28% | 0.283 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 127.4 | 168.3 | 171.3 | 176.1 | 178.6 | -172.7 | 0 | 109.6 | V44 I91 I92 I93 Y119 S120 I122 | K42-V44 HydrophobicContact CG-CG2 4.31Å; K42-I91 HydrophobicContact CG-CG2 4.3Å; K42-I92 CarbonylContact C-O 3.57Å; K42-I92 VanDerWaalsContact CA-O 3.29Å; K42-I92 WeakPolarHBondContact CA-O 3.49Å; K42-I93 HydrophobicContact CB-CD1 3.6Å; K42-I93 HydrophobicContact CD-CD1 3.91Å; K42-I93 HydrophobicContact CG-CD1 3.56Å; K42-Y119 CarbonylContact O-C 3.56Å; K42-Y119 VanDerWaalsContact O-CA 3.27Å; K42-Y119 WeakPolarHBondContact O-CA 3.26Å; K42-S120 WeakPolarHBondContact CB-OG 2.84Å; K42-S120 PolarHBondContact N-O 3.41Å; K42-S120 PolarHBondContact O-N 2.89Å; K42-I122 HydrophobicContact CB-CD1 4.21Å; K42-I122 HydrophobicContact CB-CG1 4.38Å; K42-I122 HydrophobicContact CB-CG2 4.01Å; K42-I122 HydrophobicContact CD-CG2 4.16Å |
| 43 | L | 96.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 132.3 | 176.5 | -50.7 | 169.1 | 0 | 0 | 0 | 109.7 | F14 F33 V41 I92 A99 I101 | F14-L43 HydrophobicContact CE1-CB 4.44Å; F14-L43 HydrophobicContact CE1-CD2 4.06Å; F33-L43 HydrophobicContact CD1-CD2 3.93Å; F33-L43 HydrophobicContact CD2-CD1 4.4Å; F33-L43 HydrophobicContact CD2-CD2 4.06Å; F33-L43 HydrophobicContact CE1-CD2 3.72Å; F33-L43 HydrophobicContact CE2-CD1 4.25Å; F33-L43 HydrophobicContact CE2-CD2 3.85Å; F33-L43 HydrophobicContact CG-CD2 4.11Å; F33-L43 HydrophobicContact CZ-CD2 3.67Å; V41-L43 HydrophobicContact CG1-CD2 3.73Å; V41-L43 HydrophobicContact CG1-CG 4Å; L43-I92 HydrophobicContact CB-CB 4.15Å; L43-I92 HydrophobicContact CD1-CB 4.4Å; L43-I92 HydrophobicContact CD1-CG2 4.41Å; L43-I92 PolarHBondContact N-O 3.35Å; L43-I92 PolarHBondContact O-N 2.85Å; L43-A99 HydrophobicContact CD1-CB 4.23Å; L43-I101 HydrophobicContact CD1-CD1 4.08Å; L43-I101 HydrophobicContact CD1-CG1 4.21Å |
| 44 | V | 96.1 | Very high | 91.2 | Very high | 38 Ų | 38 | 48.4 Ų | 48.4 | 23% | 0.23 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 127.7 | 176.9 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | K42 I91 G117 T118 | K42-V44 HydrophobicContact CG-CG2 4.31Å; V44-I91 HydrophobicContact CG2-CG1 4.41Å; V44-I91 HydrophobicContact CG2-CG2 4.48Å; V44-G117 CarbonylContact O-C 3.48Å; V44-G117 WeakPolarHBondContact O-CA 3.08Å; V44-T118 PolarHBondContact N-O 3.21Å; V44-T118 PolarHBondContact O-N 2.99Å |
| 45 | F | 95.5 | Very high | 90.4 | Very high | 23 Ų | 23 | 51.6 Ų | 51.6 | 10% | 0.101 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 118.7 | 177.8 | -70.7 | -97.9 | 0 | 0 | 0 | 109.4 | F14 F48 I61 I63 P89 I101 F115 | F14-F45 HydrophobicContact CE2-CD1 4.29Å; F14-F45 AromaticContact CE2-CE1 3.75Å; F14-F45 HydrophobicContact CE2-CE1 3.75Å; F14-F45 HydrophobicContact CE2-CZ 4.05Å; F14-F45 HydrophobicContact CZ-CD1 4.25Å; F14-F45 AromaticContact CZ-CE1 3.92Å; F14-F45 HydrophobicContact CZ-CE1 3.92Å; F14-F45 HydrophobicContact CZ-CE2 4.3Å; F14-F45 AromaticContact CZ-CZ 3.95Å; F14-F45 HydrophobicContact CZ-CZ 3.95Å; F45-F48 AromaticContact CD1-CD2 3.94Å; F45-F48 HydrophobicContact CD1-CD2 3.94Å; F45-F48 HydrophobicContact CE1-CD2 4.27Å; F45-F48 HydrophobicContact CE1-CE2 4.48Å; F45-I61 HydrophobicContact CE1-CD1 3.74Å; F45-I61 HydrophobicContact CZ-CD1 3.63Å; F45-I63 HydrophobicContact CE2-CD1 4.07Å; F45-I63 HydrophobicContact CZ-CD1 4.08Å; F45-P89 HydrophobicContact CD2-CB 3.92Å; F45-P89 HydrophobicContact CD2-CG 3.8Å; F45-P89 HydrophobicContact CE1-CG 4.37Å; F45-P89 HydrophobicContact CE2-CB 3.88Å; F45-P89 HydrophobicContact CE2-CG 3.61Å; F45-P89 HydrophobicContact CG-CG 4.29Å; F45-P89 HydrophobicContact CZ-CG 3.91Å; F45-I101 HydrophobicContact CZ-CD1 3.97Å; F45-F115 HydrophobicContact CD1-CB 4.28Å; F45-F115 HydrophobicContact CD1-CD2 4.45Å; F45-F115 HydrophobicContact CE1-CB 4.44Å; F45-F115 AromaticContact CE1-CD2 3.99Å; F45-F115 HydrophobicContact CE1-CD2 3.99Å; F45-F115 HydrophobicContact CE1-CG 4.33Å |
| 46 | D | 94.2 | Very high | 89.8 | Confident | 107 Ų | 107 | 59.1 Ų | 59.1 | 57% | 0.572 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -30.1 | 179 | -54.2 | -50.5 | 0 | 0 | 0 | 111.4 | A116 G117 | D46-A116 PolarHBondContact N-O 3.5Å; D46-G117 WeakPolarHBondContact OD2-CA 3.4Å |
| 47 | S | 94.7 | Very high | 89.3 | Confident | 28 Ų | 28 | 58.8 Ų | 58.8 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 135.5 | 177.1 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | Y19 F115 A116 | Y19-S47 VanDerWaalsContact OH-CB 3.31Å; Y19-S47 WeakPolarHBondContact OH-CB 3.2Å; Y19-S47 PolarHBondContact OH-OG 3.48Å; S47-F115 CarbonylContact O-C 3.6Å; S47-F115 WeakPolarHBondContact O-CA 3.2Å; S47-F115 WeakPolarHBondContact O-CB 3.45Å; S47-A116 PolarHBondContact N-O 3.33Å; S47-A116 PolarHBondContact O-N 3.06Å |
| 48 | F | 94.1 | Very high | 89.2 | Confident | 17 Ų | 17 | 55 Ų | 55 | 8% | 0.075 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 111.2 | 180 | -168.1 | -90.7 | 0 | 0 | 0 | 111.2 | F45 L50 I61 V87 P89 F115 | F45-F48 AromaticContact CD1-CD2 3.94Å; F45-F48 HydrophobicContact CD1-CD2 3.94Å; F45-F48 HydrophobicContact CE1-CD2 4.27Å; F45-F48 HydrophobicContact CE1-CE2 4.48Å; F48-L50 HydrophobicContact CE1-CD1 4.18Å; F48-L50 HydrophobicContact CE1-CG 4.11Å; F48-L50 HydrophobicContact CE2-CD1 4.05Å; F48-L50 HydrophobicContact CE2-CG 4.29Å; F48-L50 HydrophobicContact CZ-CD1 3.52Å; F48-L50 HydrophobicContact CZ-CG 3.84Å; F48-I61 HydrophobicContact CE2-CD1 3.56Å; F48-I61 HydrophobicContact CE2-CG1 3.81Å; F48-I61 HydrophobicContact CZ-CD1 4.21Å; F48-I61 HydrophobicContact CZ-CG1 3.99Å; F48-V87 WeakPolarHBondContact CD1-O 3.33Å; F48-V87 WeakPolarHBondContact CE1-O 3.42Å; F48-P89 HydrophobicContact CE2-CG 4.5Å; F48-F115 HydrophobicContact CD2-CB 3.72Å; F48-F115 HydrophobicContact CE2-CB 4.29Å |
| 49 | Q | 92.2 | Very high | 89.3 | Confident | 79 Ų | 79 | 48.8 Ų | 48.8 | 37% | 0.369 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 96.9 | 175.7 | -174.3 | 64.3 | 62 | 0 | 0 | 110.5 | G85 Q113 G114 | Q49-G85 WeakPolarHBondContact CA-O 3.11Å; Q49-Q113 HydrophobicContact CB-CB 4.17Å; Q49-Q113 PolarHBondContact O-N 3.37Å; Q49-G114 CarbonylContact C-O 3.55Å; Q49-G114 PolarHBondContact N-O 2.92Å; Q49-G114 PolarHBondContact O-N 3.37Å |
| 50 | L | 92.6 | Very high | 89.3 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | trans | -98.8 | 164.8 | 172.8 | -58.9 | -174.1 | 0 | 0 | 0 | 111.3 | Y23 F48 D59 I61 G85 F103 F115 | Y23-L50 HydrophobicContact CE1-CD2 3.72Å; Y23-L50 WeakPolarHBondContact OH-CA 3.32Å; F48-L50 HydrophobicContact CE1-CD1 4.18Å; F48-L50 HydrophobicContact CE1-CG 4.11Å; F48-L50 HydrophobicContact CE2-CD1 4.05Å; F48-L50 HydrophobicContact CE2-CG 4.29Å; F48-L50 HydrophobicContact CZ-CD1 3.52Å; F48-L50 HydrophobicContact CZ-CG 3.84Å; L50-D59 HydrophobicContact CB-CB 4.46Å; L50-I61 HydrophobicContact CD1-CG2 4.17Å; L50-G85 PolarHBondContact N-O 3.11Å; L50-G85 WeakPolarHBondContact O-CA 3.26Å; L50-F103 HydrophobicContact CD1-CD2 4.49Å; L50-F103 HydrophobicContact CD1-CE2 4.07Å; L50-F103 HydrophobicContact CD2-CE2 3.61Å; L50-F103 HydrophobicContact CD2-CZ 3.9Å; L50-F103 HydrophobicContact CG-CE2 4.49Å; L50-F115 HydrophobicContact CD2-CD1 4.17Å | ||
| 51 | A | 87.8 | Confident | 89.2 | Confident | 19 Ų | 19 | 47.2 Ų | 47.2 | 16% | 0.157 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -76.7 | 146.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110 | Y23 D59 | Y23-A51 PolarHBondContact OH-N 3.42Å; A51-D59 HydrophobicContact CB-CB 4.48Å; A51-D59 WeakPolarHBondContact CB-OD2 3.23Å; A51-D59 PolarHBondContact O-N 3.37Å; A51-D59 VanDerWaalsContact O-N 3.16Å |
| 52 | G | 84.2 | Confident | 89 | Confident | 33 Ų | 33 | 47.7 Ų | 47.7 | 34% | 0.34 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 106.8 | -179.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G85 | G52-G85 WeakPolarHBondContact O-CA 3.48Å |
| 53 | S | 78.4 | Confident | 88.9 | Confident | 51 Ų | 51 | 44.6 Ų | 44.6 | 36% | 0.357 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 162.6 | 179.3 | 61.8 | 0 | 0 | 0 | 0 | 110.7 | S55 K56 C57 C84 | S53-S55 PolarHBondContact O-N 2.9Å; S53-S55 VanDerWaalsContact O-N 3.11Å; S53-S55 PolarHBondContact OG-OG 3.47Å; S53-K56 PolarHBondContact N-O 3.48Å; S53-K56 CarbonylContact O-C 3.58Å; S53-K56 PolarHBondContact O-N 3.36Å; S53-K56 PolarHBondContact OG-N 2.91Å; S53-C57 PolarHBondContact O-N 2.96Å; S53-C84 PolarHBondContact O-SG 3.26Å |
| 54 | S | 70.3 | Confident | 88.7 | Confident | 102 Ų | 102 | 45.7 Ų | 45.7 | 71% | 0.713 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -27.7 | 174.7 | 53.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 55 | S | 77.4 | Confident | 88.4 | Confident | 100 Ų | 100 | 44 Ų | 44 | 70% | 0.699 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -23.5 | 176.7 | 54 | 0 | 0 | 0 | 0 | 114.3 | S53 | S53-S55 PolarHBondContact O-N 2.9Å; S53-S55 VanDerWaalsContact O-N 3.11Å; S53-S55 PolarHBondContact OG-OG 3.47Å |
| 56 | K | 80 | Confident | 88.1 | Confident | 162 Ų | 162 | 43.9 Ų | 43.9 | 70% | 0.704 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 92.9 | -179.8 | -71.6 | -172.6 | -179.2 | 179.9 | 0 | 108.8 | S53 E58 | S53-K56 PolarHBondContact N-O 3.48Å; S53-K56 CarbonylContact O-C 3.58Å; S53-K56 PolarHBondContact O-N 3.36Å; S53-K56 PolarHBondContact OG-N 2.91Å; K56-E58 PolarHBondContact O-N 2.94Å; K56-E58 VanDerWaalsContact O-N 3.08Å |
| 57 | C | 81.9 | Confident | 87.9 | Confident | 45 Ų | 45 | 38.8 Ų | 38.8 | 30% | 0.304 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 108.7 | 172.8 | -67.7 | 0 | 0 | 0 | 0 | 110 | S53 Y60 C84 | S53-C57 PolarHBondContact O-N 2.96Å; C57-Y60 HydrophobicContact CB-CD1 4.33Å; C57-C84 WeakPolarHBondContact CA-SG 3.3Å; C57-C84 HydrophobicContact CB-CB 3.44Å; C57-C84 VanDerWaalsContact CB-CB 3.44Å; C57-C84 WeakPolarHBondContact CB-SG 3.15Å; C57-C84 WeakPolarHBondContact SG-CB 3.39Å; C57-C84 CovalentContact SG-SG 2.03Å; C57-C84 PolarHBondContact SG-SG 2.79Å |
| 58 | E | 86.3 | Confident | 87.5 | Confident | 78 Ų | 78 | 42.7 Ų | 42.7 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -82.6 | -59.8 | 176.4 | -67.2 | -150.5 | 136.9 | 0 | 0 | 110.3 | K56 R106 | K56-E58 PolarHBondContact O-N 2.94Å; K56-E58 VanDerWaalsContact O-N 3.08Å; E58-R106 VanDerWaalsContact CA-CZ 3.44Å; E58-R106 VanDerWaalsContact O-CD 3.31Å; E58-R106 WeakPolarHBondContact O-CD 3.02Å; E58-R106 WeakPolarHBondContact O-CG 3.2Å; E58-R106 PolarHBondContact O-NE 2.87Å; E58-R106 IonicContact OE1-NH2 3.71Å; E58-R106 PolarHBondContact OE1-NH2 3.48Å; E58-R106 IonicContact OE2-NH2 3.42Å; E58-R106 PolarHBondContact OE2-NH2 3.21Å |
| 59 | D | 92.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -111 | 141.3 | 167.8 | -58.1 | -27.7 | 0 | 0 | 0 | 107.9 | Y23 L50 A51 C84 H104 V105 R106 S109 | Y23-D59 VanDerWaalsContact CE2-OD2 3.31Å; Y23-D59 WeakPolarHBondContact CE2-OD2 3.41Å; Y23-D59 PolarHBondContact OH-OD2 2.98Å; Y23-D59 VanDerWaalsContact OH-OD2 3.08Å; L50-D59 HydrophobicContact CB-CB 4.46Å; A51-D59 HydrophobicContact CB-CB 4.48Å; A51-D59 WeakPolarHBondContact CB-OD2 3.23Å; A51-D59 PolarHBondContact O-N 3.37Å; A51-D59 VanDerWaalsContact O-N 3.16Å; D59-C84 WeakPolarHBondContact O-CB 3.36Å; D59-H104 WeakPolarHBondContact CA-O 3.45Å; D59-V105 WeakPolarHBondContact OD1-CA 3.47Å; D59-R106 PolarHBondContact OD1-N 3.46Å; D59-S109 WeakPolarHBondContact OD1-CB 3.19Å; D59-S109 WeakPolarHBondContact OD2-CB 3.34Å; D59-S109 PolarHBondContact OD2-OG 2.75Å |
| 60 | Y | 92.6 | Very high | 86.6 | Confident | 42 Ų | 42 | 43.3 Ų | 43.3 | 17% | 0.165 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 159.1 | -173.5 | 58.1 | -93.9 | 0 | 0 | 0 | 112.2 | C57 D62 R82 Y83 H104 | C57-Y60 HydrophobicContact CB-CD1 4.33Å; Y60-D62 WeakPolarHBondContact CD2-OD1 3.46Å; Y60-D62 WeakPolarHBondContact CE2-OD2 3.32Å; Y60-R82 HydrophobicContact CD2-CG 3.92Å; Y60-R82 VanDerWaalsContact CD2-NE 3.3Å; Y60-R82 VanDerWaalsContact CE2-CZ 3.43Å; Y60-R82 HydrophobicContact CG-CG 3.95Å; Y60-Y83 CarbonylContact C-O 3.39Å; Y60-Y83 WeakPolarHBondContact CA-O 3.28Å; Y60-Y83 WeakPolarHBondContact CB-O 3.46Å; Y60-H104 HydrophobicContact CD2-CB 4.3Å; Y60-H104 HydrophobicContact CE1-CB 4.31Å; Y60-H104 AromaticContact CE1-CD2 3.77Å; Y60-H104 HydrophobicContact CE2-CB 3.83Å; Y60-H104 AromaticContact CZ-CD2 3.77Å; Y60-H104 AromaticContact CZ-CG 3.97Å; Y60-H104 PolarHBondContact N-O 2.96Å; Y60-H104 VanDerWaalsContact N-O 3.08Å; Y60-H104 PolarHBondContact O-N 3.04Å |
| 61 | I | 93.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 135 | 161.8 | 61.6 | 166.2 | 0 | 0 | 0 | 109.6 | F45 F48 L50 I63 R82 Y83 P89 I101 V102 F103 F115 | F45-I61 HydrophobicContact CE1-CD1 3.74Å; F45-I61 HydrophobicContact CZ-CD1 3.63Å; F48-I61 HydrophobicContact CE2-CD1 3.56Å; F48-I61 HydrophobicContact CE2-CG1 3.81Å; F48-I61 HydrophobicContact CZ-CD1 4.21Å; F48-I61 HydrophobicContact CZ-CG1 3.99Å; L50-I61 HydrophobicContact CD1-CG2 4.17Å; I61-I63 HydrophobicContact CD1-CD1 3.85Å; I61-I63 HydrophobicContact CD1-CG1 4.02Å; I61-I63 HydrophobicContact CG1-CG1 4.43Å; I61-R82 WeakPolarHBondContact O-CA 3.25Å; I61-Y83 HydrophobicContact CG1-CD2 4.34Å; I61-Y83 PolarHBondContact N-O 3.27Å; I61-Y83 PolarHBondContact O-N 2.92Å; I61-P89 HydrophobicContact CD1-CG 3.85Å; I61-I101 HydrophobicContact CB-CG2 3.78Å; I61-I101 HydrophobicContact CD1-CG2 4.12Å; I61-I101 HydrophobicContact CG2-CG2 3.95Å; I61-V102 CarbonylContact C-O 3.56Å; I61-V102 WeakPolarHBondContact CA-O 3.15Å; I61-F103 HydrophobicContact CG2-CB 3.95Å; I61-F103 HydrophobicContact CG2-CD2 3.66Å; I61-F103 HydrophobicContact CG2-CG 4.12Å; I61-F115 HydrophobicContact CG2-CD1 4.09Å; I61-F115 HydrophobicContact CG2-CE1 3.6Å; I61-F115 HydrophobicContact CG2-CZ 4.15Å |
| 62 | D | 92.6 | Very high | 85.9 | Confident | 11 Ų | 11 | 51.7 Ų | 51.7 | 6% | 0.059 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 127 | 165.1 | -75.5 | -16.6 | 0 | 0 | 0 | 108.2 | Y60 Y64 L79 R82 I101 V102 | Y60-D62 WeakPolarHBondContact CD2-OD1 3.46Å; Y60-D62 WeakPolarHBondContact CE2-OD2 3.32Å; D62-Y64 HydrophobicContact CB-CE2 3.85Å; D62-L79 HydrophobicContact CB-CD1 3.53Å; D62-R82 WeakPolarHBondContact OD1-CB 3.24Å; D62-R82 WeakPolarHBondContact OD1-CG 3.37Å; D62-R82 IonicContact OD1-CZ 2.79Å; D62-R82 IonicContact OD1-NE 3.96Å; D62-R82 PolarHBondContact OD1-NE 3.4Å; D62-R82 IonicContact OD1-NH2 3.81Å; D62-R82 PolarHBondContact OD1-NH2 3.37Å; D62-R82 IonicContact OD2-CZ 3.76Å; D62-R82 IonicContact OD2-NE 2.73Å; D62-R82 IonicContact OD2-NH2 2.71Å; D62-R82 PolarHBondContact OD2-NH2 2.77Å; D62-I101 CarbonylContact O-C 3.44Å; D62-I101 WeakPolarHBondContact O-CA 3.42Å; D62-V102 HydrophobicContact CB-CB 4.3Å; D62-V102 PolarHBondContact N-O 2.82Å; D62-V102 PolarHBondContact O-N 2.77Å |
| 63 | I | 93 | Very high | 86 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 130.7 | 178.5 | -56.8 | -176.6 | 0 | 0 | 0 | 108.9 | F45 I61 T80 G81 Y83 P89 I92 V100 I101 | F45-I63 HydrophobicContact CE2-CD1 4.07Å; F45-I63 HydrophobicContact CZ-CD1 4.08Å; I61-I63 HydrophobicContact CD1-CD1 3.85Å; I61-I63 HydrophobicContact CD1-CG1 4.02Å; I61-I63 HydrophobicContact CG1-CG1 4.43Å; I63-T80 WeakPolarHBondContact O-CA 3.22Å; I63-T80 WeakPolarHBondContact O-CB 3.32Å; I63-T80 PolarHBondContact O-N 3.04Å; I63-T80 PolarHBondContact O-OG1 2.81Å; I63-G81 PolarHBondContact N-O 2.8Å; I63-Y83 HydrophobicContact CB-CE2 4.49Å; I63-Y83 HydrophobicContact CD1-CD2 3.91Å; I63-Y83 HydrophobicContact CD1-CE2 3.77Å; I63-Y83 HydrophobicContact CG1-CD2 4.17Å; I63-Y83 HydrophobicContact CG1-CE2 4.16Å; I63-P89 HydrophobicContact CD1-CB 3.93Å; I63-P89 HydrophobicContact CD1-CG 3.68Å; I63-I92 HydrophobicContact CD1-CD1 4.27Å; I63-I92 HydrophobicContact CD1-CG1 3.99Å; I63-I92 HydrophobicContact CG2-CG1 4.36Å; I63-I92 HydrophobicContact CG2-CG2 4.07Å; I63-V100 WeakPolarHBondContact CA-O 3.02Å; I63-I101 HydrophobicContact CG1-CG1 4.47Å |
| 64 | Y | 92.5 | Very high | 86.2 | Confident | 22 Ų | 22 | 54 Ų | 54 | 9% | 0.086 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 111.5 | 172.9 | -58.8 | -93.3 | 0 | 0 | 0 | 108.2 | D62 L74 Q77 L79 A99 V100 V102 | D62-Y64 HydrophobicContact CB-CE2 3.85Å; Y64-L74 HydrophobicContact CD1-CD2 4.41Å; Y64-L74 HydrophobicContact CD2-CD2 4.14Å; Y64-L74 HydrophobicContact CE1-CB 4.31Å; Y64-L74 VanDerWaalsContact CE1-O 3.22Å; Y64-L74 WeakPolarHBondContact CE1-O 3.4Å; Y64-L74 HydrophobicContact CE2-CB 4.23Å; Y64-L74 HydrophobicContact CE2-CD1 4.46Å; Y64-L74 HydrophobicContact CG-CD2 4.08Å; Y64-Q77 HydrophobicContact CD1-CB 3.98Å; Y64-Q77 HydrophobicContact CE1-CB 4.21Å; Y64-L79 HydrophobicContact CE1-CB 4.46Å; Y64-L79 HydrophobicContact CE1-CD1 4.2Å; Y64-L79 HydrophobicContact CE2-CD1 4.3Å; Y64-A99 CarbonylContact O-C 3.6Å; Y64-A99 WeakPolarHBondContact O-CA 3.26Å; Y64-V100 PolarHBondContact N-O 3.12Å; Y64-V100 PolarHBondContact O-N 3.34Å; Y64-V102 HydrophobicContact CD2-CG2 4.31Å; Y64-V102 HydrophobicContact CE2-CG2 3.89Å |
| 65 | S | 91.3 | Very high | 86.7 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.014 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 3.5 | -175.9 | 70.1 | 0 | 0 | 0 | 0 | 113.6 | T80 S94 L95 | S65-T80 WeakPolarHBondContact CB-OG1 3.43Å; S65-T80 PolarHBondContact N-OG1 2.81Å; S65-T80 WeakPolarHBondContact OG-CG2 3.29Å; S65-T80 PolarHBondContact OG-OG1 2.77Å; S65-S94 CarbonylContact O-C 3.57Å; S65-S94 WeakPolarHBondContact O-CA 3.48Å; S65-L95 PolarHBondContact O-N 2.85Å |
| 66 | V | 88.4 | Confident | 86.9 | Confident | 22 Ų | 22 | 55.6 Ų | 55.6 | 13% | 0.133 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 21.4 | 179.8 | -72.8 | 0 | 0 | 0 | 0 | 112.9 | L95 P162 | V66-L95 HydrophobicContact CB-CD2 4.38Å; V66-L95 HydrophobicContact CG1-CB 4Å; V66-L95 HydrophobicContact CG1-CD2 3.96Å; V66-P162 HydrophobicContact CG1-CB 3.76Å; V66-P162 HydrophobicContact CG1-CG 3.46Å; V66-P162 VanDerWaalsContact CG1-CG 3.46Å |
| 67 | L | 90.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 126.1 | -176 | -58 | 174.8 | 0 | 0 | 0 | 110.8 | V72 L74 Q77 H96 F98 V100 | L67-V72 HydrophobicContact CD2-CG2 3.7Å; L67-L74 HydrophobicContact CD1-CD2 4.01Å; L67-L74 HydrophobicContact CD2-CD2 4.06Å; L67-Q77 HydrophobicContact CD2-CB 4Å; L67-Q77 HydrophobicContact CD2-CG 3.75Å; L67-H96 WeakPolarHBondContact O-CB 3.08Å; L67-F98 HydrophobicContact CB-CB 4.03Å; L67-V100 HydrophobicContact CD1-CB 3.85Å; L67-V100 HydrophobicContact CD1-CG2 3.43Å; L67-V100 VanDerWaalsContact CD1-CG2 3.43Å |
| 68 | E | 86.4 | Confident | 87.2 | Confident | 110 Ų | 110 | 52.6 Ų | 52.6 | 51% | 0.514 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -79.8 | -30.1 | 174.3 | -71 | -176.3 | -177.1 | 0 | 0 | 112.7 | F98 | E68-F98 WeakPolarHBondContact O-CD2 3.23Å; E68-F98 WeakPolarHBondContact O-CE2 3.37Å |
| 69 | T | 86.1 | Confident | 87.2 | Confident | 69 Ų | 69 | 52 Ų | 52 | 42% | 0.423 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -137.9 | 156 | 178.9 | 64 | 0 | 0 | 0 | 0 | 110.2 | V72 | T69-V72 WeakPolarHBondContact OG1-CG1 3.45Š|
| 70 | P | 81.1 | Confident | 86.9 | Confident | 40 Ų | 40 | 52.7 Ų | 52.7 | 26% | 0.26 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -24 | -175 | 30.1 | -30 | 0 | 0 | 0 | 112.7 | I34 V72 F98 | I34-P70 HydrophobicContact CD1-CB 4.34Å; P70-V72 PolarHBondContact O-N 3.33Å; P70-F98 HydrophobicContact CB-CD1 3.82Å; P70-F98 HydrophobicContact CB-CE1 3.76Å; P70-F98 HydrophobicContact CB-CG 4.49Å; P70-F98 HydrophobicContact CB-CZ 4.42Å; P70-F98 VanDerWaalsContact CD-CZ 3.48Å; P70-F98 HydrophobicContact CG-CD1 4.28Å; P70-F98 HydrophobicContact CG-CE1 3.7Å; P70-F98 HydrophobicContact CG-CZ 3.99Å |
| 71 | D | 82.7 | Confident | 86.7 | Confident | 157 Ų | 157 | 51.2 Ų | 51.2 | 84% | 0.84 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 37.7 | -170.7 | -58.9 | -44.3 | 0 | 0 | 0 | 112.8 | ||
| 72 | V | 83.1 | Confident | 86.5 | Confident | 40 Ų | 40 | 56.9 Ų | 56.9 | 24% | 0.242 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -93.7 | 151.6 | 176.5 | -65 | 0 | 0 | 0 | 0 | 112.4 | L67 T69 P70 L74 Q77 | L67-V72 HydrophobicContact CD2-CG2 3.7Å; T69-V72 WeakPolarHBondContact OG1-CG1 3.45Å; P70-V72 PolarHBondContact O-N 3.33Å; V72-L74 HydrophobicContact CG2-CD2 4.45Å; V72-L74 PolarHBondContact O-N 2.76Å; V72-Q77 HydrophobicContact CB-CG 4.29Å; V72-Q77 HydrophobicContact CG2-CG 3.74Å |
| 73 | D | 85.7 | Confident | 86.4 | Confident | 100 Ų | 100 | 56.7 Ų | 56.7 | 54% | 0.535 | 30% | 0.304 | S | S | . | . | trans | -68.8 | 102.7 | 167.8 | 178.6 | 13.3 | 0 | 0 | 0 | 110 | I75 S76 Q77 | D73-I75 PolarHBondContact O-N 2.78Å; D73-I75 VanDerWaalsContact O-N 3.08Å; D73-I75 WeakPolarHBondContact OD1-CB 3.22Å; D73-I75 WeakPolarHBondContact OD1-CG1 3.25Å; D73-I75 PolarHBondContact OD1-N 3.3Å; D73-I75 VanDerWaalsContact OD1-N 3.1Å; D73-S76 PolarHBondContact O-N 2.79Å; D73-S76 PolarHBondContact O-OG 2.84Å; D73-Q77 WeakPolarHBondContact O-CG 3.23Å | ||
| 74 | L | 83.1 | Confident | 86.3 | Confident | 32 Ų | 32 | 56.9 Ų | 56.9 | 17% | 0.168 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -56.5 | -24.7 | -178.6 | -61.8 | 174.7 | 0 | 0 | 0 | 113.3 | Y64 L67 V72 S76 Q77 V100 V102 | Y64-L74 HydrophobicContact CD1-CD2 4.41Å; Y64-L74 HydrophobicContact CD2-CD2 4.14Å; Y64-L74 HydrophobicContact CE1-CB 4.31Å; Y64-L74 VanDerWaalsContact CE1-O 3.22Å; Y64-L74 WeakPolarHBondContact CE1-O 3.4Å; Y64-L74 HydrophobicContact CE2-CB 4.23Å; Y64-L74 HydrophobicContact CE2-CD1 4.46Å; Y64-L74 HydrophobicContact CG-CD2 4.08Å; L67-L74 HydrophobicContact CD1-CD2 4.01Å; L67-L74 HydrophobicContact CD2-CD2 4.06Å; V72-L74 HydrophobicContact CG2-CD2 4.45Å; V72-L74 PolarHBondContact O-N 2.76Å; L74-S76 PolarHBondContact O-N 3.43Å; L74-Q77 PolarHBondContact O-N 2.76Å; L74-V100 HydrophobicContact CD1-CG1 3.89Å; L74-V100 HydrophobicContact CD2-CB 4.43Å; L74-V100 HydrophobicContact CD2-CG1 4.44Å; L74-V102 HydrophobicContact CD1-CG2 3.69Å |
| 75 | I | 80.1 | Confident | 86.1 | Confident | 151 Ų | 151 | 56 Ų | 56 | 77% | 0.774 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -65.9 | -32.7 | 179.2 | -57.5 | 171.4 | 0 | 0 | 0 | 111.1 | D73 Q77 | D73-I75 PolarHBondContact O-N 2.78Å; D73-I75 VanDerWaalsContact O-N 3.08Å; D73-I75 WeakPolarHBondContact OD1-CB 3.22Å; D73-I75 WeakPolarHBondContact OD1-CG1 3.25Å; D73-I75 PolarHBondContact OD1-N 3.3Å; D73-I75 VanDerWaalsContact OD1-N 3.1Å; I75-Q77 VanDerWaalsContact C-N 3.33Å |
| 76 | S | 82.7 | Confident | 86 | Confident | 84 Ų | 84 | 60 Ų | 60 | 59% | 0.587 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -84.4 | -6.8 | 179.1 | 70.3 | 0 | 0 | 0 | 0 | 113.9 | D73 L74 | D73-S76 PolarHBondContact O-N 2.79Å; D73-S76 PolarHBondContact O-OG 2.84Å; L74-S76 PolarHBondContact O-N 3.43Å |
| 77 | Q | 84.9 | Confident | 86 | Confident | 61 Ų | 61 | 62.1 Ų | 62.1 | 29% | 0.285 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -94.2 | 152.2 | -172 | -62.3 | -59.7 | -58.4 | 0 | 0 | 112.1 | Y64 L67 V72 D73 L74 I75 L79 | Y64-Q77 HydrophobicContact CD1-CB 3.98Å; Y64-Q77 HydrophobicContact CE1-CB 4.21Å; L67-Q77 HydrophobicContact CD2-CB 4Å; L67-Q77 HydrophobicContact CD2-CG 3.75Å; V72-Q77 HydrophobicContact CB-CG 4.29Å; V72-Q77 HydrophobicContact CG2-CG 3.74Å; D73-Q77 WeakPolarHBondContact O-CG 3.23Å; L74-Q77 PolarHBondContact O-N 2.76Å; I75-Q77 VanDerWaalsContact C-N 3.33Å; Q77-L79 PolarHBondContact O-N 3.43Å |
| 78 | T | 83 | Confident | 86 | Confident | 83 Ų | 83 | 64.9 Ų | 64.9 | 51% | 0.509 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 118.3 | 175 | -55.7 | 0 | 0 | 0 | 0 | 110.3 | T80 | T78-T80 PolarHBondContact O-N 3.38Š|
| 79 | L | 85.7 | Confident | 86.1 | Confident | 67 Ų | 67 | 59.9 Ų | 59.9 | 35% | 0.351 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 120 | 174.5 | 179.5 | 66 | 0 | 0 | 0 | 110 | D62 Y64 Q77 G81 R82 | D62-L79 HydrophobicContact CB-CD1 3.53Å; Y64-L79 HydrophobicContact CE1-CB 4.46Å; Y64-L79 HydrophobicContact CE1-CD1 4.2Å; Y64-L79 HydrophobicContact CE2-CD1 4.3Å; Q77-L79 PolarHBondContact O-N 3.43Å; L79-G81 VanDerWaalsContact C-N 3.33Å; L79-R82 HydrophobicContact CD2-CB 4.2Å |
| 80 | T | 86.2 | Confident | 86.2 | Confident | 14 Ų | 14 | 60.9 Ų | 60.9 | 9% | 0.086 | 34% | 0.339 | C | S | . | . | trans | -63.9 | -42.9 | 174.6 | -55.3 | 0 | 0 | 0 | 0 | 110.6 | I63 S65 T78 K160 | I63-T80 WeakPolarHBondContact O-CA 3.22Å; I63-T80 WeakPolarHBondContact O-CB 3.32Å; I63-T80 PolarHBondContact O-N 3.04Å; I63-T80 PolarHBondContact O-OG1 2.81Å; S65-T80 WeakPolarHBondContact CB-OG1 3.43Å; S65-T80 PolarHBondContact N-OG1 2.81Å; S65-T80 WeakPolarHBondContact OG-CG2 3.29Å; S65-T80 PolarHBondContact OG-OG1 2.77Å; T78-T80 PolarHBondContact O-N 3.38Å; T80-K160 PolarHBondContact O-NZ 2.81Å | ||
| 81 | G | 87.6 | Confident | 86.8 | Confident | 10 Ų | 10 | 61.7 Ų | 61.7 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.9 | 156.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I63 L79 | I63-G81 PolarHBondContact N-O 2.8Å; L79-G81 VanDerWaalsContact C-N 3.33Å |
| 82 | R | 89.8 | Confident | 87.3 | Confident | 119 Ų | 119 | 54.3 Ų | 54.3 | 45% | 0.449 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126.1 | 170.4 | 177.1 | 166.1 | -70 | 172.2 | -0.6 | 109.5 | Y60 I61 D62 L79 | Y60-R82 HydrophobicContact CD2-CG 3.92Å; Y60-R82 VanDerWaalsContact CD2-NE 3.3Å; Y60-R82 VanDerWaalsContact CE2-CZ 3.43Å; Y60-R82 HydrophobicContact CG-CG 3.95Å; I61-R82 WeakPolarHBondContact O-CA 3.25Å; D62-R82 WeakPolarHBondContact OD1-CB 3.24Å; D62-R82 WeakPolarHBondContact OD1-CG 3.37Å; D62-R82 IonicContact OD1-CZ 2.79Å; D62-R82 IonicContact OD1-NE 3.96Å; D62-R82 PolarHBondContact OD1-NE 3.4Å; D62-R82 IonicContact OD1-NH2 3.81Å; D62-R82 PolarHBondContact OD1-NH2 3.37Å; D62-R82 IonicContact OD2-CZ 3.76Å; D62-R82 IonicContact OD2-NE 2.73Å; D62-R82 IonicContact OD2-NH2 2.71Å; D62-R82 PolarHBondContact OD2-NH2 2.77Å; L79-R82 HydrophobicContact CD2-CB 4.2Å |
| 83 | Y | 90.3 | Very high | 87.9 | Confident | 8 Ų | 8 | 52.6 Ų | 52.6 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 137.1 | -174.5 | -57 | -94 | 0 | 0 | 0 | 111.1 | Y60 I61 I63 P89 E245 | Y60-Y83 CarbonylContact C-O 3.39Å; Y60-Y83 WeakPolarHBondContact CA-O 3.28Å; Y60-Y83 WeakPolarHBondContact CB-O 3.46Å; I61-Y83 HydrophobicContact CG1-CD2 4.34Å; I61-Y83 PolarHBondContact N-O 3.27Å; I61-Y83 PolarHBondContact O-N 2.92Å; I63-Y83 HydrophobicContact CB-CE2 4.49Å; I63-Y83 HydrophobicContact CD1-CD2 3.91Å; I63-Y83 HydrophobicContact CD1-CE2 3.77Å; I63-Y83 HydrophobicContact CG1-CD2 4.17Å; I63-Y83 HydrophobicContact CG1-CE2 4.16Å; Y83-P89 HydrophobicContact CD1-CB 3.89Å; Y83-P89 HydrophobicContact CD1-CG 3.71Å; Y83-P89 HydrophobicContact CD2-CB 4.16Å; Y83-P89 HydrophobicContact CD2-CG 3.7Å; Y83-P89 HydrophobicContact CE1-CB 3.68Å; Y83-P89 HydrophobicContact CE1-CG 4.03Å; Y83-P89 HydrophobicContact CE2-CB 3.98Å; Y83-P89 HydrophobicContact CE2-CG 4.04Å; Y83-P89 HydrophobicContact CG-CB 4.12Å; Y83-P89 HydrophobicContact CG-CG 3.53Å; Y83-E245 WeakPolarHBondContact CE1-OE1 3.35Å |
| 84 | C | 90.9 | Very high | 88.3 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 3% | 0.027 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 172.3 | -175.9 | 67.8 | 0 | 0 | 0 | 0 | 112 | S53 C57 D59 S86 V87 | S53-C84 PolarHBondContact O-SG 3.26Å; C57-C84 WeakPolarHBondContact CA-SG 3.3Å; C57-C84 HydrophobicContact CB-CB 3.44Å; C57-C84 VanDerWaalsContact CB-CB 3.44Å; C57-C84 WeakPolarHBondContact CB-SG 3.15Å; C57-C84 WeakPolarHBondContact SG-CB 3.39Å; C57-C84 CovalentContact SG-SG 2.03Å; C57-C84 PolarHBondContact SG-SG 2.79Å; D59-C84 WeakPolarHBondContact O-CB 3.36Å; C84-S86 PolarHBondContact O-N 2.84Å; C84-V87 PolarHBondContact O-N 3.35Å |
| 85 | G | 89.4 | Confident | 88.6 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | -133.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q49 L50 G52 | Q49-G85 WeakPolarHBondContact CA-O 3.11Å; L50-G85 PolarHBondContact N-O 3.11Å; L50-G85 WeakPolarHBondContact O-CA 3.26Å; G52-G85 WeakPolarHBondContact O-CA 3.48Å |
| 86 | S | 88 | Confident | 89.2 | Confident | 86 Ų | 86 | 42.7 Ų | 42.7 | 60% | 0.601 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 4.5 | 175.4 | 62.4 | 0 | 0 | 0 | 0 | 113.9 | C84 S88 | C84-S86 PolarHBondContact O-N 2.84Å; S86-S88 PolarHBondContact O-N 3.4Å |
| 87 | V | 88.7 | Confident | 89.6 | Confident | 66 Ų | 66 | 40.5 Ų | 40.5 | 40% | 0.4 | 22% | 0.219 | S | C | . | . | trans | -84.3 | 92.8 | -179.9 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | F48 C84 | F48-V87 WeakPolarHBondContact CD1-O 3.33Å; F48-V87 WeakPolarHBondContact CE1-O 3.42Å; C84-V87 PolarHBondContact O-N 3.35Å | ||
| 88 | S | 89.5 | Confident | 90.1 | Very high | 58 Ų | 58 | 38.5 Ų | 38.5 | 41% | 0.406 | 21% | 0.209 | S | C | . | . | P | Polyproline II helix | trans | -70.1 | 141.4 | 175.9 | 61 | 0 | 0 | 0 | 0 | 111.1 | S86 K90 | S86-S88 PolarHBondContact O-N 3.4Å; S88-K90 PolarHBondContact O-N 3.28Å |
| 89 | P | 89.4 | Confident | 90.6 | Very high | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.032 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -54.9 | 137.6 | 164.3 | -13.3 | 22.5 | 0 | 0 | 0 | 111.1 | F45 F48 I61 I63 Y83 I92 | F45-P89 HydrophobicContact CD2-CB 3.92Å; F45-P89 HydrophobicContact CD2-CG 3.8Å; F45-P89 HydrophobicContact CE1-CG 4.37Å; F45-P89 HydrophobicContact CE2-CB 3.88Å; F45-P89 HydrophobicContact CE2-CG 3.61Å; F45-P89 HydrophobicContact CG-CG 4.29Å; F45-P89 HydrophobicContact CZ-CG 3.91Å; F48-P89 HydrophobicContact CE2-CG 4.5Å; I61-P89 HydrophobicContact CD1-CG 3.85Å; I63-P89 HydrophobicContact CD1-CB 3.93Å; I63-P89 HydrophobicContact CD1-CG 3.68Å; Y83-P89 HydrophobicContact CD1-CB 3.89Å; Y83-P89 HydrophobicContact CD1-CG 3.71Å; Y83-P89 HydrophobicContact CD2-CB 4.16Å; Y83-P89 HydrophobicContact CD2-CG 3.7Å; Y83-P89 HydrophobicContact CE1-CB 3.68Å; Y83-P89 HydrophobicContact CE1-CG 4.03Å; Y83-P89 HydrophobicContact CE2-CB 3.98Å; Y83-P89 HydrophobicContact CE2-CG 4.04Å; Y83-P89 HydrophobicContact CG-CB 4.12Å; Y83-P89 HydrophobicContact CG-CG 3.53Å; P89-I92 HydrophobicContact CB-CD1 4.28Å; P89-I92 HydrophobicContact CB-CG1 4.38Å |
| 90 | K | 88.6 | Confident | 91.1 | Very high | 91 Ų | 91 | 31.5 Ų | 31.5 | 40% | 0.396 | 17% | 0.169 | S | C | . | . | P | Polyproline II helix | trans | -59.7 | 173.2 | 158.8 | -73.6 | -179.9 | -168.6 | -180 | 0 | 110.6 | S88 I92 E245 | S88-K90 PolarHBondContact O-N 3.28Å; K90-I92 PolarHBondContact O-N 2.82Å; K90-E245 HydrophobicContact CD-CB 4.01Å; K90-E245 VanDerWaalsContact CG-OE2 3.32Å; K90-E245 WeakPolarHBondContact CG-OE2 3.47Å; K90-E245 PolarHBondContact NZ-O 3.21Å |
| 91 | I | 93.6 | Very high | 91.5 | Very high | 57 Ų | 57 | 30.8 Ų | 30.8 | 29% | 0.292 | 17% | 0.165 | S | C | . | . | P | Polyproline II helix | trans | -46.9 | 129 | 174.7 | -59.7 | 173.5 | 0 | 0 | 0 | 109.1 | K42 V44 I93 P158 G159 | K42-I91 HydrophobicContact CG-CG2 4.3Å; V44-I91 HydrophobicContact CG2-CG1 4.41Å; V44-I91 HydrophobicContact CG2-CG2 4.48Å; I91-I93 HydrophobicContact CG2-CD1 3.98Å; I91-I93 HydrophobicContact CG2-CG1 4.35Å; I91-P158 HydrophobicContact CD1-CG 4.09Å; I91-P158 HydrophobicContact CG2-CG 4.43Å; I91-G159 WeakPolarHBondContact O-CA 3.46Å |
| 92 | I | 93.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 128.5 | 175.3 | -55.8 | -61.2 | 0 | 0 | 0 | 107.9 | K42 L43 I63 P89 K90 | K42-I92 CarbonylContact C-O 3.57Å; K42-I92 VanDerWaalsContact CA-O 3.29Å; K42-I92 WeakPolarHBondContact CA-O 3.49Å; L43-I92 HydrophobicContact CB-CB 4.15Å; L43-I92 HydrophobicContact CD1-CB 4.4Å; L43-I92 HydrophobicContact CD1-CG2 4.41Å; L43-I92 PolarHBondContact N-O 3.35Å; L43-I92 PolarHBondContact O-N 2.85Å; I63-I92 HydrophobicContact CD1-CD1 4.27Å; I63-I92 HydrophobicContact CD1-CG1 3.99Å; I63-I92 HydrophobicContact CG2-CG1 4.36Å; I63-I92 HydrophobicContact CG2-CG2 4.07Å; P89-I92 HydrophobicContact CB-CD1 4.28Å; P89-I92 HydrophobicContact CB-CG1 4.38Å; K90-I92 PolarHBondContact O-N 2.82Å |
| 93 | I | 94.8 | Very high | 92.1 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.015 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129.9 | 168.3 | -52.8 | -62.2 | 0 | 0 | 0 | 106.9 | V41 K42 I91 I122 Y127 T156 | V41-I93 CarbonylContact O-C 3.55Å; V41-I93 WeakPolarHBondContact O-CA 3.19Å; K42-I93 HydrophobicContact CB-CD1 3.6Å; K42-I93 HydrophobicContact CD-CD1 3.91Å; K42-I93 HydrophobicContact CG-CD1 3.56Å; I91-I93 HydrophobicContact CG2-CD1 3.98Å; I91-I93 HydrophobicContact CG2-CG1 4.35Å; I93-I122 HydrophobicContact CD1-CD1 3.94Å; I93-I122 HydrophobicContact CG2-CD1 4.16Å; I93-Y127 HydrophobicContact CG2-CE1 4.44Å; I93-Y127 HydrophobicContact CG2-CE2 4.4Å; I93-T156 WeakPolarHBondContact CB-O 3.47Å; I93-T156 VanDerWaalsContact CG1-O 3.29Å; I93-T156 WeakPolarHBondContact CG1-O 3.23Å; I93-T156 WeakPolarHBondContact O-CB 3.36Å; I93-T156 VanDerWaalsContact O-CG2 3.24Å; I93-T156 WeakPolarHBondContact O-CG2 3.37Å |
| 94 | S | 94.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -72 | 144.3 | 173 | 61.6 | 0 | 0 | 0 | 0 | 111.5 | R40 V41 S65 H96 F98 | R40-S94 WeakPolarHBondContact CD-O 3.39Å; V41-S94 PolarHBondContact N-OG 2.76Å; V41-S94 PolarHBondContact O-N 3.48Å; S65-S94 CarbonylContact O-C 3.57Å; S65-S94 WeakPolarHBondContact O-CA 3.48Å; S94-H96 VanDerWaalsContact C-N 3.35Å; S94-H96 WeakPolarHBondContact CB-O 3.16Å; S94-H96 PolarHBondContact OG-O 3.37Å; S94-F98 VanDerWaalsContact CB-O 3.23Å; S94-F98 WeakPolarHBondContact CB-O 2.96Å | ||
| 95 | L | 90.9 | Very high | 92.3 | Very high | 27 Ų | 27 | 27.6 Ų | 27.6 | 14% | 0.141 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -68.7 | -38.1 | 174.1 | -178.8 | 62.8 | 0 | 0 | 0 | 111.2 | R40 S65 V66 P155 T156 M165 | R40-L95 PolarHBondContact NE-O 2.89Å; R40-L95 PolarHBondContact NH2-O 3.27Å; S65-L95 PolarHBondContact O-N 2.85Å; V66-L95 HydrophobicContact CB-CD2 4.38Å; V66-L95 HydrophobicContact CG1-CB 4Å; V66-L95 HydrophobicContact CG1-CD2 3.96Å; L95-P155 HydrophobicContact CD1-CB 3.52Å; L95-T156 HydrophobicContact CB-CG2 4.32Å; L95-M165 HydrophobicContact CD1-CE 4.16Å; L95-M165 HydrophobicContact CD2-CE 4.33Å |
| 96 | H | 91.3 | Very high | 92.3 | Very high | 48 Ų | 48 | 31.5 Ų | 31.5 | 22% | 0.222 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -116.4 | -152.3 | 176.7 | -53.1 | -59.9 | 0 | 0 | 0 | 109.8 | L67 S94 | L67-H96 WeakPolarHBondContact O-CB 3.08Å; S94-H96 VanDerWaalsContact C-N 3.35Å; S94-H96 WeakPolarHBondContact CB-O 3.16Å; S94-H96 PolarHBondContact OG-O 3.37Å |
| 97 | N | 92.6 | Very high | 92.3 | Very high | 38 Ų | 38 | 31.5 Ų | 31.5 | 20% | 0.203 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -87.4 | 3.7 | -177.9 | 55.5 | -31.2 | 0 | 0 | 0 | 114.7 | A35 F39 | A35-N97 HydrophobicContact CB-CB 4.07Å; A35-N97 WeakPolarHBondContact CB-O 2.89Å; A35-N97 PolarHBondContact N-O 2.87Å; F39-N97 WeakPolarHBondContact O-CA 3.42Å; F39-N97 WeakPolarHBondContact O-CB 3.41Å |
| 98 | F | 94 | Very high | 92.1 | Very high | 19 Ų | 19 | 34.2 Ų | 34.2 | 8% | 0.083 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 141.5 | -176.5 | -55.2 | -73.4 | 0 | 0 | 0 | 113.1 | F33 I34 L67 E68 P70 S94 | F33-F98 WeakPolarHBondContact O-CA 3.22Å; I34-F98 HydrophobicContact CB-CD1 4.25Å; I34-F98 HydrophobicContact CB-CE1 4.2Å; I34-F98 HydrophobicContact CG1-CD1 3.97Å; I34-F98 HydrophobicContact CG1-CE1 4.07Å; I34-F98 HydrophobicContact CG2-CD1 4.12Å; I34-F98 HydrophobicContact CG2-CE1 3.59Å; L67-F98 HydrophobicContact CB-CB 4.03Å; E68-F98 WeakPolarHBondContact O-CD2 3.23Å; E68-F98 WeakPolarHBondContact O-CE2 3.37Å; P70-F98 HydrophobicContact CB-CD1 3.82Å; P70-F98 HydrophobicContact CB-CE1 3.76Å; P70-F98 HydrophobicContact CB-CG 4.49Å; P70-F98 HydrophobicContact CB-CZ 4.42Å; P70-F98 VanDerWaalsContact CD-CZ 3.48Å; P70-F98 HydrophobicContact CG-CD1 4.28Å; P70-F98 HydrophobicContact CG-CE1 3.7Å; P70-F98 HydrophobicContact CG-CZ 3.99Å; S94-F98 VanDerWaalsContact CB-O 3.23Å; S94-F98 WeakPolarHBondContact CB-O 2.96Å |
| 99 | A | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 142.1 | 165 | 0 | 0 | 0 | 0 | 0 | 110.2 | F33 V41 L43 Y64 | F33-A99 HydrophobicContact CB-CB 4.4Å; F33-A99 HydrophobicContact CD2-CB 4.49Å; F33-A99 WeakPolarHBondContact CD2-O 3.41Å; F33-A99 PolarHBondContact N-O 2.86Å; F33-A99 PolarHBondContact O-N 3.34Å; F33-A99 VanDerWaalsContact O-N 3.13Å; V41-A99 HydrophobicContact CB-CB 3.93Å; V41-A99 HydrophobicContact CG1-CB 3.97Å; V41-A99 HydrophobicContact CG2-CB 4.27Å; L43-A99 HydrophobicContact CD1-CB 4.23Å; Y64-A99 CarbonylContact O-C 3.6Å; Y64-A99 WeakPolarHBondContact O-CA 3.26Å |
| 100 | V | 95 | Very high | 91.4 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 131.4 | 177.7 | 177.7 | 0 | 0 | 0 | 0 | 110 | I30 Y31 T32 I63 Y64 L67 L74 V102 | I30-V100 HydrophobicContact CG2-CG1 3.76Å; Y31-V100 WeakPolarHBondContact O-CA 2.98Å; T32-V100 HydrophobicContact CG2-CG2 4.01Å; I63-V100 WeakPolarHBondContact CA-O 3.02Å; Y64-V100 PolarHBondContact N-O 3.12Å; Y64-V100 PolarHBondContact O-N 3.34Å; L67-V100 HydrophobicContact CD1-CB 3.85Å; L67-V100 HydrophobicContact CD1-CG2 3.43Å; L67-V100 VanDerWaalsContact CD1-CG2 3.43Å; L74-V100 HydrophobicContact CD1-CG1 3.89Å; L74-V100 HydrophobicContact CD2-CB 4.43Å; L74-V100 HydrophobicContact CD2-CG1 4.44Å; V100-V102 HydrophobicContact CG1-CG2 4.04Å |
| 101 | I | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.9 | 167.5 | -50.9 | 170 | 0 | 0 | 0 | 108.1 | F14 I30 Y31 F33 L43 F45 I61 D62 I63 | F14-I101 HydrophobicContact CD2-CD1 4.3Å; F14-I101 HydrophobicContact CE2-CD1 3.75Å; F14-I101 HydrophobicContact CZ-CD1 4.16Å; I30-I101 WeakPolarHBondContact CA-O 3.21Å; Y31-I101 HydrophobicContact CD2-CB 4.34Å; Y31-I101 PolarHBondContact N-O 2.86Å; Y31-I101 PolarHBondContact O-N 2.9Å; F33-I101 HydrophobicContact CE2-CD1 3.81Å; F33-I101 HydrophobicContact CE2-CG1 4.07Å; F33-I101 HydrophobicContact CZ-CD1 4.28Å; L43-I101 HydrophobicContact CD1-CD1 4.08Å; L43-I101 HydrophobicContact CD1-CG1 4.21Å; F45-I101 HydrophobicContact CZ-CD1 3.97Å; I61-I101 HydrophobicContact CB-CG2 3.78Å; I61-I101 HydrophobicContact CD1-CG2 4.12Å; I61-I101 HydrophobicContact CG2-CG2 3.95Å; D62-I101 CarbonylContact O-C 3.44Å; D62-I101 WeakPolarHBondContact O-CA 3.42Å; I63-I101 HydrophobicContact CG1-CG1 4.47Å |
| 102 | V | 94.7 | Very high | 90.6 | Very high | 14 Ų | 14 | 32.4 Ų | 32.4 | 9% | 0.085 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 106.8 | 170.8 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | Q28 I61 D62 Y64 L74 V100 | Q28-V102 HydrophobicContact CG-CG1 4.48Å; I61-V102 CarbonylContact C-O 3.56Å; I61-V102 WeakPolarHBondContact CA-O 3.15Å; D62-V102 HydrophobicContact CB-CB 4.3Å; D62-V102 PolarHBondContact N-O 2.82Å; D62-V102 PolarHBondContact O-N 2.77Å; Y64-V102 HydrophobicContact CD2-CG2 4.31Å; Y64-V102 HydrophobicContact CE2-CG2 3.89Å; L74-V102 HydrophobicContact CD1-CG2 3.69Å; V100-V102 HydrophobicContact CG1-CG2 4.04Å |
| 103 | F | 95.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 120.3 | 174.9 | 179.2 | -146 | 0 | 0 | 0 | 110.1 | Y23 L27 Q28 C29 Y31 L50 I61 V105 F115 | Y23-F103 HydrophobicContact CD1-CE1 4.47Å; Y23-F103 AromaticContact CD1-CZ 3.96Å; Y23-F103 HydrophobicContact CD1-CZ 3.96Å; Y23-F103 HydrophobicContact CD2-CE1 4.38Å; Y23-F103 AromaticContact CD2-CZ 3.87Å; Y23-F103 HydrophobicContact CD2-CZ 3.87Å; Y23-F103 HydrophobicContact CE1-CZ 4.06Å; Y23-F103 AromaticContact CE2-CZ 3.97Å; Y23-F103 HydrophobicContact CE2-CZ 3.97Å; Y23-F103 HydrophobicContact CG-CE1 4.15Å; Y23-F103 AromaticContact CG-CZ 3.85Å; Y23-F103 HydrophobicContact CG-CZ 3.85Å; L27-F103 HydrophobicContact CD2-CD1 4.38Å; L27-F103 HydrophobicContact CD2-CE1 4.17Å; Q28-F103 VanDerWaalsContact CA-O 3.3Å; Q28-F103 WeakPolarHBondContact CA-O 3.02Å; C29-F103 HydrophobicContact CB-CB 4.29Å; C29-F103 HydrophobicContact CB-CD1 4.48Å; C29-F103 PolarHBondContact N-O 2.87Å; C29-F103 PolarHBondContact O-N 2.95Å; Y31-F103 HydrophobicContact CE2-CB 4.1Å; L50-F103 HydrophobicContact CD1-CD2 4.49Å; L50-F103 HydrophobicContact CD1-CE2 4.07Å; L50-F103 HydrophobicContact CD2-CE2 3.61Å; L50-F103 HydrophobicContact CD2-CZ 3.9Å; L50-F103 HydrophobicContact CG-CE2 4.49Å; I61-F103 HydrophobicContact CG2-CB 3.95Å; I61-F103 HydrophobicContact CG2-CD2 3.66Å; I61-F103 HydrophobicContact CG2-CG 4.12Å; F103-V105 HydrophobicContact CD1-CG2 4.25Å; F103-V105 HydrophobicContact CD2-CG2 4.15Å; F103-V105 HydrophobicContact CE1-CG2 3.6Å; F103-V105 HydrophobicContact CE2-CG2 3.47Å; F103-V105 VanDerWaalsContact CE2-CG2 3.47Å; F103-V105 HydrophobicContact CZ-CG2 3.16Å; F103-F115 HydrophobicContact CB-CE1 4.1Å; F103-F115 HydrophobicContact CB-CZ 4.22Å; F103-F115 AromaticContact CD1-CE1 3.82Å; F103-F115 HydrophobicContact CD1-CE1 3.82Å; F103-F115 HydrophobicContact CD1-CZ 4.31Å; F103-F115 AromaticContact CD2-CE1 3.9Å; F103-F115 HydrophobicContact CD2-CE1 3.9Å; F103-F115 HydrophobicContact CE1-CE1 4.15Å; F103-F115 HydrophobicContact CE2-CE1 4.25Å; F103-F115 AromaticContact CG-CE1 3.68Å; F103-F115 HydrophobicContact CG-CE1 3.68Å; F103-F115 HydrophobicContact CG-CZ 4.24Å; F103-F115 HydrophobicContact CZ-CE1 4.35Å |
| 104 | H | 93.8 | Very high | 90.5 | Very high | 57 Ų | 57 | 36.4 Ų | 36.4 | 26% | 0.264 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 125.1 | -179.8 | -171.6 | 78.3 | 0 | 0 | 0 | 110.9 | D59 Y60 | D59-H104 WeakPolarHBondContact CA-O 3.45Å; Y60-H104 HydrophobicContact CD2-CB 4.3Å; Y60-H104 HydrophobicContact CE1-CB 4.31Å; Y60-H104 AromaticContact CE1-CD2 3.77Å; Y60-H104 HydrophobicContact CE2-CB 3.83Å; Y60-H104 AromaticContact CZ-CD2 3.77Å; Y60-H104 AromaticContact CZ-CG 3.97Å; Y60-H104 PolarHBondContact N-O 2.96Å; Y60-H104 VanDerWaalsContact N-O 3.08Å; Y60-H104 PolarHBondContact O-N 3.04Å |
| 105 | V | 92.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 124.9 | 178.9 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | Y23 N26 L27 D59 F103 | Y23-V105 HydrophobicContact CD2-CB 4.46Å; Y23-V105 HydrophobicContact CD2-CG1 3.9Å; Y23-V105 HydrophobicContact CD2-CG2 3.68Å; Y23-V105 HydrophobicContact CE2-CB 4.41Å; Y23-V105 HydrophobicContact CE2-CG1 3.74Å; Y23-V105 HydrophobicContact CE2-CG2 3.73Å; N26-V105 WeakPolarHBondContact CA-O 3.5Å; L27-V105 HydrophobicContact CB-CB 4.02Å; L27-V105 HydrophobicContact CB-CG2 4.15Å; L27-V105 PolarHBondContact N-O 2.91Å; L27-V105 PolarHBondContact O-N 2.74Å; D59-V105 WeakPolarHBondContact OD1-CA 3.47Å; F103-V105 HydrophobicContact CD1-CG2 4.25Å; F103-V105 HydrophobicContact CD2-CG2 4.15Å; F103-V105 HydrophobicContact CE1-CG2 3.6Å; F103-V105 HydrophobicContact CE2-CG2 3.47Å; F103-V105 VanDerWaalsContact CE2-CG2 3.47Å; F103-V105 HydrophobicContact CZ-CG2 3.16Å |
| 106 | R | 89.8 | Confident | 90.8 | Very high | 85 Ų | 85 | 35.6 Ų | 35.6 | 32% | 0.321 | 19% | 0.189 | S | C | . | . | trans | -71.5 | 160 | -179.3 | -68.3 | -176.5 | -56.6 | 166.2 | 19.7 | 112.1 | N26 E58 D59 N108 S109 | N26-R106 PolarHBondContact N-O 3.31Å; E58-R106 VanDerWaalsContact CA-CZ 3.44Å; E58-R106 VanDerWaalsContact O-CD 3.31Å; E58-R106 WeakPolarHBondContact O-CD 3.02Å; E58-R106 WeakPolarHBondContact O-CG 3.2Å; E58-R106 PolarHBondContact O-NE 2.87Å; E58-R106 IonicContact OE1-NH2 3.71Å; E58-R106 PolarHBondContact OE1-NH2 3.48Å; E58-R106 IonicContact OE2-NH2 3.42Å; E58-R106 PolarHBondContact OE2-NH2 3.21Å; D59-R106 PolarHBondContact OD1-N 3.46Å; R106-N108 VanDerWaalsContact C-N 3.28Å; R106-N108 PolarHBondContact O-N 3.06Å; R106-S109 PolarHBondContact O-N 3.5Å | ||
| 107 | S | 86.3 | Confident | 91 | Very high | 87 Ų | 87 | 33.4 Ų | 33.4 | 61% | 0.608 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -26.4 | -175 | 55.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 108 | N | 85.3 | Confident | 91.2 | Very high | 122 Ų | 122 | 34.3 Ų | 34.3 | 65% | 0.652 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | 11.1 | -179.7 | 65.7 | -23.6 | 0 | 0 | 0 | 113.6 | R106 | R106-N108 VanDerWaalsContact C-N 3.28Å; R106-N108 PolarHBondContact O-N 3.06Å |
| 109 | S | 82.9 | Confident | 91.3 | Very high | 9 Ų | 9 | 34.7 Ų | 34.7 | 6% | 0.063 | 19% | 0.187 | C | C | . | . | trans | -68.3 | 137.1 | 179 | 179.1 | 0 | 0 | 0 | 0 | 111.6 | D59 R106 G111 | D59-S109 WeakPolarHBondContact OD1-CB 3.19Å; D59-S109 WeakPolarHBondContact OD2-CB 3.34Å; D59-S109 PolarHBondContact OD2-OG 2.75Å; R106-S109 PolarHBondContact O-N 3.5Å; S109-G111 PolarHBondContact O-N 2.87Å; S109-G111 PolarHBondContact OG-N 3.29Å | ||
| 110 | I | 82.3 | Confident | 91.4 | Very high | 148 Ų | 148 | 36 Ų | 36 | 76% | 0.759 | 20% | 0.196 | S | C | * | . | trans | -74.3 | -11.4 | 173.7 | -61.5 | 169.8 | 0 | 0 | 0 | 111.2 | ||||
| 111 | G | 81.1 | Confident | 91.4 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 6% | 0.062 | 20% | 0.197 | C | C | . | . | trans | 71.2 | 134.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | K22 S109 | K22-G111 WeakPolarHBondContact CD-O 3.16Å; K22-G111 WeakPolarHBondContact CE-O 3.46Å; K22-G111 PolarHBondContact NZ-O 2.87Å; S109-G111 PolarHBondContact O-N 2.87Å; S109-G111 PolarHBondContact OG-N 3.29Å | ||
| 112 | G | 84.1 | Confident | 91.4 | Very high | 11 Ų | 11 | 38.2 Ų | 38.2 | 11% | 0.113 | 21% | 0.207 | C | C | . | . | trans | -95.1 | -175.6 | 169 | 0 | 0 | 0 | 0 | 0 | 112.5 | K22 Y23 G114 | K22-G112 VanDerWaalsContact CA-O 3.28Å; K22-G112 WeakPolarHBondContact CA-O 3.46Å; Y23-G112 VanDerWaalsContact CD1-O 3.27Å; Y23-G112 WeakPolarHBondContact CD1-O 3.3Å; Y23-G112 VanDerWaalsContact CE1-N 3.26Å; Y23-G112 VanDerWaalsContact CE1-O 3.27Å; Y23-G112 WeakPolarHBondContact CE1-O 3.35Å; Y23-G112 PolarHBondContact OH-N 3.06Å; G112-G114 PolarHBondContact O-N 2.92Å | ||
| 113 | Q | 91.4 | Very high | 91.3 | Very high | 88 Ų | 88 | 40.2 Ų | 40.2 | 41% | 0.411 | 22% | 0.222 | S | C | . | . | trans | -62.8 | -23.3 | 175 | -170.5 | 176.6 | -0.5 | 0 | 0 | 112.1 | Y19 Q49 | Y19-Q113 WeakPolarHBondContact CD2-O 3.48Å; Y19-Q113 HydrophobicContact CE2-CG 4.17Å; Q49-Q113 HydrophobicContact CB-CB 4.17Å; Q49-Q113 PolarHBondContact O-N 3.37Å | ||
| 114 | G | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 94.9 | -150.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S16 Y23 Q49 G112 | S16-G114 VanDerWaalsContact OG-CA 3.25Å; S16-G114 WeakPolarHBondContact OG-CA 3.14Å; Y23-G114 VanDerWaalsContact CD1-CA 3.48Å; Q49-G114 CarbonylContact C-O 3.55Å; Q49-G114 PolarHBondContact N-O 2.92Å; Q49-G114 PolarHBondContact O-N 3.37Å; G112-G114 PolarHBondContact O-N 2.92Å |
| 115 | F | 95.2 | Very high | 91 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 150.9 | 176.2 | 59.6 | -93.7 | 0 | 0 | 0 | 111.3 | F14 T15 S16 Y31 F45 S47 F48 L50 I61 F103 | F14-F115 HydrophobicContact CD2-CD2 4.16Å; F14-F115 AromaticContact CD2-CE2 3.92Å; F14-F115 HydrophobicContact CD2-CE2 3.92Å; F14-F115 AromaticContact CE2-CD2 3.9Å; F14-F115 HydrophobicContact CE2-CD2 3.9Å; F14-F115 AromaticContact CE2-CE2 3.93Å; F14-F115 HydrophobicContact CE2-CE2 3.93Å; T15-F115 CarbonylContact C-O 3.51Å; T15-F115 WeakPolarHBondContact CA-O 3.48Å; S16-F115 PolarHBondContact N-O 3.08Å; S16-F115 PolarHBondContact OG-N 3.24Å; S16-F115 PolarHBondContact OG-O 3.2Å; Y31-F115 HydrophobicContact CD2-CZ 4.44Å; Y31-F115 HydrophobicContact CE2-CE2 4.4Å; Y31-F115 AromaticContact CE2-CZ 3.78Å; Y31-F115 HydrophobicContact CE2-CZ 3.78Å; F45-F115 HydrophobicContact CD1-CB 4.28Å; F45-F115 HydrophobicContact CD1-CD2 4.45Å; F45-F115 HydrophobicContact CE1-CB 4.44Å; F45-F115 AromaticContact CE1-CD2 3.99Å; F45-F115 HydrophobicContact CE1-CD2 3.99Å; F45-F115 HydrophobicContact CE1-CG 4.33Å; S47-F115 CarbonylContact O-C 3.6Å; S47-F115 WeakPolarHBondContact O-CA 3.2Å; S47-F115 WeakPolarHBondContact O-CB 3.45Å; F48-F115 HydrophobicContact CD2-CB 3.72Å; F48-F115 HydrophobicContact CE2-CB 4.29Å; L50-F115 HydrophobicContact CD2-CD1 4.17Å; I61-F115 HydrophobicContact CG2-CD1 4.09Å; I61-F115 HydrophobicContact CG2-CE1 3.6Å; I61-F115 HydrophobicContact CG2-CZ 4.15Å; F103-F115 HydrophobicContact CB-CE1 4.1Å; F103-F115 HydrophobicContact CB-CZ 4.22Å; F103-F115 AromaticContact CD1-CE1 3.82Å; F103-F115 HydrophobicContact CD1-CE1 3.82Å; F103-F115 HydrophobicContact CD1-CZ 4.31Å; F103-F115 AromaticContact CD2-CE1 3.9Å; F103-F115 HydrophobicContact CD2-CE1 3.9Å; F103-F115 HydrophobicContact CE1-CE1 4.15Å; F103-F115 HydrophobicContact CE2-CE1 4.25Å; F103-F115 AromaticContact CG-CE1 3.68Å; F103-F115 HydrophobicContact CG-CE1 3.68Å; F103-F115 HydrophobicContact CG-CZ 4.24Å; F103-F115 HydrophobicContact CZ-CE1 4.35Å |
| 116 | A | 96.2 | Very high | 91 | Very high | 10 Ų | 10 | 46.6 Ų | 46.6 | 8% | 0.083 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 144.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109 | F14 T15 Y19 D46 S47 | F14-A116 WeakPolarHBondContact O-CA 3.26Å; T15-A116 HydrophobicContact CG2-CB 3.86Å; Y19-A116 HydrophobicContact CD1-CB 3.82Å; Y19-A116 HydrophobicContact CD2-CB 4.14Å; Y19-A116 HydrophobicContact CE1-CB 3.44Å; Y19-A116 VanDerWaalsContact CE1-CB 3.44Å; Y19-A116 HydrophobicContact CE2-CB 3.8Å; Y19-A116 HydrophobicContact CG-CB 4.16Å; Y19-A116 VanDerWaalsContact CZ-CB 3.43Å; D46-A116 PolarHBondContact N-O 3.5Å; S47-A116 PolarHBondContact N-O 3.33Å; S47-A116 PolarHBondContact O-N 3.06Å |
| 117 | G | 96.3 | Very high | 91.1 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 175.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S13 F14 V44 D46 | S13-G117 CarbonylContact C-O 3.54Å; S13-G117 VanDerWaalsContact CA-O 3.25Å; S13-G117 WeakPolarHBondContact CA-O 3.3Å; S13-G117 WeakPolarHBondContact CB-O 3.45Å; F14-G117 PolarHBondContact N-O 3.16Å; F14-G117 PolarHBondContact O-N 2.87Å; V44-G117 CarbonylContact O-C 3.48Å; V44-G117 WeakPolarHBondContact O-CA 3.08Å; D46-G117 WeakPolarHBondContact OD2-CA 3.4Å |
| 118 | T | 96.7 | Very high | 91.3 | Very high | 58 Ų | 58 | 41.4 Ų | 41.4 | 36% | 0.356 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 140.9 | 175.1 | 51.5 | 0 | 0 | 0 | 0 | 110.6 | G12 V44 | G12-T118 CarbonylContact O-C 3.52Å; G12-T118 VanDerWaalsContact O-CA 3.22Å; G12-T118 WeakPolarHBondContact O-CA 3.3Å; V44-T118 PolarHBondContact N-O 3.21Å; V44-T118 PolarHBondContact O-N 2.99Å |
| 119 | Y | 95.8 | Very high | 91.5 | Very high | 27 Ų | 27 | 36.2 Ų | 36.2 | 11% | 0.106 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 146.7 | 169.9 | 70.7 | -89.2 | 0 | 0 | 0 | 109.3 | Y2 E11 G12 F14 F33 K42 F121 | Y2-Y119 HydrophobicContact CD1-CD1 4.04Å; Y2-Y119 AromaticContact CD1-CE1 3.38Å; Y2-Y119 HydrophobicContact CD1-CE1 3.38Å; Y2-Y119 HydrophobicContact CD1-CE2 4.48Å; Y2-Y119 AromaticContact CD1-CZ 3.65Å; Y2-Y119 HydrophobicContact CE1-CD1 4.38Å; Y2-Y119 AromaticContact CE1-CE1 3.81Å; Y2-Y119 HydrophobicContact CE1-CE1 3.81Å; Y2-Y119 HydrophobicContact CG-CE1 4.18Å; E11-Y119 CarbonylContact C-O 3.58Å; E11-Y119 VanDerWaalsContact CA-O 3.22Å; E11-Y119 WeakPolarHBondContact CA-O 3.34Å; G12-Y119 VanDerWaalsContact C-CD1 3.45Å; G12-Y119 VanDerWaalsContact CA-CE1 3.44Å; G12-Y119 PolarHBondContact N-O 3.4Å; G12-Y119 WeakPolarHBondContact O-CD1 3.07Å; G12-Y119 PolarHBondContact O-N 2.96Å; F14-Y119 HydrophobicContact CD1-CD1 4.24Å; F33-Y119 HydrophobicContact CD1-CD1 4.48Å; F33-Y119 HydrophobicContact CD1-CD2 4.27Å; F33-Y119 AromaticContact CD1-CG 3.97Å; F33-Y119 HydrophobicContact CD1-CG 3.97Å; F33-Y119 AromaticContact CE1-CD1 3.86Å; F33-Y119 HydrophobicContact CE1-CD1 3.86Å; F33-Y119 HydrophobicContact CE1-CD2 4.43Å; F33-Y119 AromaticContact CE1-CG 3.71Å; F33-Y119 HydrophobicContact CE1-CG 3.71Å; K42-Y119 CarbonylContact O-C 3.56Å; K42-Y119 VanDerWaalsContact O-CA 3.27Å; K42-Y119 WeakPolarHBondContact O-CA 3.26Å; Y119-F121 HydrophobicContact CD2-CE2 4.07Å; Y119-F121 HydrophobicContact CD2-CZ 4.1Å; Y119-F121 HydrophobicContact CE2-CD2 4.48Å; Y119-F121 AromaticContact CE2-CE2 3.74Å; Y119-F121 HydrophobicContact CE2-CE2 3.74Å; Y119-F121 HydrophobicContact CE2-CZ 4.03Å |
| 120 | S | 95.9 | Very high | 91.8 | Very high | 26 Ų | 26 | 37.6 Ų | 37.6 | 18% | 0.182 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 142.6 | 170.7 | 49.5 | 0 | 0 | 0 | 0 | 110.2 | T10 K42 | T10-S120 CarbonylContact O-C 3.53Å; T10-S120 WeakPolarHBondContact O-CA 3.42Å; K42-S120 WeakPolarHBondContact CB-OG 2.84Å; K42-S120 PolarHBondContact N-O 3.41Å; K42-S120 PolarHBondContact O-N 2.89Å |
| 121 | F | 95.8 | Very high | 92.3 | Very high | 11 Ų | 11 | 33.7 Ų | 33.7 | 5% | 0.048 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 105.2 | 172.1 | -58.4 | -62.6 | 0 | 0 | 0 | 108.2 | H4 T10 A35 F39 R40 V41 Y119 | H4-F121 HydrophobicContact CB-CB 4.42Å; H4-F121 HydrophobicContact CB-CD1 4.07Å; H4-F121 HydrophobicContact CB-CD2 3.49Å; H4-F121 VanDerWaalsContact CB-CD2 3.49Å; H4-F121 HydrophobicContact CB-CE1 4.16Å; H4-F121 HydrophobicContact CB-CE2 3.6Å; H4-F121 HydrophobicContact CB-CG 3.74Å; H4-F121 HydrophobicContact CB-CZ 3.93Å; H4-F121 AromaticContact CG-CD2 3.65Å; H4-F121 AromaticContact CG-CG 3.82Å; H4-F121 AromaticContact ND1-CG 3.87Å; T10-F121 PolarHBondContact O-N 3.44Å; A35-F121 HydrophobicContact CB-CD1 3.65Å; A35-F121 HydrophobicContact CB-CE1 4.16Å; A35-F121 HydrophobicContact CB-CG 4.48Å; F39-F121 HydrophobicContact CD1-CB 4.39Å; R40-F121 CarbonylContact O-C 3.55Å; R40-F121 WeakPolarHBondContact O-CA 3.47Å; V41-F121 HydrophobicContact CG2-CD1 4.19Å; V41-F121 HydrophobicContact CG2-CE1 4.09Å; Y119-F121 HydrophobicContact CD2-CE2 4.07Å; Y119-F121 HydrophobicContact CD2-CZ 4.1Å; Y119-F121 HydrophobicContact CE2-CD2 4.48Å; Y119-F121 AromaticContact CE2-CE2 3.74Å; Y119-F121 HydrophobicContact CE2-CE2 3.74Å; Y119-F121 HydrophobicContact CE2-CZ 4.03Å |
| 122 | I | 94.4 | Very high | 92.6 | Very high | 39 Ų | 39 | 37.4 Ų | 37.4 | 20% | 0.2 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 151.2 | -175.7 | 62.7 | 169.4 | 0 | 0 | 0 | 110.5 | F39 R40 K42 I93 Y127 | F39-I122 CarbonylContact C-O 3.5Å; F39-I122 WeakPolarHBondContact CA-O 3.36Å; F39-I122 WeakPolarHBondContact CD1-O 3.36Å; R40-I122 HydrophobicContact CB-CG1 4.03Å; R40-I122 PolarHBondContact N-O 3.01Å; R40-I122 PolarHBondContact O-N 3.16Å; K42-I122 HydrophobicContact CB-CD1 4.21Å; K42-I122 HydrophobicContact CB-CG1 4.38Å; K42-I122 HydrophobicContact CB-CG2 4.01Å; K42-I122 HydrophobicContact CD-CG2 4.16Å; I93-I122 HydrophobicContact CD1-CD1 3.94Å; I93-I122 HydrophobicContact CG2-CD1 4.16Å; I122-Y127 HydrophobicContact CD1-CE2 3.94Å |
| 123 | S | 93.4 | Very high | 92.6 | Very high | 57 Ų | 57 | 41.1 Ų | 41.1 | 40% | 0.399 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 140 | 174.8 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | S125 P126 | S123-S125 VanDerWaalsContact C-N 3.26Å; S123-S125 WeakPolarHBondContact OG-CB 3.47Å; S123-S125 PolarHBondContact OG-N 3.48Å; S123-P126 WeakPolarHBondContact O-CD 3.38Å |
| 124 | E | 91.9 | Very high | 91.9 | Very high | 36 Ų | 36 | 38.5 Ų | 38.5 | 17% | 0.168 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -72.4 | -18.8 | 171.3 | 174.5 | 160.9 | -136.8 | 0 | 0 | 112.8 | H38 R40 P126 Y127 S128 | H38-E124 VanDerWaalsContact O-CB 3.24Å; H38-E124 WeakPolarHBondContact O-CB 3.36Å; H38-E124 PolarHBondContact O-N 2.77Å; R40-E124 HydrophobicContact CG-CB 4.23Å; R40-E124 IonicContact CZ-OE1 3.13Å; R40-E124 IonicContact NE-OE1 2.65Å; R40-E124 PolarHBondContact NE-OE1 3.24Å; R40-E124 IonicContact NH2-OE1 2.82Å; R40-E124 PolarHBondContact NH2-OE1 3.35Å; E124-P126 VanDerWaalsContact C-N 3.33Å; E124-P126 VanDerWaalsContact O-N 3.08Å; E124-Y127 WeakPolarHBondContact O-CA 3.26Å; E124-Y127 WeakPolarHBondContact O-CB 3.3Å; E124-Y127 PolarHBondContact O-N 3.37Å; E124-S128 WeakPolarHBondContact CG-OG 3.42Å; E124-S128 PolarHBondContact O-N 3.19Å |
| 125 | S | 90.9 | Very high | 90.7 | Very high | 86 Ų | 86 | 44.8 Ų | 44.8 | 60% | 0.601 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -38.8 | -172.6 | -178 | 0 | 0 | 0 | 0 | 115.6 | S123 Y127 S128 | S123-S125 VanDerWaalsContact C-N 3.26Å; S123-S125 WeakPolarHBondContact OG-CB 3.47Å; S123-S125 PolarHBondContact OG-N 3.48Å; S125-Y127 PolarHBondContact O-N 2.96Å; S125-S128 PolarHBondContact O-N 3.25Å |
| 126 | P | 91.9 | Very high | 89.5 | Confident | 71 Ų | 71 | 52.7 Ų | 52.7 | 46% | 0.461 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -19.2 | 176.4 | -22.3 | 35.4 | 0 | 0 | 0 | 115 | S123 E124 L153 | S123-P126 WeakPolarHBondContact O-CD 3.38Å; E124-P126 VanDerWaalsContact C-N 3.33Å; E124-P126 VanDerWaalsContact O-N 3.08Å; P126-L153 HydrophobicContact CB-CD1 3.94Å |
| 127 | Y | 91.8 | Very high | 88.5 | Confident | 22 Ų | 22 | 56.9 Ų | 56.9 | 9% | 0.086 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -20.6 | -179 | -56.8 | -84.3 | 0 | 0 | 0 | 112.8 | R40 I93 I122 E124 S125 Y140 L153 P155 Y157 | R40-Y127 VanDerWaalsContact NH1-CG 3.3Å; I93-Y127 HydrophobicContact CG2-CE1 4.44Å; I93-Y127 HydrophobicContact CG2-CE2 4.4Å; I122-Y127 HydrophobicContact CD1-CE2 3.94Å; E124-Y127 WeakPolarHBondContact O-CA 3.26Å; E124-Y127 WeakPolarHBondContact O-CB 3.3Å; E124-Y127 PolarHBondContact O-N 3.37Å; S125-Y127 PolarHBondContact O-N 2.96Å; Y127-Y140 VanDerWaalsContact O-CZ 3.29Å; Y127-Y140 PolarHBondContact O-OH 3.2Å; Y127-L153 HydrophobicContact CD1-CB 4.18Å; Y127-L153 HydrophobicContact CD1-CD1 4.24Å; Y127-L153 HydrophobicContact CE1-CB 4.39Å; Y127-L153 HydrophobicContact CE1-CD1 4.06Å; Y127-P155 WeakPolarHBondContact CD1-O 3.27Å; Y127-Y157 WeakPolarHBondContact CE1-O 3.39Å; Y127-Y157 PolarHBondContact OH-O 2.79Å |
| 128 | S | 89.9 | Confident | 88.2 | Confident | 40 Ų | 40 | 57.5 Ų | 57.5 | 28% | 0.28 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -101.2 | 87.3 | 177.5 | -62.7 | 0 | 0 | 0 | 0 | 110.1 | E124 S125 | E124-S128 WeakPolarHBondContact CG-OG 3.42Å; E124-S128 PolarHBondContact O-N 3.19Å; S125-S128 PolarHBondContact O-N 3.25Å |
| 129 | I | 90.7 | Very high | 88.1 | Confident | 14 Ų | 14 | 55.8 Ų | 55.8 | 7% | 0.072 | 32% | 0.318 | C | S | . | . | trans | -96.1 | 131.7 | -175.1 | -169.6 | 159.6 | 0 | 0 | 0 | 112.5 | Y140 I142 L147 S151 I152 Y169 F253 | I129-Y140 HydrophobicContact CG2-CD1 4.35Å; I129-Y140 HydrophobicContact CG2-CD2 4.17Å; I129-Y140 HydrophobicContact CG2-CG 3.88Å; I129-Y140 WeakPolarHBondContact O-CB 3.43Å; I129-Y140 WeakPolarHBondContact O-CD1 3.34Å; I129-I142 HydrophobicContact CB-CD1 4.36Å; I129-I142 HydrophobicContact CD1-CD1 3.69Å; I129-I142 HydrophobicContact CG1-CD1 3.67Å; I129-I142 HydrophobicContact CG1-CG1 4.02Å; I129-I142 HydrophobicContact CG2-CD1 3.82Å; I129-I142 HydrophobicContact CG2-CG1 4.29Å; I129-L147 HydrophobicContact CD1-CD2 3.8Å; I129-L147 HydrophobicContact CG1-CD2 3.63Å; I129-S151 WeakPolarHBondContact CD1-O 3.28Å; I129-I152 HydrophobicContact CD1-CG1 4.13Å; I129-Y169 HydrophobicContact CG2-CD1 4.17Å; I129-Y169 HydrophobicContact CG2-CE1 4.42Å; I129-F253 HydrophobicContact CD1-CE1 3.39Å; I129-F253 HydrophobicContact CD1-CZ 3.83Å | ||
| 130 | G | 89.5 | Confident | 88 | Confident | 38 Ų | 38 | 55.1 Ų | 55.1 | 39% | 0.392 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 63.1 | -145 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 131 | T | 91.5 | Very high | 88 | Confident | 65 Ų | 65 | 54.9 Ų | 54.9 | 40% | 0.399 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 122.8 | 178.4 | -55.1 | 0 | 0 | 0 | 0 | 110 | L133 L141 | T131-L133 PolarHBondContact O-N 3.33Å; T131-L141 PolarHBondContact N-O 2.91Å; T131-L141 PolarHBondContact O-N 2.84Å |
| 132 | Q | 87.4 | Confident | 88 | Confident | 84 Ų | 84 | 54.4 Ų | 54.4 | 39% | 0.393 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 122.5 | 175.8 | -172.3 | 173.1 | 5.9 | 0 | 0 | 110.3 | S134 V135 Y140 | Q132-S134 VanDerWaalsContact CG-O 3.23Å; Q132-S134 WeakPolarHBondContact CG-O 3.45Å; Q132-S134 PolarHBondContact NE2-O 3.26Å; Q132-V135 PolarHBondContact NE2-O 2.53Å; Q132-Y140 HydrophobicContact CB-CD1 4.26Å; Q132-Y140 HydrophobicContact CB-CE1 4.13Å; Q132-Y140 HydrophobicContact CG-CD1 4.47Å; Q132-Y140 HydrophobicContact CG-CE1 4.1Å |
| 133 | L | 84.9 | Confident | 88.1 | Confident | 90 Ų | 90 | 56.7 Ų | 56.7 | 47% | 0.471 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | -30.2 | -177.5 | -67.4 | 177.2 | 0 | 0 | 0 | 112.9 | T131 H139 L141 Q170 | T131-L133 PolarHBondContact O-N 3.33Å; L133-H139 HydrophobicContact CB-CB 4.19Å; L133-H139 PolarHBondContact N-O 2.96Å; L133-L141 HydrophobicContact CD1-CB 4.1Å; L133-L141 HydrophobicContact CD2-CB 4.01Å; L133-L141 HydrophobicContact CD2-CD2 4.04Å; L133-L141 HydrophobicContact CG-CB 4Å; L133-Q170 VanDerWaalsContact CD1-OE1 3.32Å |
| 134 | S | 76.3 | Confident | 88.3 | Confident | 33 Ų | 33 | 54.3 Ų | 54.3 | 23% | 0.231 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 128.1 | -177.7 | 176.9 | 0 | 0 | 0 | 0 | 108.7 | Q132 K136 E137 | Q132-S134 VanDerWaalsContact CG-O 3.23Å; Q132-S134 WeakPolarHBondContact CG-O 3.45Å; Q132-S134 PolarHBondContact NE2-O 3.26Å; S134-K136 VanDerWaalsContact C-N 3.28Å; S134-K136 PolarHBondContact O-N 3.05Å; S134-E137 PolarHBondContact OG-N 2.88Å; S134-E137 PolarHBondContact OG-OE2 2.96Å |
| 135 | V | 69.4 | Low | 88.4 | Confident | 131 Ų | 131 | 56.8 Ų | 56.8 | 79% | 0.794 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -32.7 | -178.9 | -178.1 | 0 | 0 | 0 | 0 | 111.2 | Q132 | Q132-V135 PolarHBondContact NE2-O 2.53Š|
| 136 | K | 69.4 | Low | 88.5 | Confident | 167 Ų | 167 | 58.3 Ų | 58.3 | 73% | 0.726 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -22.6 | -177.1 | -68.9 | -166.7 | 173.9 | -161.7 | 0 | 113.8 | S134 | S134-K136 VanDerWaalsContact C-N 3.28Å; S134-K136 PolarHBondContact O-N 3.05Å |
| 137 | E | 75.6 | Confident | 88.7 | Confident | 98 Ų | 98 | 57.6 Ų | 57.6 | 46% | 0.458 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 146.5 | -176.8 | -60.2 | 167.6 | 149.9 | 0 | 0 | 110.1 | S134 H139 | S134-E137 PolarHBondContact OG-N 2.88Å; S134-E137 PolarHBondContact OG-OE2 2.96Å; E137-H139 PolarHBondContact O-N 2.02Å; E137-H139 IonicContact OE2-CE1 2.91Å; E137-H139 PolarHBondContact OE2-CE1 3.28Å; E137-H139 IonicContact OE2-ND1 2.79Å; E137-H139 PolarHBondContact OE2-ND1 3.04Å; E137-H139 IonicContact OE2-NE2 3.47Å |
| 138 | C | 89 | Confident | 88.8 | Confident | 15 Ų | 15 | 59.7 Ų | 59.7 | 10% | 0.101 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 57.2 | 175.3 | 41.6 | 0 | 0 | 0 | 0 | 111 | Y140 P155 C167 I168 | C138-Y140 HydrophobicContact CB-CE2 4.24Å; C138-P155 HydrophobicContact CB-CG 4.22Å; C138-C167 HydrophobicContact CB-CB 3.74Å; C138-C167 WeakPolarHBondContact CB-SG 3.42Å; C138-C167 WeakPolarHBondContact O-CA 3.3Å; C138-C167 WeakPolarHBondContact O-CB 3.42Å; C138-C167 WeakPolarHBondContact SG-CA 3.49Å; C138-C167 WeakPolarHBondContact SG-CB 3.25Å; C138-C167 CovalentContact SG-SG 2.02Å; C138-C167 PolarHBondContact SG-SG 3.22Å; C138-I168 PolarHBondContact O-N 2.85Å; C138-I168 VanDerWaalsContact O-N 3.09Å |
| 139 | H | 94.1 | Very high | 89.2 | Confident | 22 Ų | 22 | 62.4 Ų | 62.4 | 10% | 0.102 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 118.1 | -178.7 | -65.2 | -179.9 | 0 | 0 | 0 | 110.2 | L133 E137 H166 I168 | L133-H139 HydrophobicContact CB-CB 4.19Å; L133-H139 PolarHBondContact N-O 2.96Å; E137-H139 PolarHBondContact O-N 2.02Å; E137-H139 IonicContact OE2-CE1 2.91Å; E137-H139 PolarHBondContact OE2-CE1 3.28Å; E137-H139 IonicContact OE2-ND1 2.79Å; E137-H139 PolarHBondContact OE2-ND1 3.04Å; E137-H139 IonicContact OE2-NE2 3.47Å; H139-H166 PolarHBondContact CD2-O 3.45Å; H139-H166 PolarHBondContact NE2-O 2.9Å; H139-I168 CarbonylContact C-O 3.54Å; H139-I168 VanDerWaalsContact CA-O 3.29Å; H139-I168 WeakPolarHBondContact CA-O 3.4Å; H139-I168 HydrophobicContact CB-CB 4.38Å; H139-I168 PolarHBondContact CD2-N 3.06Å |
| 140 | Y | 94.8 | Very high | 89.4 | Confident | 12 Ų | 12 | 62.8 Ų | 62.8 | 5% | 0.047 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 139.8 | -172.7 | -64.5 | -72.2 | 0 | 0 | 0 | 111.5 | Y127 I129 Q132 C138 I168 Y169 Q170 | Y127-Y140 VanDerWaalsContact O-CZ 3.29Å; Y127-Y140 PolarHBondContact O-OH 3.2Å; I129-Y140 HydrophobicContact CG2-CD1 4.35Å; I129-Y140 HydrophobicContact CG2-CD2 4.17Å; I129-Y140 HydrophobicContact CG2-CG 3.88Å; I129-Y140 WeakPolarHBondContact O-CB 3.43Å; I129-Y140 WeakPolarHBondContact O-CD1 3.34Å; Q132-Y140 HydrophobicContact CB-CD1 4.26Å; Q132-Y140 HydrophobicContact CB-CE1 4.13Å; Q132-Y140 HydrophobicContact CG-CD1 4.47Å; Q132-Y140 HydrophobicContact CG-CE1 4.1Å; C138-Y140 HydrophobicContact CB-CE2 4.24Å; Y140-I168 PolarHBondContact N-O 3.24Å; Y140-Y169 AromaticContact CD2-CD1 3.74Å; Y140-Y169 HydrophobicContact CD2-CD1 3.74Å; Y140-Y169 AromaticContact CD2-CE1 3.51Å; Y140-Y169 HydrophobicContact CD2-CE1 3.51Å; Y140-Y169 HydrophobicContact CE2-CE1 4.07Å; Y140-Y169 HydrophobicContact CG-CD1 4.35Å; Y140-Y169 HydrophobicContact CG-CE1 4.49Å; Y140-Y169 WeakPolarHBondContact O-CA 3.41Å; Y140-Q170 PolarHBondContact O-N 2.66Å |
| 141 | L | 95.2 | Very high | 89.7 | Confident | 22 Ų | 22 | 62.7 Ų | 62.7 | 12% | 0.115 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 119.8 | 174.7 | 179.4 | 61.1 | 0 | 0 | 0 | 109.6 | T131 L133 Y143 Q170 I172 | T131-L141 PolarHBondContact N-O 2.91Å; T131-L141 PolarHBondContact O-N 2.84Å; L133-L141 HydrophobicContact CD1-CB 4.1Å; L133-L141 HydrophobicContact CD2-CB 4.01Å; L133-L141 HydrophobicContact CD2-CD2 4.04Å; L133-L141 HydrophobicContact CG-CB 4Å; L141-Y143 HydrophobicContact CD1-CE2 4.44Å; L141-Y143 HydrophobicContact CD2-CE2 3.58Å; L141-Y143 WeakPolarHBondContact CD2-OH 3.41Å; L141-Y143 HydrophobicContact CG-CD2 4.29Å; L141-Y143 HydrophobicContact CG-CE2 3.72Å; L141-Q170 HydrophobicContact CD1-CB 3.59Å; L141-I172 HydrophobicContact CD1-CG1 3.6Å |
| 142 | I | 96.6 | Very high | 90 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 118.2 | -173.6 | -54 | 173 | 0 | 0 | 0 | 108.2 | I129 L147 I152 Q170 I171 I172 F253 F255 | I129-I142 HydrophobicContact CB-CD1 4.36Å; I129-I142 HydrophobicContact CD1-CD1 3.69Å; I129-I142 HydrophobicContact CG1-CD1 3.67Å; I129-I142 HydrophobicContact CG1-CG1 4.02Å; I129-I142 HydrophobicContact CG2-CD1 3.82Å; I129-I142 HydrophobicContact CG2-CG1 4.29Å; I142-L147 HydrophobicContact CG2-CB 4.21Å; I142-L147 HydrophobicContact CG2-CD2 4.25Å; I142-I152 HydrophobicContact CD1-CD1 4.17Å; I142-I152 HydrophobicContact CD1-CG1 4.2Å; I142-Q170 PolarHBondContact N-O 2.87Å; I142-I171 HydrophobicContact CD1-CG1 4.36Å; I142-I172 PolarHBondContact O-N 3.43Å; I142-F253 HydrophobicContact CD1-CE1 4.3Å; I142-F253 HydrophobicContact CD1-CZ 4.33Å; I142-F253 HydrophobicContact CG2-CE2 3.96Å; I142-F253 HydrophobicContact CG2-CZ 3.85Å; I142-F255 HydrophobicContact CG2-CE2 4.37Å |
| 143 | Y | 97 | Very high | 90.4 | Very high | 87 Ų | 87 | 56.7 Ų | 56.7 | 34% | 0.341 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 133.1 | 173.2 | -71.2 | -75.5 | 0 | 0 | 0 | 110.9 | L141 S145 Q146 L147 I172 | L141-Y143 HydrophobicContact CD1-CE2 4.44Å; L141-Y143 HydrophobicContact CD2-CE2 3.58Å; L141-Y143 WeakPolarHBondContact CD2-OH 3.41Å; L141-Y143 HydrophobicContact CG-CD2 4.29Å; L141-Y143 HydrophobicContact CG-CE2 3.72Å; Y143-S145 PolarHBondContact O-N 2.03Å; Y143-Q146 PolarHBondContact O-N 3.43Å; Y143-L147 PolarHBondContact O-N 3.23Å; Y143-I172 WeakPolarHBondContact CA-O 3.37Å; Y143-I172 HydrophobicContact CD1-CB 3.82Å; Y143-I172 HydrophobicContact CD1-CG2 3.88Å; Y143-I172 HydrophobicContact CE1-CB 3.92Å; Y143-I172 HydrophobicContact CE1-CG1 4.37Å; Y143-I172 HydrophobicContact CE1-CG2 3.76Å |
| 144 | S | 96.4 | Very high | 90.8 | Very high | 7 Ų | 7 | 52.4 Ų | 52.4 | 5% | 0.049 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -39 | 174.9 | 179.7 | 0 | 0 | 0 | 0 | 113 | Q146 L147 P148 I172 E177 F255 | S144-Q146 PolarHBondContact O-N 3.27Å; S144-L147 CarbonylContact O-C 3.51Å; S144-L147 PolarHBondContact O-N 2.04Å; S144-P148 WeakPolarHBondContact O-CA 3.1Å; S144-P148 WeakPolarHBondContact O-CD 3.41Å; S144-P148 VanDerWaalsContact O-N 3.17Å; S144-I172 PolarHBondContact N-O 2.84Å; S144-E177 WeakPolarHBondContact CB-OE2 3.38Å; S144-E177 PolarHBondContact OG-OE2 3.29Å; S144-F255 WeakPolarHBondContact OG-CB 3.31Å; S144-F255 WeakPolarHBondContact OG-CG 3.4Å |
| 145 | S | 94.7 | Very high | 91.6 | Very high | 88 Ų | 88 | 51.2 Ų | 51.2 | 62% | 0.615 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -26.3 | 179 | 57.6 | 0 | 0 | 0 | 0 | 114.4 | Y143 | Y143-S145 PolarHBondContact O-N 2.03Š|
| 146 | Q | 93.5 | Very high | 92.7 | Very high | 119 Ų | 119 | 45 Ų | 45 | 56% | 0.556 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98 | -37.9 | 178 | -61.2 | 177 | 6.7 | 0 | 0 | 111.5 | Y143 S144 | Y143-Q146 PolarHBondContact O-N 3.43Å; S144-Q146 PolarHBondContact O-N 3.27Å |
| 147 | L | 94.5 | Very high | 93.8 | Very high | 55 Ų | 55 | 38.8 Ų | 38.8 | 29% | 0.288 | 21% | 0.21 | S | C | . | . | trans | -140.3 | 80.6 | -172.2 | -163.3 | 62.3 | 0 | 0 | 0 | 110.2 | I129 I142 Y143 S144 N149 F253 F255 | I129-L147 HydrophobicContact CD1-CD2 3.8Å; I129-L147 HydrophobicContact CG1-CD2 3.63Å; I142-L147 HydrophobicContact CG2-CB 4.21Å; I142-L147 HydrophobicContact CG2-CD2 4.25Å; Y143-L147 PolarHBondContact O-N 3.23Å; S144-L147 CarbonylContact O-C 3.51Å; S144-L147 PolarHBondContact O-N 2.04Å; L147-N149 WeakPolarHBondContact CD1-O 3.48Å; L147-N149 WeakPolarHBondContact CG-O 3.35Å; L147-N149 PolarHBondContact O-N 3.11Å; L147-F253 HydrophobicContact CD2-CZ 3.82Å; L147-F253 HydrophobicContact CG-CZ 4.01Å; L147-F255 WeakPolarHBondContact O-CE2 3.37Å | ||
| 148 | P | 95.7 | Very high | 94.7 | Very high | 67 Ų | 67 | 36 Ų | 36 | 44% | 0.435 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -69.1 | -18.5 | -175.7 | 27.1 | -35.8 | 0 | 0 | 0 | 113.2 | S144 F255 | S144-P148 WeakPolarHBondContact O-CA 3.1Å; S144-P148 WeakPolarHBondContact O-CD 3.41Å; S144-P148 VanDerWaalsContact O-N 3.17Å; P148-F255 WeakPolarHBondContact O-CD2 3.29Å; P148-F255 PolarHBondContact O-N 3.12Å |
| 149 | N | 96.8 | Very high | 94.7 | Very high | 97 Ų | 97 | 35.3 Ų | 35.3 | 52% | 0.519 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 155.3 | 168.9 | 57.1 | 69.9 | 0 | 0 | 0 | 109.7 | L147 F253 K254 | L147-N149 WeakPolarHBondContact CD1-O 3.48Å; L147-N149 WeakPolarHBondContact CG-O 3.35Å; L147-N149 PolarHBondContact O-N 3.11Å; N149-F253 VanDerWaalsContact CA-O 3.28Å; N149-F253 WeakPolarHBondContact CA-O 3.28Å; N149-F253 WeakPolarHBondContact CB-O 3.16Å; N149-K254 HydrophobicContact CB-CB 4.32Å; N149-K254 HydrophobicContact CB-CG 4.38Å |
| 150 | G | 96 | Very high | 94.4 | Very high | 21 Ų | 21 | 36.4 Ų | 36.4 | 22% | 0.216 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.5 | -166.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | R252 F253 | G150-R252 WeakPolarHBondContact O-CA 3.47Å; G150-F253 VanDerWaalsContact CA-CE1 3.43Å; G150-F253 PolarHBondContact N-O 3.04Å; G150-F253 PolarHBondContact O-N 2.91Å |
| 151 | S | 96.1 | Very high | 94.2 | Very high | 37 Ų | 37 | 36.5 Ų | 36.5 | 26% | 0.259 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 127.8 | 178.1 | -67.1 | 0 | 0 | 0 | 0 | 111 | I129 H250 I251 | I129-S151 WeakPolarHBondContact CD1-O 3.28Å; S151-H250 WeakPolarHBondContact CB-NE2 3.16Å; S151-H250 PolarHBondContact OG-NE2 3.3Å; S151-I251 CarbonylContact C-O 3.47Å; S151-I251 VanDerWaalsContact CA-O 3.28Å; S151-I251 WeakPolarHBondContact CA-O 3.32Å |
| 152 | I | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 120.2 | 171.7 | -58.2 | 170.8 | 0 | 0 | 0 | 107.5 | I129 I142 Y169 I171 L234 F249 I251 F253 | I129-I152 HydrophobicContact CD1-CG1 4.13Å; I142-I152 HydrophobicContact CD1-CD1 4.17Å; I142-I152 HydrophobicContact CD1-CG1 4.2Å; I152-Y169 HydrophobicContact CD1-CG 4.5Å; I152-Y169 HydrophobicContact CG2-CD1 3.53Å; I152-Y169 HydrophobicContact CG2-CD2 4.12Å; I152-Y169 HydrophobicContact CG2-CE1 3.43Å; I152-Y169 VanDerWaalsContact CG2-CE1 3.43Å; I152-Y169 HydrophobicContact CG2-CE2 4.06Å; I152-Y169 HydrophobicContact CG2-CG 3.87Å; I152-I171 HydrophobicContact CD1-CD1 3.66Å; I152-I171 HydrophobicContact CD1-CG1 4.36Å; I152-L234 HydrophobicContact CD1-CD2 4.2Å; I152-F249 HydrophobicContact CG2-CE2 4.06Å; I152-I251 HydrophobicContact CB-CB 4.48Å; I152-I251 PolarHBondContact N-O 3.01Å; I152-I251 PolarHBondContact O-N 2.85Å; I152-F253 HydrophobicContact CD1-CD1 4.11Å; I152-F253 HydrophobicContact CG1-CD1 3.88Å; I152-F253 HydrophobicContact CG1-CE1 4.07Å |
| 153 | L | 95.9 | Very high | 93.3 | Very high | 22 Ų | 22 | 37.7 Ų | 37.7 | 12% | 0.115 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 138.4 | 174.4 | -56.4 | -176.3 | 0 | 0 | 0 | 109 | P126 Y127 Y157 Y169 H250 | P126-L153 HydrophobicContact CB-CD1 3.94Å; Y127-L153 HydrophobicContact CD1-CB 4.18Å; Y127-L153 HydrophobicContact CD1-CD1 4.24Å; Y127-L153 HydrophobicContact CE1-CB 4.39Å; Y127-L153 HydrophobicContact CE1-CD1 4.06Å; L153-Y157 HydrophobicContact CD2-CD1 3.86Å; L153-Y157 HydrophobicContact CD2-CE1 4.32Å; L153-Y169 PolarHBondContact O-OH 2.65Å; L153-H250 HydrophobicContact CD2-CB 3.78Å; L153-H250 WeakPolarHBondContact CD2-CD2 3.44Å |
| 154 | S | 94.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -59.9 | 150.4 | 162.6 | 69.3 | 0 | 0 | 0 | 0 | 109.5 | T156 Y157 G248 F249 | S154-T156 PolarHBondContact O-N 3.37Å; S154-Y157 WeakPolarHBondContact O-CB 3.23Å; S154-Y157 PolarHBondContact O-N 3.18Å; S154-G248 WeakPolarHBondContact OG-CA 3.33Å; S154-F249 PolarHBondContact N-O 2.79Å; S154-F249 PolarHBondContact OG-N 2.94Å | ||
| 155 | P | 91.8 | Very high | 92.5 | Very high | 8 Ų | 8 | 40.4 Ų | 40.4 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -25.7 | -161.5 | -31.3 | 36.4 | 0 | 0 | 0 | 117.1 | R40 L95 Y127 C138 M165 C167 | R40-P155 PolarHBondContact NH1-O 3.09Å; L95-P155 HydrophobicContact CD1-CB 3.52Å; Y127-P155 WeakPolarHBondContact CD1-O 3.27Å; C138-P155 HydrophobicContact CB-CG 4.22Å; P155-M165 HydrophobicContact CB-CE 3.95Å; P155-M165 HydrophobicContact CB-SD 4.38Å; P155-M165 HydrophobicContact CG-CE 3.6Å; P155-M165 HydrophobicContact CG-SD 4.06Å; P155-C167 WeakPolarHBondContact CG-SG 3.1Å |
| 156 | T | 92 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.4 | 18.3 | -179.8 | 57 | 0 | 0 | 0 | 0 | 113.1 | I93 L95 S154 G159 K160 Y161 P162 | I93-T156 WeakPolarHBondContact CB-O 3.47Å; I93-T156 VanDerWaalsContact CG1-O 3.29Å; I93-T156 WeakPolarHBondContact CG1-O 3.23Å; I93-T156 WeakPolarHBondContact O-CB 3.36Å; I93-T156 VanDerWaalsContact O-CG2 3.24Å; I93-T156 WeakPolarHBondContact O-CG2 3.37Å; L95-T156 HydrophobicContact CB-CG2 4.32Å; S154-T156 PolarHBondContact O-N 3.37Å; T156-G159 CarbonylContact O-C 3.58Å; T156-G159 WeakPolarHBondContact O-CA 3.41Å; T156-G159 PolarHBondContact O-N 2.72Å; T156-K160 VanDerWaalsContact OG1-C 3.23Å; T156-K160 PolarHBondContact OG1-O 2.79Å; T156-Y161 VanDerWaalsContact OG1-CA 3.24Å; T156-Y161 WeakPolarHBondContact OG1-CA 3.44Å; T156-Y161 PolarHBondContact OG1-N 3.19Å; T156-P162 HydrophobicContact CG2-CG 4.23Å |
| 157 | Y | 94.4 | Very high | 92.4 | Very high | 37 Ų | 37 | 34 Ų | 34 | 15% | 0.145 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 141.2 | 177.6 | 177.9 | -92.3 | 0 | 0 | 0 | 112.1 | Y127 L153 S154 G159 D185 R247 H250 | Y127-Y157 WeakPolarHBondContact CE1-O 3.39Å; Y127-Y157 PolarHBondContact OH-O 2.79Å; L153-Y157 HydrophobicContact CD2-CD1 3.86Å; L153-Y157 HydrophobicContact CD2-CE1 4.32Å; S154-Y157 WeakPolarHBondContact O-CB 3.23Å; S154-Y157 PolarHBondContact O-N 3.18Å; Y157-G159 VanDerWaalsContact C-N 3.27Å; Y157-D185 HydrophobicContact CE2-CB 4.04Å; Y157-D185 WeakPolarHBondContact CE2-OD2 3.17Å; Y157-D185 WeakPolarHBondContact OH-CB 3.22Å; Y157-D185 PolarHBondContact OH-OD2 2.86Å; Y157-R247 WeakPolarHBondContact CD2-O 3.39Å; Y157-H250 HydrophobicContact CD1-CB 4.18Å; Y157-H250 HydrophobicContact CD2-CB 4.45Å; Y157-H250 HydrophobicContact CE1-CB 3.66Å; Y157-H250 HydrophobicContact CE2-CB 4.01Å |
| 158 | P | 93.5 | Very high | 92.5 | Very high | 41 Ų | 41 | 32.1 Ų | 32.1 | 27% | 0.266 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -85.7 | 16.2 | -0.4 | 36.8 | -38 | 0 | 0 | 0 | 114 | I91 R247 | I91-P158 HydrophobicContact CD1-CG 4.09Å; I91-P158 HydrophobicContact CG2-CG 4.43Å; P158-R247 WeakPolarHBondContact O-CB 3.48Å; P158-R247 WeakPolarHBondContact O-CG 3.35Å |
| 159 | G | 89.9 | Confident | 92.5 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -82.6 | 176.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | I91 T156 Y157 Y161 R247 | I91-G159 WeakPolarHBondContact O-CA 3.46Å; T156-G159 CarbonylContact O-C 3.58Å; T156-G159 WeakPolarHBondContact O-CA 3.41Å; T156-G159 PolarHBondContact O-N 2.72Å; Y157-G159 VanDerWaalsContact C-N 3.27Å; G159-Y161 PolarHBondContact O-N 3.35Å; G159-R247 CarbonylContact O-C 3.42Å; G159-R247 VanDerWaalsContact O-O 3.13Å |
| 160 | K | 87.6 | Confident | 92.5 | Very high | 44 Ų | 44 | 26.6 Ų | 26.6 | 19% | 0.191 | 15% | 0.151 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 124.9 | -179.8 | -176.5 | -175.7 | 175 | -172 | 0 | 110.4 | T80 T156 H246 | T80-K160 PolarHBondContact O-NZ 2.81Å; T156-K160 VanDerWaalsContact OG1-C 3.23Å; T156-K160 PolarHBondContact OG1-O 2.79Å; K160-H246 WeakPolarHBondContact CA-O 3.44Å |
| 161 | Y | 89.7 | Confident | 92.6 | Very high | 14 Ų | 14 | 25.6 Ų | 25.6 | 6% | 0.055 | 14% | 0.14 | C | C | . | . | P | Polyproline II helix | trans | -70 | 145.1 | 173.6 | 60.4 | -103.6 | 0 | 0 | 0 | 112 | T156 G159 Y189 D198 F236 T238 H246 | T156-Y161 VanDerWaalsContact OG1-CA 3.24Å; T156-Y161 WeakPolarHBondContact OG1-CA 3.44Å; T156-Y161 PolarHBondContact OG1-N 3.19Å; G159-Y161 PolarHBondContact O-N 3.35Å; Y161-Y189 PolarHBondContact OH-N 3.42Å; Y161-D198 VanDerWaalsContact CE2-OD2 3.25Å; Y161-D198 WeakPolarHBondContact CE2-OD2 3.49Å; Y161-D198 PolarHBondContact OH-OD2 2.91Å; Y161-F236 HydrophobicContact CD1-CZ 4.23Å; Y161-F236 HydrophobicContact CD2-CZ 4.05Å; Y161-F236 HydrophobicContact CE1-CZ 4.42Å; Y161-F236 HydrophobicContact CE2-CZ 4.3Å; Y161-F236 HydrophobicContact CG-CE1 4.43Å; Y161-F236 HydrophobicContact CG-CZ 4.02Å; Y161-T238 HydrophobicContact CD2-CG2 3.64Å; Y161-T238 HydrophobicContact CE2-CG2 3.62Å; Y161-H246 HydrophobicContact CD1-CB 4.17Å; Y161-H246 WeakPolarHBondContact CD1-O 3.38Å; Y161-H246 HydrophobicContact CE1-CB 3.3Å; Y161-H246 PolarHBondContact N-O 3.49Å |
| 162 | P | 87.3 | Confident | 92.6 | Very high | 17 Ų | 17 | 25.4 Ų | 25.4 | 11% | 0.11 | 14% | 0.136 | C | C | . | . | P | Polyproline II helix | trans | -66.5 | 149.2 | 173.9 | -17.1 | 27.1 | 0 | 0 | 0 | 113.5 | V66 T156 M165 T238 | V66-P162 HydrophobicContact CG1-CB 3.76Å; V66-P162 HydrophobicContact CG1-CG 3.46Å; V66-P162 VanDerWaalsContact CG1-CG 3.46Å; T156-P162 HydrophobicContact CG2-CG 4.23Å; P162-M165 HydrophobicContact CB-CG 3.83Å; P162-M165 HydrophobicContact CB-SD 3.49Å; P162-M165 WeakPolarHBondContact CB-SD 3.28Å; P162-M165 WeakPolarHBondContact CD-SD 3.46Å; P162-M165 HydrophobicContact CG-CE 4.45Å; P162-M165 HydrophobicContact CG-CG 4.44Å; P162-M165 HydrophobicContact CG-SD 3.45Å; P162-M165 WeakPolarHBondContact CG-SD 3.32Å; P162-M165 WeakPolarHBondContact O-CG 3.34Å; P162-T238 PolarHBondContact O-OG1 3.12Å |
| 163 | G | 86.8 | Confident | 92.7 | Very high | 31 Ų | 31 | 25.8 Ų | 25.8 | 32% | 0.32 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -78.1 | 165.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M165 T238 T239 | G163-M165 PolarHBondContact O-N 3.28Å; G163-T238 WeakPolarHBondContact CA-OG1 3.21Å; G163-T239 VanDerWaalsContact CA-O 3.29Å; G163-T239 WeakPolarHBondContact CA-O 3.46Å |
| 164 | N | 86.8 | Confident | 92.7 | Very high | 127 Ų | 127 | 28.6 Ų | 28.6 | 68% | 0.679 | 15% | 0.152 | S | C | * | . | S | Bend | trans | 54.4 | 36.2 | 179.3 | -161.6 | 46 | 0 | 0 | 0 | 114.1 | T238 T239 N240 | N164-T238 WeakPolarHBondContact CA-O 3.5Å; N164-T238 PolarHBondContact N-O 2.9Å; N164-T238 PolarHBondContact N-OG1 3.01Å; N164-T239 PolarHBondContact N-O 3.13Å; N164-N240 HydrophobicContact CB-CB 4.47Å |
| 165 | M | 88 | Confident | 92.7 | Very high | 24 Ų | 24 | 33 Ų | 33 | 12% | 0.118 | 18% | 0.181 | C | C | . | . | trans | -98 | 149.8 | 178.3 | -65.4 | -166.1 | 81.9 | 0 | 0 | 111.8 | L95 P155 P162 G163 I237 T238 | L95-M165 HydrophobicContact CD1-CE 4.16Å; L95-M165 HydrophobicContact CD2-CE 4.33Å; P155-M165 HydrophobicContact CB-CE 3.95Å; P155-M165 HydrophobicContact CB-SD 4.38Å; P155-M165 HydrophobicContact CG-CE 3.6Å; P155-M165 HydrophobicContact CG-SD 4.06Å; P162-M165 HydrophobicContact CB-CG 3.83Å; P162-M165 HydrophobicContact CB-SD 3.49Å; P162-M165 WeakPolarHBondContact CB-SD 3.28Å; P162-M165 WeakPolarHBondContact CD-SD 3.46Å; P162-M165 HydrophobicContact CG-CE 4.45Å; P162-M165 HydrophobicContact CG-CG 4.44Å; P162-M165 HydrophobicContact CG-SD 3.45Å; P162-M165 WeakPolarHBondContact CG-SD 3.32Å; P162-M165 WeakPolarHBondContact O-CG 3.34Å; G163-M165 PolarHBondContact O-N 3.28Å; M165-I237 CarbonylContact O-C 3.58Å; M165-I237 WeakPolarHBondContact O-CA 3.46Å; M165-T238 WeakPolarHBondContact CB-OG1 3.19Å; M165-T238 PolarHBondContact N-O 3.44Å; M165-T238 PolarHBondContact N-OG1 2.97Å; M165-T238 PolarHBondContact O-N 3.06Å | ||
| 166 | H | 93 | Very high | 92.7 | Very high | 72 Ų | 72 | 35.4 Ų | 35.4 | 33% | 0.333 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 98.8 | 169.2 | -177.7 | -141.6 | 0 | 0 | 0 | 109.4 | H139 E235 F236 | H139-H166 PolarHBondContact CD2-O 3.45Å; H139-H166 PolarHBondContact NE2-O 2.9Å; H166-E235 IonicContact CD2-OE1 2.96Å; H166-E235 IonicContact CE1-OE1 3.5Å; H166-E235 WeakPolarHBondContact NE2-CG 3.12Å; H166-E235 IonicContact NE2-OE1 2.82Å; H166-E235 PolarHBondContact NE2-OE1 3.04Å; H166-F236 CarbonylContact C-O 3.52Å; H166-F236 WeakPolarHBondContact CA-O 3.25Å |
| 167 | C | 94.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 140.1 | 176.5 | -53.9 | 0 | 0 | 0 | 0 | 110.7 | C138 P155 Y169 E235 F236 | C138-C167 HydrophobicContact CB-CB 3.74Å; C138-C167 WeakPolarHBondContact CB-SG 3.42Å; C138-C167 WeakPolarHBondContact O-CA 3.3Å; C138-C167 WeakPolarHBondContact O-CB 3.42Å; C138-C167 WeakPolarHBondContact SG-CA 3.49Å; C138-C167 WeakPolarHBondContact SG-CB 3.25Å; C138-C167 CovalentContact SG-SG 2.02Å; C138-C167 PolarHBondContact SG-SG 3.22Å; P155-C167 WeakPolarHBondContact CG-SG 3.1Å; C167-Y169 HydrophobicContact CB-CE2 3.77Å; C167-E235 WeakPolarHBondContact O-CA 3.32Å; C167-F236 HydrophobicContact CB-CB 4.19Å; C167-F236 HydrophobicContact CB-CD1 4.48Å; C167-F236 PolarHBondContact N-O 3Å; C167-F236 PolarHBondContact O-N 2.88Å |
| 168 | I | 95.9 | Very high | 93 | Very high | 16 Ų | 16 | 35.5 Ų | 35.5 | 8% | 0.082 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 131.1 | 179.4 | -65.6 | 168.3 | 0 | 0 | 0 | 108 | C138 H139 Y140 Q170 Y233 L234 | C138-I168 PolarHBondContact O-N 2.85Å; C138-I168 VanDerWaalsContact O-N 3.09Å; H139-I168 CarbonylContact C-O 3.54Å; H139-I168 VanDerWaalsContact CA-O 3.29Å; H139-I168 WeakPolarHBondContact CA-O 3.4Å; H139-I168 HydrophobicContact CB-CB 4.38Å; H139-I168 PolarHBondContact CD2-N 3.06Å; Y140-I168 PolarHBondContact N-O 3.24Å; I168-Q170 HydrophobicContact CG2-CG 3.86Å; I168-Y233 WeakPolarHBondContact CD1-OH 3.27Å; I168-Y233 HydrophobicContact CG2-CD2 4.27Å; I168-Y233 HydrophobicContact CG2-CE1 4.34Å; I168-Y233 HydrophobicContact CG2-CE2 3.43Å; I168-Y233 VanDerWaalsContact CG2-CE2 3.43Å; I168-Y233 VanDerWaalsContact CG2-CZ 3.48Å; I168-Y233 WeakPolarHBondContact CG2-OH 3.42Å; I168-L234 CarbonylContact C-O 3.56Å; I168-L234 WeakPolarHBondContact CA-O 3.3Å |
| 169 | Y | 96.3 | Very high | 93.1 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 108 | 171.6 | -47.3 | -95.6 | 0 | 0 | 0 | 108.5 | I129 Y140 I152 L153 C167 L234 F249 | I129-Y169 HydrophobicContact CG2-CD1 4.17Å; I129-Y169 HydrophobicContact CG2-CE1 4.42Å; Y140-Y169 AromaticContact CD2-CD1 3.74Å; Y140-Y169 HydrophobicContact CD2-CD1 3.74Å; Y140-Y169 AromaticContact CD2-CE1 3.51Å; Y140-Y169 HydrophobicContact CD2-CE1 3.51Å; Y140-Y169 HydrophobicContact CE2-CE1 4.07Å; Y140-Y169 HydrophobicContact CG-CD1 4.35Å; Y140-Y169 HydrophobicContact CG-CE1 4.49Å; Y140-Y169 WeakPolarHBondContact O-CA 3.41Å; I152-Y169 HydrophobicContact CD1-CG 4.5Å; I152-Y169 HydrophobicContact CG2-CD1 3.53Å; I152-Y169 HydrophobicContact CG2-CD2 4.12Å; I152-Y169 HydrophobicContact CG2-CE1 3.43Å; I152-Y169 VanDerWaalsContact CG2-CE1 3.43Å; I152-Y169 HydrophobicContact CG2-CE2 4.06Å; I152-Y169 HydrophobicContact CG2-CG 3.87Å; L153-Y169 PolarHBondContact O-OH 2.65Å; C167-Y169 HydrophobicContact CB-CE2 3.77Å; Y169-L234 HydrophobicContact CD2-CB 4.18Å; Y169-L234 PolarHBondContact N-O 3Å; Y169-L234 PolarHBondContact O-N 3.48Å; Y169-F249 HydrophobicContact CE2-CE2 4.49Å; Y169-F249 HydrophobicContact CE2-CZ 4.17Å |
| 170 | Q | 96.5 | Very high | 93.5 | Very high | 45 Ų | 45 | 36.5 Ų | 36.5 | 21% | 0.21 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 116.3 | 175.8 | -57.6 | -169.1 | -75.8 | 0 | 0 | 108.5 | L133 Y140 L141 I142 I168 D206 Y233 | L133-Q170 VanDerWaalsContact CD1-OE1 3.32Å; Y140-Q170 PolarHBondContact O-N 2.66Å; L141-Q170 HydrophobicContact CD1-CB 3.59Å; I142-Q170 PolarHBondContact N-O 2.87Å; I168-Q170 HydrophobicContact CG2-CG 3.86Å; Q170-D206 PolarHBondContact NE2-O 3Å; Q170-Y233 HydrophobicContact CG-CD2 3.66Å; Q170-Y233 HydrophobicContact CG-CE2 3.71Å |
| 171 | I | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 106.3 | -176.3 | -50.8 | 179.7 | 0 | 0 | 0 | 107.2 | I142 I152 I179 L181 N231 L232 L234 F255 | I142-I171 HydrophobicContact CD1-CG1 4.36Å; I152-I171 HydrophobicContact CD1-CD1 3.66Å; I152-I171 HydrophobicContact CD1-CG1 4.36Å; I171-I179 HydrophobicContact CB-CD1 4.08Å; I171-I179 HydrophobicContact CG2-CD1 3.6Å; I171-I179 HydrophobicContact CG2-CG1 4.15Å; I171-I179 HydrophobicContact CG2-CG2 4.21Å; I171-L181 HydrophobicContact CD1-CD2 4.03Å; I171-N231 VanDerWaalsContact O-CA 3.31Å; I171-N231 WeakPolarHBondContact O-CA 3.2Å; I171-L232 HydrophobicContact CB-CB 4.27Å; I171-L232 HydrophobicContact CD1-CB 4.43Å; I171-L232 PolarHBondContact N-O 2.72Å; I171-L232 PolarHBondContact O-N 3.22Å; I171-L234 HydrophobicContact CD1-CD1 3.99Å; I171-L234 HydrophobicContact CD1-CD2 4.47Å; I171-F255 HydrophobicContact CB-CZ 4.47Å; I171-F255 HydrophobicContact CG2-CE1 3.66Å; I171-F255 HydrophobicContact CG2-CE2 3.92Å; I171-F255 HydrophobicContact CG2-CZ 3.16Å |
| 172 | I | 97.6 | Very high | 94.3 | Very high | 32 Ų | 32 | 36.3 Ų | 36.3 | 16% | 0.164 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 114.3 | -171.1 | -53.7 | -57.9 | 0 | 0 | 0 | 110.4 | L141 I142 Y143 S144 D206 N231 | L141-I172 HydrophobicContact CD1-CG1 3.6Å; I142-I172 PolarHBondContact O-N 3.43Å; Y143-I172 WeakPolarHBondContact CA-O 3.37Å; Y143-I172 HydrophobicContact CD1-CB 3.82Å; Y143-I172 HydrophobicContact CD1-CG2 3.88Å; Y143-I172 HydrophobicContact CE1-CB 3.92Å; Y143-I172 HydrophobicContact CE1-CG1 4.37Å; Y143-I172 HydrophobicContact CE1-CG2 3.76Å; S144-I172 PolarHBondContact N-O 2.84Å; I172-D206 HydrophobicContact CD1-CB 3.98Å; I172-N231 VanDerWaalsContact CA-OD1 3.31Å; I172-N231 WeakPolarHBondContact CA-OD1 3.05Å; I172-N231 HydrophobicContact CD1-CB 4.25Å |
| 173 | G | 97.1 | Very high | 94.7 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 8% | 0.082 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -97.5 | 171.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E230 N231 F255 | G173-E230 WeakPolarHBondContact CA-O 3.18Å; G173-E230 PolarHBondContact N-O 2.81Å; G173-N231 PolarHBondContact N-OD1 2.93Å; G173-F255 VanDerWaalsContact CA-CE1 3.43Å |
| 174 | E | 96.9 | Very high | 95 | Very high | 81 Ų | 81 | 37.9 Ų | 37.9 | 38% | 0.379 | 21% | 0.205 | S | C | . | . | P | Polyproline II helix | trans | -86.6 | 153.4 | 170.1 | -64.4 | -65 | 153.6 | 0 | 0 | 110.9 | G176 E177 E230 | E174-G176 PolarHBondContact O-N 2.8Å; E174-E177 HydrophobicContact CB-CG 4.32Å; E174-E177 PolarHBondContact N-OE2 2.53Å; E174-E177 VanDerWaalsContact O-CB 3.26Å; E174-E177 WeakPolarHBondContact O-CB 3.38Å; E174-E177 WeakPolarHBondContact O-CG 3.47Å; E174-E177 PolarHBondContact O-N 3.21Å; E174-E230 WeakPolarHBondContact O-CB 2.92Å |
| 175 | P | 94.3 | Very high | 95.4 | Very high | 93 Ų | 93 | 33.2 Ų | 33.2 | 60% | 0.604 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 130.7 | 177.1 | -28.2 | 35.2 | 0 | 0 | 0 | 113.2 | E177 | P175-E177 VanDerWaalsContact C-N 3.33Š|
| 176 | G | 92.4 | Very high | 95.8 | Very high | 59 Ų | 59 | 32.1 Ų | 32.1 | 61% | 0.608 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | -4.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | E174 | E174-G176 PolarHBondContact O-N 2.8Š|
| 177 | E | 95.4 | Very high | 95.8 | Very high | 27 Ų | 27 | 29.2 Ų | 29.2 | 13% | 0.126 | 16% | 0.161 | C | C | . | . | trans | -85.4 | 147.6 | 167.3 | -62.4 | -178.5 | 158.3 | 0 | 0 | 110.6 | S144 E174 P175 K229 E230 R257 | S144-E177 WeakPolarHBondContact CB-OE2 3.38Å; S144-E177 PolarHBondContact OG-OE2 3.29Å; E174-E177 HydrophobicContact CB-CG 4.32Å; E174-E177 PolarHBondContact N-OE2 2.53Å; E174-E177 VanDerWaalsContact O-CB 3.26Å; E174-E177 WeakPolarHBondContact O-CB 3.38Å; E174-E177 WeakPolarHBondContact O-CG 3.47Å; E174-E177 PolarHBondContact O-N 3.21Å; P175-E177 VanDerWaalsContact C-N 3.33Å; E177-K229 CarbonylContact O-C 3.54Å; E177-E230 VanDerWaalsContact O-CA 3.22Å; E177-E230 WeakPolarHBondContact O-CA 3.05Å; E177-E230 PolarHBondContact O-N 3.08Å; E177-R257 HydrophobicContact CG-CG 3.63Å; E177-R257 IonicContact OE1-NE 3.5Å | ||
| 178 | R | 95.4 | Very high | 95.8 | Very high | 12 Ų | 12 | 29.2 Ų | 29.2 | 5% | 0.045 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 160.6 | 162.5 | -66.7 | 175.5 | 67.8 | -161.3 | 1.1 | 109.1 | S227 F255 S256 F259 V260 I262 T278 E279 | R178-S227 PolarHBondContact NE-O 3.1Å; R178-S227 PolarHBondContact NH2-O 2.63Å; R178-F255 WeakPolarHBondContact O-CA 3.39Å; R178-S256 PolarHBondContact N-O 2.91Å; R178-S256 PolarHBondContact O-N 2.79Å; R178-F259 HydrophobicContact CB-CB 4.14Å; R178-F259 HydrophobicContact CB-CD2 3.95Å; R178-F259 WeakPolarHBondContact O-CD2 2.95Å; R178-V260 WeakPolarHBondContact CD-O 3.31Å; R178-V260 PolarHBondContact NH1-O 2.82Å; R178-I262 VanDerWaalsContact NH1-CD1 3.31Å; R178-T278 PolarHBondContact NH2-O 3.48Å; R178-E279 PolarHBondContact NH1-O 3.45Å; R178-E279 PolarHBondContact NH2-O 3.1Å |
| 179 | I | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128.1 | -178.1 | -58 | 155.9 | 0 | 0 | 0 | 108.2 | I171 L181 Y226 S227 E230 L232 F253 K254 F255 | I171-I179 HydrophobicContact CB-CD1 4.08Å; I171-I179 HydrophobicContact CG2-CD1 3.6Å; I171-I179 HydrophobicContact CG2-CG1 4.15Å; I171-I179 HydrophobicContact CG2-CG2 4.21Å; I179-L181 HydrophobicContact CG2-CD2 4.04Å; I179-Y226 VanDerWaalsContact O-CA 3.29Å; I179-Y226 WeakPolarHBondContact O-CA 3.39Å; I179-S227 PolarHBondContact N-OG 2.9Å; I179-S227 PolarHBondContact O-N 3.14Å; I179-E230 WeakPolarHBondContact CD1-O 3.15Å; I179-L232 HydrophobicContact CB-CD1 3.8Å; I179-L232 HydrophobicContact CB-CG 4.24Å; I179-L232 HydrophobicContact CD1-CB 4Å; I179-L232 HydrophobicContact CD1-CD1 4.19Å; I179-L232 HydrophobicContact CD1-CG 3.78Å; I179-L232 HydrophobicContact CG2-CD1 3.66Å; I179-L232 HydrophobicContact CG2-CG 4.48Å; I179-F253 HydrophobicContact CG2-CB 4.37Å; I179-K254 WeakPolarHBondContact CA-O 3.35Å; I179-F255 HydrophobicContact CD1-CD1 4.27Å; I179-F255 HydrophobicContact CD1-CE1 3.75Å; I179-F255 HydrophobicContact CG1-CD1 3.5Å; I179-F255 HydrophobicContact CG1-CE1 3.48Å; I179-F255 VanDerWaalsContact CG1-CE1 3.48Å; I179-F255 HydrophobicContact CG1-CG 4.44Å; I179-F255 HydrophobicContact CG1-CZ 4.41Å |
| 180 | R | 96.9 | Very high | 95.3 | Very high | 62 Ų | 62 | 36.7 Ų | 36.7 | 23% | 0.234 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 129.4 | 165.2 | -176.2 | -178.5 | 79.7 | 175.8 | 14.9 | 109.2 | E182 L225 Y226 F253 K254 F259 | R180-E182 IonicContact CZ-OE2 3.4Å; R180-E182 IonicContact NE-OE2 3.87Å; R180-E182 IonicContact NH2-OE2 2.94Å; R180-E182 PolarHBondContact NH2-OE2 3.43Å; R180-L225 CarbonylContact C-O 3.58Å; R180-L225 WeakPolarHBondContact CA-O 3.33Å; R180-Y226 HydrophobicContact CB-CD1 3.88Å; R180-Y226 HydrophobicContact CB-CE1 3.63Å; R180-Y226 WeakPolarHBondContact CD-OH 3.37Å; R180-Y226 HydrophobicContact CG-CD1 4.03Å; R180-Y226 HydrophobicContact CG-CE1 3.49Å; R180-Y226 VanDerWaalsContact CG-CE1 3.49Å; R180-Y226 HydrophobicContact CG-CE2 4.21Å; R180-F253 CarbonylContact O-C 3.53Å; R180-F253 WeakPolarHBondContact O-CA 3.45Å; R180-K254 PolarHBondContact N-O 2.81Å; R180-K254 PolarHBondContact O-N 2.84Å; R180-F259 HydrophobicContact CB-CE1 4.3Å; R180-F259 HydrophobicContact CB-CE2 3.72Å; R180-F259 HydrophobicContact CB-CZ 3.49Å; R180-F259 VanDerWaalsContact CB-CZ 3.49Å; R180-F259 HydrophobicContact CG-CZ 4.46Å |
| 181 | L | 97.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 132.4 | 166.7 | -57.2 | -177.6 | 0 | 0 | 0 | 109.3 | I171 I179 F183 I202 Q224 L225 L232 L234 I251 R252 F253 | I171-L181 HydrophobicContact CD1-CD2 4.03Å; I179-L181 HydrophobicContact CG2-CD2 4.04Å; L181-F183 HydrophobicContact CB-CE2 3.92Å; L181-I202 HydrophobicContact CD1-CD1 4.24Å; L181-I202 HydrophobicContact CD1-CG1 4.47Å; L181-I202 HydrophobicContact CD1-CG2 4.12Å; L181-Q224 CarbonylContact O-C 3.56Å; L181-Q224 VanDerWaalsContact O-CA 3.28Å; L181-Q224 WeakPolarHBondContact O-CA 3.31Å; L181-L225 HydrophobicContact CB-CB 4.36Å; L181-L225 PolarHBondContact N-O 2.88Å; L181-L225 PolarHBondContact O-N 2.76Å; L181-L232 HydrophobicContact CD1-CD1 3.78Å; L181-L232 HydrophobicContact CD2-CD1 4.12Å; L181-L232 HydrophobicContact CG-CD1 3.77Å; L181-L234 HydrophobicContact CD1-CD1 4.2Å; L181-L234 HydrophobicContact CD1-CD2 4.23Å; L181-I251 HydrophobicContact CB-CG2 4Å; L181-I251 HydrophobicContact CD2-CG2 4.15Å; L181-R252 CarbonylContact C-O 3.59Å; L181-R252 WeakPolarHBondContact CA-O 3.26Å; L181-F253 HydrophobicContact CD2-CB 3.67Å |
| 182 | E | 96 | Very high | 94.3 | Very high | 53 Ų | 53 | 36.4 Ų | 36.4 | 25% | 0.248 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 112.9 | 179.9 | 178.3 | 167.6 | -158.2 | 0 | 0 | 108.7 | R180 E184 Q224 I251 R252 | R180-E182 IonicContact CZ-OE2 3.4Å; R180-E182 IonicContact NE-OE2 3.87Å; R180-E182 IonicContact NH2-OE2 2.94Å; R180-E182 PolarHBondContact NH2-OE2 3.43Å; E182-E184 PolarHBondContact O-N 3.15Å; E182-Q224 HydrophobicContact CB-CG 4.48Å; E182-Q224 HydrophobicContact CG-CG 4.33Å; E182-Q224 PolarHBondContact OE1-NE2 3.35Å; E182-I251 CarbonylContact O-C 3.45Å; E182-I251 WeakPolarHBondContact O-CA 3.4Å; E182-R252 HydrophobicContact CB-CB 4.34Å; E182-R252 PolarHBondContact N-O 3.33Å; E182-R252 PolarHBondContact O-N 3.21Å |
| 183 | F | 96.2 | Very high | 93.9 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 99.7 | -175.6 | -69.2 | -103.6 | 0 | 0 | 0 | 109.1 | L181 F186 L200 I202 L216 L223 L225 I251 | L181-F183 HydrophobicContact CB-CE2 3.92Å; F183-F186 HydrophobicContact CD1-CB 4.19Å; F183-F186 AromaticContact CD1-CD2 3.63Å; F183-F186 HydrophobicContact CD1-CD2 3.63Å; F183-F186 HydrophobicContact CD1-CE2 4.41Å; F183-F186 HydrophobicContact CD1-CG 4.16Å; F183-F186 AromaticContact CE1-CD2 3.83Å; F183-F186 HydrophobicContact CE1-CD2 3.83Å; F183-F186 HydrophobicContact CE1-CE2 4.17Å; F183-L200 HydrophobicContact CE1-CD2 3.78Å; F183-L200 HydrophobicContact CZ-CD2 4.24Å; F183-I202 HydrophobicContact CE2-CD1 4.4Å; F183-I202 HydrophobicContact CZ-CD1 3.71Å; F183-L216 HydrophobicContact CD1-CD1 4.31Å; F183-L216 HydrophobicContact CE1-CD1 3.52Å; F183-L216 HydrophobicContact CE2-CD1 4.29Å; F183-L216 HydrophobicContact CZ-CD1 3.53Å; F183-L223 HydrophobicContact CB-CB 4.08Å; F183-L223 WeakPolarHBondContact CB-O 3.15Å; F183-L223 HydrophobicContact CD2-CB 4.08Å; F183-L223 HydrophobicContact CD2-CD2 3.97Å; F183-L223 HydrophobicContact CD2-CG 3.92Å; F183-L223 WeakPolarHBondContact CD2-O 3.3Å; F183-L223 HydrophobicContact CE2-CD2 4.14Å; F183-L223 HydrophobicContact CE2-CG 4.37Å; F183-L223 HydrophobicContact CG-CB 4.19Å; F183-L223 HydrophobicContact CG-CD2 4.24Å; F183-L223 HydrophobicContact CG-CG 4.4Å; F183-L223 PolarHBondContact N-O 3.14Å; F183-L225 HydrophobicContact CE2-CB 4.48Å; F183-L225 HydrophobicContact CE2-CD1 3.85Å; F183-L225 HydrophobicContact CE2-CG 4.18Å; F183-L225 HydrophobicContact CZ-CD1 4.2Å; F183-I251 HydrophobicContact CD1-CD1 3.98Å; F183-I251 HydrophobicContact CD1-CG1 3.72Å; F183-I251 HydrophobicContact CE1-CD1 3.41Å; F183-I251 VanDerWaalsContact CE1-CD1 3.41Å; F183-I251 HydrophobicContact CE1-CG1 3.68Å; F183-I251 HydrophobicContact CG-CG1 4.33Å; F183-I251 HydrophobicContact CZ-CD1 3.88Å; F183-I251 HydrophobicContact CZ-CG1 4.25Å; F183-I251 HydrophobicContact CZ-CG2 4.47Å |
| 184 | E | 94.5 | Very high | 93.7 | Very high | 78 Ų | 78 | 48.5 Ų | 48.5 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | -41.4 | -178.6 | -54.6 | -141.7 | 111.4 | 0 | 0 | 112.4 | E182 H250 R252 | E182-E184 PolarHBondContact O-N 3.15Å; E184-H250 PolarHBondContact N-O 3.49Å; E184-H250 IonicContact OE2-CE1 2.94Å; E184-H250 PolarHBondContact OE2-CE1 3.39Å; E184-H250 IonicContact OE2-ND1 2.89Å; E184-H250 PolarHBondContact OE2-ND1 3.34Å; E184-H250 IonicContact OE2-NE2 3.7Å; E184-R252 HydrophobicContact CG-CG 3.91Å; E184-R252 IonicContact OE1-CZ 3.23Å; E184-R252 IonicContact OE1-NE 3.66Å; E184-R252 PolarHBondContact OE1-NE 2.03Å; E184-R252 IonicContact OE1-NH2 3.58Å; E184-R252 PolarHBondContact OE1-NH2 3.48Å; E184-R252 IonicContact OE2-CZ 3.89Å; E184-R252 IonicContact OE2-NE 3.28Å; E184-R252 PolarHBondContact OE2-NE 3.03Å; E184-R252 VanDerWaalsContact OE2-NE 3.13Å; E184-R252 IonicContact OE2-NH1 2.91Å; E184-R252 IonicContact OE2-NH2 3.46Å; E184-R252 PolarHBondContact OE2-NH2 2.83Å |
| 185 | D | 94.5 | Very high | 93.5 | Very high | 28 Ų | 28 | 45 Ų | 45 | 15% | 0.15 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 135.1 | 171.2 | -168.6 | 14 | 0 | 0 | 0 | 107.8 | Y157 R247 F249 H250 | Y157-D185 HydrophobicContact CE2-CB 4.04Å; Y157-D185 WeakPolarHBondContact CE2-OD2 3.17Å; Y157-D185 WeakPolarHBondContact OH-CB 3.22Å; Y157-D185 PolarHBondContact OH-OD2 2.86Å; D185-R247 VanDerWaalsContact CG-NH2 3.29Å; D185-R247 IonicContact OD1-CZ 2.71Å; D185-R247 IonicContact OD1-NH2 4Å; D185-R247 PolarHBondContact OD1-NH2 3.14Å; D185-R247 IonicContact OD2-CZ 3Å; D185-R247 IonicContact OD2-NE 2.7Å; D185-R247 PolarHBondContact OD2-NE 3.21Å; D185-R247 IonicContact OD2-NH1 2.6Å; D185-R247 IonicContact OD2-NH2 3.97Å; D185-R247 PolarHBondContact OD2-NH2 2.8Å; D185-F249 CarbonylContact O-C 3.55Å; D185-F249 VanDerWaalsContact O-CA 3.29Å; D185-F249 WeakPolarHBondContact O-CA 3.3Å; D185-H250 PolarHBondContact N-O 2.77Å; D185-H250 PolarHBondContact O-N 2.71Å |
| 186 | F | 95.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 112.6 | 177.9 | -174.1 | -82.4 | 0 | 0 | 0 | 108.8 | F183 V188 L200 L216 G218 L219 Q220 F249 | F183-F186 HydrophobicContact CD1-CB 4.19Å; F183-F186 AromaticContact CD1-CD2 3.63Å; F183-F186 HydrophobicContact CD1-CD2 3.63Å; F183-F186 HydrophobicContact CD1-CE2 4.41Å; F183-F186 HydrophobicContact CD1-CG 4.16Å; F183-F186 AromaticContact CE1-CD2 3.83Å; F183-F186 HydrophobicContact CE1-CD2 3.83Å; F183-F186 HydrophobicContact CE1-CE2 4.17Å; F186-V188 HydrophobicContact CD1-CG2 4.49Å; F186-V188 HydrophobicContact CD2-CG2 4.49Å; F186-V188 HydrophobicContact CE1-CB 3.84Å; F186-V188 HydrophobicContact CE1-CG2 3.89Å; F186-V188 HydrophobicContact CE2-CG2 3.87Å; F186-V188 HydrophobicContact CZ-CB 3.84Å; F186-V188 HydrophobicContact CZ-CG2 3.54Å; F186-L200 HydrophobicContact CE2-CB 3.94Å; F186-L200 HydrophobicContact CE2-CD2 3.8Å; F186-L200 HydrophobicContact CZ-CB 4.2Å; F186-L216 HydrophobicContact CE1-CB 4.01Å; F186-L216 HydrophobicContact CE2-CB 4.1Å; F186-L216 HydrophobicContact CZ-CB 3.51Å; F186-G218 VanDerWaalsContact CD1-O 3.25Å; F186-G218 WeakPolarHBondContact CD1-O 3.23Å; F186-G218 WeakPolarHBondContact CE1-O 3.39Å; F186-L219 WeakPolarHBondContact O-CA 3.34Å; F186-Q220 HydrophobicContact CB-CB 4Å; F186-Q220 HydrophobicContact CD1-CB 3.79Å; F186-Q220 HydrophobicContact CD1-CG 3.39Å; F186-Q220 HydrophobicContact CE1-CG 3.79Å; F186-Q220 HydrophobicContact CG-CB 4.11Å; F186-Q220 HydrophobicContact CG-CG 4.12Å; F186-Q220 PolarHBondContact O-N 2.78Å; F186-Q220 VanDerWaalsContact O-N 3.15Å; F186-F249 HydrophobicContact CD2-CB 3.61Å; F186-F249 HydrophobicContact CD2-CG 4.36Å; F186-F249 HydrophobicContact CE2-CB 4.21Å; F186-F249 HydrophobicContact CE2-CD1 4.33Å; F186-F249 HydrophobicContact CG-CB 4.41Å |
| 187 | D | 93.7 | Very high | 93.2 | Very high | 11 Ų | 11 | 47.2 Ų | 47.2 | 6% | 0.059 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 91.3 | -178.8 | 178.2 | 27.8 | 0 | 0 | 0 | 107.4 | L219 H246 R247 G248 | D187-L219 HydrophobicContact CB-CD2 3.79Å; D187-L219 WeakPolarHBondContact OD1-CD2 3.38Å; D187-H246 WeakPolarHBondContact O-CB 3.11Å; D187-H246 IonicContact OD1-CE1 3.72Å; D187-H246 IonicContact OD1-CG 3.05Å; D187-H246 IonicContact OD1-ND1 3.54Å; D187-H246 PolarHBondContact OD1-ND1 3.14Å; D187-H246 WeakPolarHBondContact OD2-CA 3.44Å; D187-H246 IonicContact OD2-ND1 2.61Å; D187-R247 HydrophobicContact CB-CB 4.42Å; D187-R247 PolarHBondContact OD2-N 3.31Å; D187-R247 IonicContact OD2-NE 2.93Å; D187-G248 CarbonylContact C-O 3.53Å; D187-G248 PolarHBondContact N-O 2.85Å; D187-G248 VanDerWaalsContact O-CA 3.28Å; D187-G248 WeakPolarHBondContact O-CA 3.48Å; D187-G248 PolarHBondContact O-N 2.8Å; D187-G248 VanDerWaalsContact O-O 3.14Å |
| 188 | V | 93.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 147.8 | 176.8 | 174.9 | 0 | 0 | 0 | 0 | 108 | F186 F190 D198 G218 F236 F249 | F186-V188 HydrophobicContact CD1-CG2 4.49Å; F186-V188 HydrophobicContact CD2-CG2 4.49Å; F186-V188 HydrophobicContact CE1-CB 3.84Å; F186-V188 HydrophobicContact CE1-CG2 3.89Å; F186-V188 HydrophobicContact CE2-CG2 3.87Å; F186-V188 HydrophobicContact CZ-CB 3.84Å; F186-V188 HydrophobicContact CZ-CG2 3.54Å; V188-F190 PolarHBondContact O-N 2.83Å; V188-F190 VanDerWaalsContact O-N 3.11Å; V188-D198 HydrophobicContact CG1-CB 3.65Å; V188-G218 PolarHBondContact N-O 3.02Å; V188-G218 CarbonylContact O-C 3.48Å; V188-G218 WeakPolarHBondContact O-CA 3.05Å; V188-G218 PolarHBondContact O-N 2.84Å; V188-F236 HydrophobicContact CG1-CE2 4.12Å; V188-F236 HydrophobicContact CG2-CE2 4.05Å; V188-F249 HydrophobicContact CG2-CD1 4.24Å |
| 189 | Y | 92.3 | Very high | 93.1 | Very high | 67 Ų | 67 | 46 Ų | 46 | 26% | 0.263 | 23% | 0.228 | S | C | . | . | trans | -55.9 | 119.8 | -178.6 | -179.8 | -124 | 0 | 0 | 0 | 112.6 | Y161 Y197 C217 V242 H246 | Y161-Y189 PolarHBondContact OH-N 3.42Å; Y189-Y197 HydrophobicContact CD1-CD2 4.4Å; Y189-Y197 HydrophobicContact CD1-CG 4.39Å; Y189-Y197 AromaticContact CE1-CD2 3.84Å; Y189-Y197 HydrophobicContact CE1-CD2 3.84Å; Y189-Y197 HydrophobicContact CE1-CE2 4.42Å; Y189-Y197 HydrophobicContact CE1-CG 4.07Å; Y189-C217 WeakPolarHBondContact O-CB 3.09Å; Y189-V242 HydrophobicContact CD1-CB 4.25Å; Y189-V242 HydrophobicContact CD1-CG1 4.04Å; Y189-V242 HydrophobicContact CD1-CG2 3.73Å; Y189-V242 HydrophobicContact CD2-CG1 3.76Å; Y189-V242 HydrophobicContact CE1-CB 4.24Å; Y189-V242 HydrophobicContact CE1-CG1 3.79Å; Y189-V242 HydrophobicContact CE1-CG2 3.56Å; Y189-V242 HydrophobicContact CE2-CG1 3.5Å; Y189-V242 VanDerWaalsContact CE2-CG1 3.5Å; Y189-V242 HydrophobicContact CG-CB 4.43Å; Y189-V242 HydrophobicContact CG-CG1 4.01Å; Y189-V242 HydrophobicContact CG-CG2 4.39Å; Y189-V242 VanDerWaalsContact CZ-CG1 3.49Å; Y189-H246 VanDerWaalsContact CA-CD2 3.48Å; Y189-H246 WeakPolarHBondContact CA-CD2 3.34Å; Y189-H246 VanDerWaalsContact CA-NE2 3.32Å; Y189-H246 WeakPolarHBondContact CA-NE2 3.14Å; Y189-H246 AromaticContact CD2-NE2 3.41Å; Y189-H246 WeakPolarHBondContact CD2-NE2 3.24Å; Y189-H246 AromaticContact CG-NE2 3.96Å | ||
| 190 | F | 89.6 | Confident | 93.1 | Very high | 109 Ų | 109 | 46 Ų | 46 | 48% | 0.478 | 23% | 0.228 | S | C | . | . | trans | -60.6 | -50.9 | -178.2 | 176.5 | -112.9 | 0 | 0 | 0 | 111.5 | V188 G192 C217 | V188-F190 PolarHBondContact O-N 2.83Å; V188-F190 VanDerWaalsContact O-N 3.11Å; F190-G192 PolarHBondContact O-N 3.21Å; F190-C217 PolarHBondContact O-SG 3.2Å | ||
| 191 | G | 84.5 | Confident | 93.2 | Very high | 18 Ų | 18 | 43.5 Ų | 43.5 | 19% | 0.186 | 22% | 0.22 | C | C | . | . | trans | 63.4 | -6.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | P196 Y197 | G191-P196 WeakPolarHBondContact O-CG 3.05Å; G191-Y197 WeakPolarHBondContact O-CD2 3.31Å; G191-Y197 WeakPolarHBondContact O-CE2 3.39Å | ||
| 192 | G | 88.2 | Confident | 93.2 | Very high | 22 Ų | 22 | 43.5 Ų | 43.5 | 23% | 0.227 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 122.5 | 173.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F190 C195 | F190-G192 PolarHBondContact O-N 3.21Å; G192-C195 PolarHBondContact O-N 3.42Å |
| 193 | D | 90.7 | Very high | 93.3 | Very high | 128 Ų | 128 | 42.2 Ų | 42.2 | 68% | 0.684 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | 141.4 | 178.3 | -61.1 | -33.9 | 0 | 0 | 0 | 110.8 | C195 | D193-C195 PolarHBondContact O-N 3.38Š|
| 194 | H | 92 | Very high | 93.3 | Very high | 166 Ų | 166 | 43 Ų | 43 | 77% | 0.769 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 12.6 | -176.1 | -46.8 | -69.1 | 0 | 0 | 0 | 116.2 | K215 | H194-K215 PolarHBondContact O-NZ 2.77Š|
| 195 | C | 92.8 | Very high | 93.4 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 5% | 0.047 | 21% | 0.206 | C | C | . | . | trans | 54.4 | 64.6 | 171.3 | -47.8 | 0 | 0 | 0 | 0 | 112.8 | G192 D193 Y197 K215 L216 C217 | G192-C195 PolarHBondContact O-N 3.42Å; D193-C195 PolarHBondContact O-N 3.38Å; C195-Y197 VanDerWaalsContact C-N 3.28Å; C195-Y197 PolarHBondContact O-N 2.83Å; C195-K215 HydrophobicContact CB-CD 4.44Å; C195-K215 HydrophobicContact CB-CG 4.3Å; C195-K215 VanDerWaalsContact O-CE 3.31Å; C195-K215 WeakPolarHBondContact O-CE 3.31Å; C195-K215 PolarHBondContact O-NZ 3.48Å; C195-L216 VanDerWaalsContact SG-C 3.53Å; C195-C217 WeakPolarHBondContact CA-SG 3.15Å; C195-C217 HydrophobicContact CB-CB 3.5Å; C195-C217 VanDerWaalsContact CB-CB 3.5Å; C195-C217 WeakPolarHBondContact CB-SG 3.36Å; C195-C217 WeakPolarHBondContact SG-CB 3.04Å; C195-C217 PolarHBondContact SG-N 2.82Å; C195-C217 CovalentContact SG-SG 2.02Å; C195-C217 PolarHBondContact SG-SG 2.85Å | ||
| 196 | P | 90.6 | Very high | 93.4 | Very high | 81 Ų | 81 | 42.7 Ų | 42.7 | 53% | 0.526 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -73.4 | -17.1 | -173.1 | 27.9 | -33 | 0 | 0 | 0 | 114.2 | G191 | G191-P196 WeakPolarHBondContact O-CG 3.05Š|
| 197 | Y | 90.8 | Very high | 93.4 | Very high | 118 Ų | 118 | 44.3 Ų | 44.3 | 46% | 0.463 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -104.9 | -105.2 | 180 | -56.6 | -84.8 | 0 | 0 | 0 | 109.8 | Y189 G191 C195 | Y189-Y197 HydrophobicContact CD1-CD2 4.4Å; Y189-Y197 HydrophobicContact CD1-CG 4.39Å; Y189-Y197 AromaticContact CE1-CD2 3.84Å; Y189-Y197 HydrophobicContact CE1-CD2 3.84Å; Y189-Y197 HydrophobicContact CE1-CE2 4.42Å; Y189-Y197 HydrophobicContact CE1-CG 4.07Å; G191-Y197 WeakPolarHBondContact O-CD2 3.31Å; G191-Y197 WeakPolarHBondContact O-CE2 3.39Å; C195-Y197 VanDerWaalsContact C-N 3.28Å; C195-Y197 PolarHBondContact O-N 2.83Å |
| 198 | D | 93.3 | Very high | 93.5 | Very high | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -77.4 | 133.3 | 179.4 | -56.3 | -7.6 | 0 | 0 | 0 | 109.7 | Y161 V188 I237 T238 T239 | Y161-D198 VanDerWaalsContact CE2-OD2 3.25Å; Y161-D198 WeakPolarHBondContact CE2-OD2 3.49Å; Y161-D198 PolarHBondContact OH-OD2 2.91Å; V188-D198 HydrophobicContact CG1-CB 3.65Å; D198-I237 VanDerWaalsContact CA-O 3.28Å; D198-I237 WeakPolarHBondContact CA-O 3.41Å; D198-T238 WeakPolarHBondContact OD1-CA 3.4Å; D198-T239 PolarHBondContact OD1-N 3.37Å; D198-T239 PolarHBondContact OD1-OG1 3.36Å; D198-T239 VanDerWaalsContact OD1-OG1 3.07Å |
| 199 | S | 95 | Very high | 93.6 | Very high | 6 Ų | 6 | 59.5 Ų | 59.5 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 146.9 | 180 | 61.6 | 0 | 0 | 0 | 0 | 112.5 | K215 L216 F236 I237 | S199-K215 VanDerWaalsContact CB-CE 3.43Å; S199-K215 VanDerWaalsContact OG-CE 3.22Å; S199-K215 WeakPolarHBondContact OG-CE 3.24Å; S199-L216 WeakPolarHBondContact CA-O 3.28Å; S199-F236 WeakPolarHBondContact O-CA 3.27Å; S199-F236 WeakPolarHBondContact O-CD2 3.46Å; S199-I237 PolarHBondContact N-O 2.95Å; S199-I237 PolarHBondContact O-N 3.19Å |
| 200 | L | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 112 | 162.1 | 178.9 | 71 | 0 | 0 | 0 | 108.1 | F183 F186 I202 L216 L234 E235 F236 F249 I251 | F183-L200 HydrophobicContact CE1-CD2 3.78Å; F183-L200 HydrophobicContact CZ-CD2 4.24Å; F186-L200 HydrophobicContact CE2-CB 3.94Å; F186-L200 HydrophobicContact CE2-CD2 3.8Å; F186-L200 HydrophobicContact CZ-CB 4.2Å; L200-I202 HydrophobicContact CG-CG1 4.45Å; L200-L216 PolarHBondContact N-O 3.13Å; L200-L216 PolarHBondContact O-N 2.85Å; L200-L234 HydrophobicContact CD1-CB 4.29Å; L200-E235 WeakPolarHBondContact CA-O 3.39Å; L200-F236 HydrophobicContact CB-CD2 4.48Å; L200-F236 HydrophobicContact CD1-CB 3.97Å; L200-F249 HydrophobicContact CD1-CE1 4.33Å; L200-F249 HydrophobicContact CD1-CZ 4.27Å; L200-I251 HydrophobicContact CD2-CD1 3.48Å; L200-I251 VanDerWaalsContact CD2-CD1 3.48Å |
| 201 | T | 97.7 | Very high | 94.1 | Very high | 9 Ų | 9 | 55.1 Ų | 55.1 | 6% | 0.055 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 129.3 | 176.6 | -48.7 | 0 | 0 | 0 | 0 | 109.7 | Y203 T212 K215 L234 E235 | T201-Y203 HydrophobicContact CG2-CD1 4.44Å; T201-Y203 HydrophobicContact CG2-CD2 4.05Å; T201-Y203 HydrophobicContact CG2-CE1 3.85Å; T201-Y203 HydrophobicContact CG2-CE2 3.45Å; T201-Y203 VanDerWaalsContact CG2-CE2 3.45Å; T201-T212 HydrophobicContact CG2-CG2 3.79Å; T201-K215 HydrophobicContact CG2-CB 4.36Å; T201-K215 HydrophobicContact CG2-CG 4.49Å; T201-L234 CarbonylContact O-C 3.57Å; T201-L234 WeakPolarHBondContact O-CA 3.38Å; T201-E235 PolarHBondContact N-O 2.57Å; T201-E235 PolarHBondContact O-N 2.96Å |
| 202 | I | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 124.5 | -178.5 | -57 | 154.3 | 0 | 0 | 0 | 107.1 | L181 F183 L200 V213 H214 L216 L225 L232 L234 | L181-I202 HydrophobicContact CD1-CD1 4.24Å; L181-I202 HydrophobicContact CD1-CG1 4.47Å; L181-I202 HydrophobicContact CD1-CG2 4.12Å; F183-I202 HydrophobicContact CE2-CD1 4.4Å; F183-I202 HydrophobicContact CZ-CD1 3.71Å; L200-I202 HydrophobicContact CG-CG1 4.45Å; I202-V213 HydrophobicContact CB-CB 4.27Å; I202-V213 HydrophobicContact CG2-CB 3.97Å; I202-V213 HydrophobicContact CG2-CG1 4.49Å; I202-V213 HydrophobicContact CG2-CG2 4.19Å; I202-V213 PolarHBondContact O-N 3.28Å; I202-H214 PolarHBondContact N-O 2.91Å; I202-H214 PolarHBondContact O-N 3.33Å; I202-L216 HydrophobicContact CD1-CD1 3.78Å; I202-L225 HydrophobicContact CD1-CD1 3.33Å; I202-L232 HydrophobicContact CG2-CD2 4.17Å; I202-L234 HydrophobicContact CG1-CD1 4.41Å; I202-L234 HydrophobicContact CG1-CG 4.02Å; I202-L234 HydrophobicContact CG2-CD1 4Å |
| 203 | Y | 98.2 | Very high | 95 | Very high | 27 Ų | 27 | 57.4 Ų | 57.4 | 11% | 0.106 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 145 | 179.7 | -51.6 | -101.3 | 0 | 0 | 0 | 110 | T201 G205 A210 P211 L232 Y233 E235 | T201-Y203 HydrophobicContact CG2-CD1 4.44Å; T201-Y203 HydrophobicContact CG2-CD2 4.05Å; T201-Y203 HydrophobicContact CG2-CE1 3.85Å; T201-Y203 HydrophobicContact CG2-CE2 3.45Å; T201-Y203 VanDerWaalsContact CG2-CE2 3.45Å; Y203-G205 PolarHBondContact O-N 3.07Å; Y203-A210 WeakPolarHBondContact CD1-O 3.23Å; Y203-P211 CarbonylContact C-O 3.55Å; Y203-P211 WeakPolarHBondContact CA-O 3.11Å; Y203-L232 WeakPolarHBondContact O-CA 3.11Å; Y203-L232 WeakPolarHBondContact O-CD2 3.46Å; Y203-Y233 AromaticContact CD2-CD1 3.7Å; Y203-Y233 HydrophobicContact CD2-CD1 3.7Å; Y203-Y233 HydrophobicContact CD2-CE1 4.46Å; Y203-Y233 WeakPolarHBondContact CD2-O 2.93Å; Y203-Y233 HydrophobicContact CE2-CD1 4.14Å; Y203-Y233 HydrophobicContact CE2-CE1 4.48Å; Y203-Y233 HydrophobicContact CG-CD1 4.46Å; Y203-Y233 PolarHBondContact N-O 2.99Å; Y203-Y233 PolarHBondContact O-N 3.24Å; Y203-E235 HydrophobicContact CE2-CB 3.97Å; Y203-E235 PolarHBondContact OH-OE2 2.88Å |
| 204 | D | 96.2 | Very high | 95.2 | Very high | 19 Ų | 19 | 55.5 Ų | 55.5 | 10% | 0.102 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -91.3 | 67.7 | -172.9 | -155.3 | 3.8 | 0 | 0 | 0 | 111.4 | P211 V213 E228 | D204-P211 PolarHBondContact N-O 2.9Å; D204-V213 HydrophobicContact CB-CG2 3.58Å; D204-E228 PolarHBondContact OD1-N 2.9Å; D204-E228 WeakPolarHBondContact OD2-CB 3.32Å; D204-E228 PolarHBondContact OD2-N 2.87Å |
| 205 | G | 96.5 | Very high | 95.4 | Very high | 13 Ų | 13 | 51.7 Ų | 51.7 | 13% | 0.134 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 170 | -165.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y203 N231 L232 Y233 | Y203-G205 PolarHBondContact O-N 3.07Å; G205-N231 PolarHBondContact N-O 3.2Å; G205-N231 CarbonylContact O-C 3.5Å; G205-L232 CarbonylContact O-C 3.49Å; G205-L232 VanDerWaalsContact O-CA 3.31Å; G205-L232 WeakPolarHBondContact O-CA 3Å; G205-L232 PolarHBondContact O-N 2.94Å; G205-Y233 WeakPolarHBondContact O-CB 3.04Å; G205-Y233 PolarHBondContact O-N 3.12Å |
| 206 | D | 95.2 | Very high | 95.5 | Very high | 87 Ų | 87 | 51.4 Ų | 51.4 | 47% | 0.465 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -91.6 | -5.3 | -175.7 | 62.6 | -2.8 | 0 | 0 | 0 | 114.1 | Q170 I172 N231 Y233 | Q170-D206 PolarHBondContact NE2-O 3Å; I172-D206 HydrophobicContact CD1-CB 3.98Å; D206-N231 HydrophobicContact CB-CB 4.46Å; D206-Y233 WeakPolarHBondContact O-CD2 3.13Å |
| 207 | S | 95.7 | Very high | 95.7 | Very high | 35 Ų | 35 | 47.8 Ų | 47.8 | 25% | 0.245 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -151.5 | 165.4 | -173.3 | 66.7 | 0 | 0 | 0 | 0 | 112.7 | Y209 A210 | S207-Y209 PolarHBondContact O-N 3.01Å; S207-A210 VanDerWaalsContact O-CB 3.29Å; S207-A210 WeakPolarHBondContact O-CB 3.5Å; S207-A210 PolarHBondContact O-N 2.88Å; S207-A210 VanDerWaalsContact O-N 3.07Å |
| 208 | R | 94.9 | Very high | 95.8 | Very high | 121 Ų | 121 | 42.6 Ų | 42.6 | 46% | 0.457 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -10.3 | 176.3 | 75.2 | -178.6 | -51 | 161 | 22.4 | 115.5 | A210 Y233 E235 | R208-A210 VanDerWaalsContact C-N 3.32Å; R208-Y233 HydrophobicContact CB-CD1 4.45Å; R208-Y233 HydrophobicContact CB-CE1 3.98Å; R208-E235 IonicContact CZ-OE1 2.89Å; R208-E235 IonicContact NH2-OE1 4Å; R208-E235 PolarHBondContact NH2-OE1 2.82Å; R208-E235 VanDerWaalsContact NH2-OE1 3.1Å; R208-E235 IonicContact NH2-OE2 2.74Å; R208-E235 PolarHBondContact NH2-OE2 3.23Å |
| 209 | Y | 96.2 | Very high | 95.7 | Very high | 209 Ų | 209 | 48 Ų | 48 | 82% | 0.82 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -10.4 | 177.6 | -56.4 | -67.7 | 0 | 0 | 0 | 112.1 | S207 | S207-Y209 PolarHBondContact O-N 3.01Š|
| 210 | A | 96.3 | Very high | 95.4 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 14% | 0.14 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -70.5 | 158 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y203 S207 R208 | Y203-A210 WeakPolarHBondContact CD1-O 3.23Å; S207-A210 VanDerWaalsContact O-CB 3.29Å; S207-A210 WeakPolarHBondContact O-CB 3.5Å; S207-A210 PolarHBondContact O-N 2.88Å; S207-A210 VanDerWaalsContact O-N 3.07Å; R208-A210 VanDerWaalsContact C-N 3.32Å |
| 211 | P | 96.2 | Very high | 94.5 | Very high | 68 Ų | 68 | 59.1 Ų | 59.1 | 44% | 0.442 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 140.5 | 175.1 | -24 | 34.8 | 0 | 0 | 0 | 112.1 | Y203 D204 V213 | Y203-P211 CarbonylContact C-O 3.55Å; Y203-P211 WeakPolarHBondContact CA-O 3.11Å; D204-P211 PolarHBondContact N-O 2.9Å; P211-V213 PolarHBondContact O-N 2.78Å |
| 212 | T | 95.9 | Very high | 93.9 | Very high | 72 Ų | 72 | 64.3 Ų | 64.3 | 44% | 0.442 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 129.3 | 174.2 | -53.3 | 0 | 0 | 0 | 0 | 110.4 | T201 | T201-T212 HydrophobicContact CG2-CG2 3.79Å |
| 213 | V | 95.7 | Very high | 93.6 | Very high | 16 Ų | 16 | 66 Ų | 66 | 10% | 0.097 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | -54.5 | 167.8 | 177.1 | 0 | 0 | 0 | 0 | 109.6 | I202 D204 P211 L225 L232 | I202-V213 HydrophobicContact CB-CB 4.27Å; I202-V213 HydrophobicContact CG2-CB 3.97Å; I202-V213 HydrophobicContact CG2-CG1 4.49Å; I202-V213 HydrophobicContact CG2-CG2 4.19Å; I202-V213 PolarHBondContact O-N 3.28Å; D204-V213 HydrophobicContact CB-CG2 3.58Å; P211-V213 PolarHBondContact O-N 2.78Å; V213-L225 HydrophobicContact CG1-CD2 4.44Å; V213-L232 HydrophobicContact CG2-CD2 4.26Å |
| 214 | H | 94.9 | Very high | 93.4 | Very high | 87 Ų | 87 | 68.8 Ų | 68.8 | 40% | 0.403 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 152.4 | -178 | -143.3 | 103 | 0 | 0 | 0 | 111.1 | I202 L216 L225 | I202-H214 PolarHBondContact N-O 2.91Å; I202-H214 PolarHBondContact O-N 3.33Å; H214-L216 HydrophobicContact CB-CG 4.45Å; H214-L216 WeakPolarHBondContact CD2-CD2 3.42Å; H214-L225 HydrophobicContact CB-CD1 3.96Å |
| 215 | K | 96.1 | Very high | 93.4 | Very high | 86 Ų | 86 | 68.4 Ų | 68.4 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 115.6 | 168.7 | -174.9 | 177.1 | -176.4 | -156.6 | 0 | 109.2 | H194 C195 S199 T201 | H194-K215 PolarHBondContact O-NZ 2.77Å; C195-K215 HydrophobicContact CB-CD 4.44Å; C195-K215 HydrophobicContact CB-CG 4.3Å; C195-K215 VanDerWaalsContact O-CE 3.31Å; C195-K215 WeakPolarHBondContact O-CE 3.31Å; C195-K215 PolarHBondContact O-NZ 3.48Å; S199-K215 VanDerWaalsContact CB-CE 3.43Å; S199-K215 VanDerWaalsContact OG-CE 3.22Å; S199-K215 WeakPolarHBondContact OG-CE 3.24Å; T201-K215 HydrophobicContact CG2-CB 4.36Å; T201-K215 HydrophobicContact CG2-CG 4.49Å |
| 216 | L | 95.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 141.3 | -167.9 | -63.5 | 166.3 | 0 | 0 | 0 | 112 | F183 F186 C195 S199 L200 I202 H214 Q220 L223 L225 | F183-L216 HydrophobicContact CD1-CD1 4.31Å; F183-L216 HydrophobicContact CE1-CD1 3.52Å; F183-L216 HydrophobicContact CE2-CD1 4.29Å; F183-L216 HydrophobicContact CZ-CD1 3.53Å; F186-L216 HydrophobicContact CE1-CB 4.01Å; F186-L216 HydrophobicContact CE2-CB 4.1Å; F186-L216 HydrophobicContact CZ-CB 3.51Å; C195-L216 VanDerWaalsContact SG-C 3.53Å; S199-L216 WeakPolarHBondContact CA-O 3.28Å; L200-L216 PolarHBondContact N-O 3.13Å; L200-L216 PolarHBondContact O-N 2.85Å; I202-L216 HydrophobicContact CD1-CD1 3.78Å; H214-L216 HydrophobicContact CB-CG 4.45Å; H214-L216 WeakPolarHBondContact CD2-CD2 3.42Å; L216-Q220 HydrophobicContact CD2-CG 4.26Å; L216-L223 HydrophobicContact CD1-CD2 3.6Å; L216-L223 HydrophobicContact CD2-CD2 3.52Å; L216-L223 HydrophobicContact CG-CD2 4.22Å; L216-L225 HydrophobicContact CD1-CD1 4.23Å |
| 217 | C | 94.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 64.2 Ų | 64.2 | 3% | 0.027 | 33% | 0.325 | C | S | . | . | trans | -157.1 | 173.5 | 168.9 | 58.4 | 0 | 0 | 0 | 0 | 109 | Y189 F190 C195 Q220 | Y189-C217 WeakPolarHBondContact O-CB 3.09Å; F190-C217 PolarHBondContact O-SG 3.2Å; C195-C217 WeakPolarHBondContact CA-SG 3.15Å; C195-C217 HydrophobicContact CB-CB 3.5Å; C195-C217 VanDerWaalsContact CB-CB 3.5Å; C195-C217 WeakPolarHBondContact CB-SG 3.36Å; C195-C217 WeakPolarHBondContact SG-CB 3.04Å; C195-C217 PolarHBondContact SG-N 2.82Å; C195-C217 CovalentContact SG-SG 2.02Å; C195-C217 PolarHBondContact SG-SG 2.85Å; C217-Q220 PolarHBondContact O-NE2 3.49Å | ||
| 218 | G | 92.7 | Very high | 93.4 | Very high | 9 Ų | 9 | 65 Ų | 65 | 9% | 0.093 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 77 | -163.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F186 V188 | F186-G218 VanDerWaalsContact CD1-O 3.25Å; F186-G218 WeakPolarHBondContact CD1-O 3.23Å; F186-G218 WeakPolarHBondContact CE1-O 3.39Å; V188-G218 PolarHBondContact N-O 3.02Å; V188-G218 CarbonylContact O-C 3.48Å; V188-G218 WeakPolarHBondContact O-CA 3.05Å; V188-G218 PolarHBondContact O-N 2.84Å |
| 219 | L | 92.1 | Very high | 93.3 | Very high | 120 Ų | 120 | 65 Ų | 65 | 63% | 0.628 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 123.5 | 172.1 | -68.1 | 170.7 | 0 | 0 | 0 | 109 | F186 D187 | F186-L219 WeakPolarHBondContact O-CA 3.34Å; D187-L219 HydrophobicContact CB-CD2 3.79Å; D187-L219 WeakPolarHBondContact OD1-CD2 3.38Å |
| 220 | Q | 87.5 | Confident | 93.3 | Very high | 64 Ų | 64 | 57.8 Ų | 57.8 | 30% | 0.299 | 30% | 0.302 | S | S | . | . | trans | -116.2 | 132.9 | 173.8 | -55.7 | -67.2 | -34.6 | 0 | 0 | 108.8 | F186 L216 C217 | F186-Q220 HydrophobicContact CB-CB 4Å; F186-Q220 HydrophobicContact CD1-CB 3.79Å; F186-Q220 HydrophobicContact CD1-CG 3.39Å; F186-Q220 HydrophobicContact CE1-CG 3.79Å; F186-Q220 HydrophobicContact CG-CB 4.11Å; F186-Q220 HydrophobicContact CG-CG 4.12Å; F186-Q220 PolarHBondContact O-N 2.78Å; F186-Q220 VanDerWaalsContact O-N 3.15Å; L216-Q220 HydrophobicContact CD2-CG 4.26Å; C217-Q220 PolarHBondContact O-NE2 3.49Å | ||
| 221 | Q | 79.9 | Confident | 93.4 | Very high | 176 Ų | 176 | 58.2 Ų | 58.2 | 82% | 0.822 | 30% | 0.301 | S | S | * | . | trans | -116.6 | 129.5 | 179.1 | -68.3 | -176.7 | -4.4 | 0 | 0 | 109.9 | L223 | Q221-L223 PolarHBondContact O-N 3.08Å; Q221-L223 VanDerWaalsContact O-N 3.14Å | ||
| 222 | S | 83.1 | Confident | 93.5 | Very high | 118 Ų | 118 | 55.1 Ų | 55.1 | 83% | 0.825 | 28% | 0.281 | S | S | * | . | S | Bend | trans | 54.2 | 33.9 | 171.8 | -57 | 0 | 0 | 0 | 0 | 114.8 | ||
| 223 | L | 92.8 | Very high | 93.6 | Very high | 37 Ų | 37 | 52.6 Ų | 52.6 | 19% | 0.194 | 26% | 0.263 | C | S | . | . | trans | -77.4 | 133.4 | 176.8 | 178.1 | 65.8 | 0 | 0 | 0 | 110.1 | F183 L216 Q221 L225 | F183-L223 HydrophobicContact CB-CB 4.08Å; F183-L223 WeakPolarHBondContact CB-O 3.15Å; F183-L223 HydrophobicContact CD2-CB 4.08Å; F183-L223 HydrophobicContact CD2-CD2 3.97Å; F183-L223 HydrophobicContact CD2-CG 3.92Å; F183-L223 WeakPolarHBondContact CD2-O 3.3Å; F183-L223 HydrophobicContact CE2-CD2 4.14Å; F183-L223 HydrophobicContact CE2-CG 4.37Å; F183-L223 HydrophobicContact CG-CB 4.19Å; F183-L223 HydrophobicContact CG-CD2 4.24Å; F183-L223 HydrophobicContact CG-CG 4.4Å; F183-L223 PolarHBondContact N-O 3.14Å; L216-L223 HydrophobicContact CD1-CD2 3.6Å; L216-L223 HydrophobicContact CD2-CD2 3.52Å; L216-L223 HydrophobicContact CG-CD2 4.22Å; Q221-L223 PolarHBondContact O-N 3.08Å; Q221-L223 VanDerWaalsContact O-N 3.14Å; L223-L225 HydrophobicContact CD1-CD2 4.13Å; L223-L225 HydrophobicContact CD1-CG 4.27Å; L223-L225 HydrophobicContact CD2-CD1 4.18Å; L223-L225 HydrophobicContact CD2-CG 4.35Å; L223-L225 HydrophobicContact CG-CG 4.17Å | ||
| 224 | Q | 94.2 | Very high | 93.7 | Very high | 85 Ų | 85 | 51.8 Ų | 51.8 | 40% | 0.397 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 136 | 169.4 | -66.6 | -177.3 | -0.2 | 0 | 0 | 109.1 | L181 E182 Y226 | L181-Q224 CarbonylContact O-C 3.56Å; L181-Q224 VanDerWaalsContact O-CA 3.28Å; L181-Q224 WeakPolarHBondContact O-CA 3.31Å; E182-Q224 HydrophobicContact CB-CG 4.48Å; E182-Q224 HydrophobicContact CG-CG 4.33Å; E182-Q224 PolarHBondContact OE1-NE2 3.35Å; Q224-Y226 HydrophobicContact CB-CE2 4.36Å |
| 225 | L | 96.4 | Very high | 93.8 | Very high | 10 Ų | 10 | 47.8 Ų | 47.8 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 146.9 | 178.2 | -65.6 | 175.5 | 0 | 0 | 0 | 110.5 | R180 L181 F183 I202 V213 H214 L216 L223 G277 | R180-L225 CarbonylContact C-O 3.58Å; R180-L225 WeakPolarHBondContact CA-O 3.33Å; L181-L225 HydrophobicContact CB-CB 4.36Å; L181-L225 PolarHBondContact N-O 2.88Å; L181-L225 PolarHBondContact O-N 2.76Å; F183-L225 HydrophobicContact CE2-CB 4.48Å; F183-L225 HydrophobicContact CE2-CD1 3.85Å; F183-L225 HydrophobicContact CE2-CG 4.18Å; F183-L225 HydrophobicContact CZ-CD1 4.2Å; I202-L225 HydrophobicContact CD1-CD1 3.33Å; V213-L225 HydrophobicContact CG1-CD2 4.44Å; H214-L225 HydrophobicContact CB-CD1 3.96Å; L216-L225 HydrophobicContact CD1-CD1 4.23Å; L223-L225 HydrophobicContact CD1-CD2 4.13Å; L223-L225 HydrophobicContact CD1-CG 4.27Å; L223-L225 HydrophobicContact CD2-CD1 4.18Å; L223-L225 HydrophobicContact CD2-CG 4.35Å; L223-L225 HydrophobicContact CG-CG 4.17Å; L225-G277 CarbonylContact C-O 3.5Å; L225-G277 VanDerWaalsContact CA-O 3.29Å; L225-G277 WeakPolarHBondContact CA-O 3.4Å |
| 226 | Y | 96.3 | Very high | 93.8 | Very high | 13 Ų | 13 | 43.7 Ų | 43.7 | 5% | 0.051 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 141.6 | 179.2 | -64.3 | -99.8 | 0 | 0 | 0 | 111 | I179 R180 Q224 F259 G277 E279 | I179-Y226 VanDerWaalsContact O-CA 3.29Å; I179-Y226 WeakPolarHBondContact O-CA 3.39Å; R180-Y226 HydrophobicContact CB-CD1 3.88Å; R180-Y226 HydrophobicContact CB-CE1 3.63Å; R180-Y226 WeakPolarHBondContact CD-OH 3.37Å; R180-Y226 HydrophobicContact CG-CD1 4.03Å; R180-Y226 HydrophobicContact CG-CE1 3.49Å; R180-Y226 VanDerWaalsContact CG-CE1 3.49Å; R180-Y226 HydrophobicContact CG-CE2 4.21Å; Q224-Y226 HydrophobicContact CB-CE2 4.36Å; Y226-F259 HydrophobicContact CD1-CG 4.47Å; Y226-F259 AromaticContact CE1-CD1 3.98Å; Y226-F259 HydrophobicContact CE1-CD1 3.98Å; Y226-F259 AromaticContact CE1-CE1 3.98Å; Y226-F259 HydrophobicContact CE1-CE1 3.98Å; Y226-F259 HydrophobicContact CE1-CG 4.35Å; Y226-F259 HydrophobicContact CE1-CZ 4.32Å; Y226-G277 PolarHBondContact N-O 3.32Å; Y226-G277 VanDerWaalsContact O-CA 3.26Å; Y226-G277 WeakPolarHBondContact O-CA 3.33Å; Y226-G277 PolarHBondContact O-N 3.05Å; Y226-E279 HydrophobicContact CD1-CB 4.26Å; Y226-E279 HydrophobicContact CD1-CG 4.16Å; Y226-E279 HydrophobicContact CD2-CB 3.79Å; Y226-E279 HydrophobicContact CE1-CB 4.16Å; Y226-E279 HydrophobicContact CE1-CG 3.91Å; Y226-E279 HydrophobicContact CE2-CB 3.7Å; Y226-E279 HydrophobicContact CE2-CG 4.33Å; Y226-E279 HydrophobicContact CG-CB 4.08Å; Y226-E279 HydrophobicContact CG-CG 4.47Å; Y226-E279 PolarHBondContact OH-OE2 3.44Å |
| 227 | S | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -71 | 155.4 | 168.5 | 63.2 | 0 | 0 | 0 | 0 | 111.5 | R178 I179 K229 | R178-S227 PolarHBondContact NE-O 3.1Å; R178-S227 PolarHBondContact NH2-O 2.63Å; I179-S227 PolarHBondContact N-OG 2.9Å; I179-S227 PolarHBondContact O-N 3.14Å; S227-K229 VanDerWaalsContact CB-O 3.25Å; S227-K229 WeakPolarHBondContact CB-O 3.2Å; S227-K229 PolarHBondContact OG-O 2.91Å | ||
| 228 | E | 93.8 | Very high | 93.6 | Very high | 51 Ų | 51 | 46.4 Ų | 46.4 | 24% | 0.238 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -78.1 | -34.6 | 169.8 | -169.8 | 176.2 | 164.6 | 0 | 0 | 110.3 | D204 I262 R276 | D204-E228 PolarHBondContact OD1-N 2.9Å; D204-E228 WeakPolarHBondContact OD2-CB 3.32Å; D204-E228 PolarHBondContact OD2-N 2.87Å; E228-I262 HydrophobicContact CG-CG2 4.42Å; E228-R276 IonicContact OE2-CZ 3.39Å; E228-R276 IonicContact OE2-NE 3.55Å; E228-R276 PolarHBondContact OE2-NE 2.74Å; E228-R276 IonicContact OE2-NH2 3.22Å; E228-R276 PolarHBondContact OE2-NH2 2.61Å |
| 229 | K | 93.4 | Very high | 93.4 | Very high | 122 Ų | 122 | 48.1 Ų | 48.1 | 53% | 0.53 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -128.3 | -157.8 | -177.5 | -69.7 | -167.5 | 177.9 | -175.1 | 0 | 112.5 | E177 S227 N231 | E177-K229 CarbonylContact O-C 3.54Å; S227-K229 VanDerWaalsContact CB-O 3.25Å; S227-K229 WeakPolarHBondContact CB-O 3.2Å; S227-K229 PolarHBondContact OG-O 2.91Å; K229-N231 PolarHBondContact O-N 3.04Å |
| 230 | E | 95.9 | Very high | 92.7 | Very high | 57 Ų | 57 | 47.6 Ų | 47.6 | 27% | 0.266 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -75.8 | -13.4 | -174.1 | 63.9 | -86.3 | -169.2 | 0 | 0 | 115.8 | G173 E174 E177 I179 | G173-E230 WeakPolarHBondContact CA-O 3.18Å; G173-E230 PolarHBondContact N-O 2.81Å; E174-E230 WeakPolarHBondContact O-CB 2.92Å; E177-E230 VanDerWaalsContact O-CA 3.22Å; E177-E230 WeakPolarHBondContact O-CA 3.05Å; E177-E230 PolarHBondContact O-N 3.08Å; I179-E230 WeakPolarHBondContact CD1-O 3.15Å |
| 231 | N | 97.9 | Very high | 91.3 | Very high | 26 Ų | 26 | 52.8 Ų | 52.8 | 14% | 0.139 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 143.4 | -169.5 | -59.7 | -34.6 | 0 | 0 | 0 | 113.3 | I171 I172 G173 G205 D206 K229 | I171-N231 VanDerWaalsContact O-CA 3.31Å; I171-N231 WeakPolarHBondContact O-CA 3.2Å; I172-N231 VanDerWaalsContact CA-OD1 3.31Å; I172-N231 WeakPolarHBondContact CA-OD1 3.05Å; I172-N231 HydrophobicContact CD1-CB 4.25Å; G173-N231 PolarHBondContact N-OD1 2.93Å; G205-N231 PolarHBondContact N-O 3.2Å; G205-N231 CarbonylContact O-C 3.5Å; D206-N231 HydrophobicContact CB-CB 4.46Å; K229-N231 PolarHBondContact O-N 3.04Å |
| 232 | L | 98.3 | Very high | 90.1 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 145.9 | 166.1 | -70.1 | 177.3 | 0 | 0 | 0 | 110.7 | I171 I179 L181 I202 Y203 G205 V213 L234 | I171-L232 HydrophobicContact CB-CB 4.27Å; I171-L232 HydrophobicContact CD1-CB 4.43Å; I171-L232 PolarHBondContact N-O 2.72Å; I171-L232 PolarHBondContact O-N 3.22Å; I179-L232 HydrophobicContact CB-CD1 3.8Å; I179-L232 HydrophobicContact CB-CG 4.24Å; I179-L232 HydrophobicContact CD1-CB 4Å; I179-L232 HydrophobicContact CD1-CD1 4.19Å; I179-L232 HydrophobicContact CD1-CG 3.78Å; I179-L232 HydrophobicContact CG2-CD1 3.66Å; I179-L232 HydrophobicContact CG2-CG 4.48Å; L181-L232 HydrophobicContact CD1-CD1 3.78Å; L181-L232 HydrophobicContact CD2-CD1 4.12Å; L181-L232 HydrophobicContact CG-CD1 3.77Å; I202-L232 HydrophobicContact CG2-CD2 4.17Å; Y203-L232 WeakPolarHBondContact O-CA 3.11Å; Y203-L232 WeakPolarHBondContact O-CD2 3.46Å; G205-L232 CarbonylContact O-C 3.49Å; G205-L232 VanDerWaalsContact O-CA 3.31Å; G205-L232 WeakPolarHBondContact O-CA 3Å; G205-L232 PolarHBondContact O-N 2.94Å; V213-L232 HydrophobicContact CG2-CD2 4.26Å; L232-L234 HydrophobicContact CB-CD1 3.94Å |
| 233 | Y | 98 | Very high | 88.8 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 8% | 0.075 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 120 | 174.4 | -177.1 | -86.7 | 0 | 0 | 0 | 108.8 | I168 Q170 Y203 G205 D206 R208 E235 | I168-Y233 WeakPolarHBondContact CD1-OH 3.27Å; I168-Y233 HydrophobicContact CG2-CD2 4.27Å; I168-Y233 HydrophobicContact CG2-CE1 4.34Å; I168-Y233 HydrophobicContact CG2-CE2 3.43Å; I168-Y233 VanDerWaalsContact CG2-CE2 3.43Å; I168-Y233 VanDerWaalsContact CG2-CZ 3.48Å; I168-Y233 WeakPolarHBondContact CG2-OH 3.42Å; Q170-Y233 HydrophobicContact CG-CD2 3.66Å; Q170-Y233 HydrophobicContact CG-CE2 3.71Å; Y203-Y233 AromaticContact CD2-CD1 3.7Å; Y203-Y233 HydrophobicContact CD2-CD1 3.7Å; Y203-Y233 HydrophobicContact CD2-CE1 4.46Å; Y203-Y233 WeakPolarHBondContact CD2-O 2.93Å; Y203-Y233 HydrophobicContact CE2-CD1 4.14Å; Y203-Y233 HydrophobicContact CE2-CE1 4.48Å; Y203-Y233 HydrophobicContact CG-CD1 4.46Å; Y203-Y233 PolarHBondContact N-O 2.99Å; Y203-Y233 PolarHBondContact O-N 3.24Å; G205-Y233 WeakPolarHBondContact O-CB 3.04Å; G205-Y233 PolarHBondContact O-N 3.12Å; D206-Y233 WeakPolarHBondContact O-CD2 3.13Å; R208-Y233 HydrophobicContact CB-CD1 4.45Å; R208-Y233 HydrophobicContact CB-CE1 3.98Å; Y233-E235 HydrophobicContact CE1-CB 4.21Å |
| 234 | L | 97.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 131 | -178.8 | -82.3 | 62.7 | 0 | 0 | 0 | 109.6 | I152 I168 Y169 I171 L181 L200 T201 I202 L232 I251 | I152-L234 HydrophobicContact CD1-CD2 4.2Å; I168-L234 CarbonylContact C-O 3.56Å; I168-L234 WeakPolarHBondContact CA-O 3.3Å; Y169-L234 HydrophobicContact CD2-CB 4.18Å; Y169-L234 PolarHBondContact N-O 3Å; Y169-L234 PolarHBondContact O-N 3.48Å; I171-L234 HydrophobicContact CD1-CD1 3.99Å; I171-L234 HydrophobicContact CD1-CD2 4.47Å; L181-L234 HydrophobicContact CD1-CD1 4.2Å; L181-L234 HydrophobicContact CD1-CD2 4.23Å; L200-L234 HydrophobicContact CD1-CB 4.29Å; T201-L234 CarbonylContact O-C 3.57Å; T201-L234 WeakPolarHBondContact O-CA 3.38Å; I202-L234 HydrophobicContact CG1-CD1 4.41Å; I202-L234 HydrophobicContact CG1-CG 4.02Å; I202-L234 HydrophobicContact CG2-CD1 4Å; L232-L234 HydrophobicContact CB-CD1 3.94Å; L234-I251 HydrophobicContact CD2-CD1 4.49Å |
| 235 | E | 96.7 | Very high | 86.6 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 111.4 | 179.2 | -173.8 | 173.8 | -142 | 0 | 0 | 109.2 | H166 C167 L200 T201 Y203 R208 Y233 I237 | H166-E235 IonicContact CD2-OE1 2.96Å; H166-E235 IonicContact CE1-OE1 3.5Å; H166-E235 WeakPolarHBondContact NE2-CG 3.12Å; H166-E235 IonicContact NE2-OE1 2.82Å; H166-E235 PolarHBondContact NE2-OE1 3.04Å; C167-E235 WeakPolarHBondContact O-CA 3.32Å; L200-E235 WeakPolarHBondContact CA-O 3.39Å; T201-E235 PolarHBondContact N-O 2.57Å; T201-E235 PolarHBondContact O-N 2.96Å; Y203-E235 HydrophobicContact CE2-CB 3.97Å; Y203-E235 PolarHBondContact OH-OE2 2.88Å; R208-E235 IonicContact CZ-OE1 2.89Å; R208-E235 IonicContact NH2-OE1 4Å; R208-E235 PolarHBondContact NH2-OE1 2.82Å; R208-E235 VanDerWaalsContact NH2-OE1 3.1Å; R208-E235 IonicContact NH2-OE2 2.74Å; R208-E235 PolarHBondContact NH2-OE2 3.23Å; Y233-E235 HydrophobicContact CE1-CB 4.21Å; E235-I237 HydrophobicContact CG-CD1 3.81Å; E235-I237 HydrophobicContact CG-CG1 3.94Å |
| 236 | F | 96.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 112.9 | 173.4 | 178.5 | -129.5 | 0 | 0 | 0 | 109.5 | Y161 H166 C167 V188 S199 L200 T238 F249 | Y161-F236 HydrophobicContact CD1-CZ 4.23Å; Y161-F236 HydrophobicContact CD2-CZ 4.05Å; Y161-F236 HydrophobicContact CE1-CZ 4.42Å; Y161-F236 HydrophobicContact CE2-CZ 4.3Å; Y161-F236 HydrophobicContact CG-CE1 4.43Å; Y161-F236 HydrophobicContact CG-CZ 4.02Å; H166-F236 CarbonylContact C-O 3.52Å; H166-F236 WeakPolarHBondContact CA-O 3.25Å; C167-F236 HydrophobicContact CB-CB 4.19Å; C167-F236 HydrophobicContact CB-CD1 4.48Å; C167-F236 PolarHBondContact N-O 3Å; C167-F236 PolarHBondContact O-N 2.88Å; V188-F236 HydrophobicContact CG1-CE2 4.12Å; V188-F236 HydrophobicContact CG2-CE2 4.05Å; S199-F236 WeakPolarHBondContact O-CA 3.27Å; S199-F236 WeakPolarHBondContact O-CD2 3.46Å; L200-F236 HydrophobicContact CB-CD2 4.48Å; L200-F236 HydrophobicContact CD1-CB 3.97Å; F236-T238 HydrophobicContact CD1-CG2 4.22Å; F236-T238 HydrophobicContact CD2-CG2 4.35Å; F236-T238 HydrophobicContact CE1-CG2 3.49Å; F236-T238 VanDerWaalsContact CE1-CG2 3.49Å; F236-T238 HydrophobicContact CE2-CG2 3.64Å; F236-T238 HydrophobicContact CZ-CG2 3.16Å; F236-F249 HydrophobicContact CB-CE1 4.09Å; F236-F249 HydrophobicContact CB-CZ 4.15Å; F236-F249 AromaticContact CD1-CE1 3.79Å; F236-F249 HydrophobicContact CD1-CE1 3.79Å; F236-F249 HydrophobicContact CD1-CZ 4.17Å; F236-F249 HydrophobicContact CD2-CD1 4.49Å; F236-F249 AromaticContact CD2-CE1 3.66Å; F236-F249 HydrophobicContact CD2-CE1 3.66Å; F236-F249 HydrophobicContact CE1-CE1 4.05Å; F236-F249 HydrophobicContact CE2-CD1 4.46Å; F236-F249 AromaticContact CE2-CE1 3.93Å; F236-F249 HydrophobicContact CE2-CE1 3.93Å; F236-F249 AromaticContact CG-CE1 3.58Å; F236-F249 HydrophobicContact CG-CE1 3.58Å; F236-F249 HydrophobicContact CG-CZ 4.06Å; F236-F249 HydrophobicContact CZ-CE1 4.1Å |
| 237 | I | 94.2 | Very high | 86.1 | Confident | 59 Ų | 59 | 48.2 Ų | 48.2 | 30% | 0.303 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 131.6 | 178.4 | -65.8 | 163.9 | 0 | 0 | 0 | 108.3 | M165 D198 S199 E235 | M165-I237 CarbonylContact O-C 3.58Å; M165-I237 WeakPolarHBondContact O-CA 3.46Å; D198-I237 VanDerWaalsContact CA-O 3.28Å; D198-I237 WeakPolarHBondContact CA-O 3.41Å; S199-I237 PolarHBondContact N-O 2.95Å; S199-I237 PolarHBondContact O-N 3.19Å; E235-I237 HydrophobicContact CG-CD1 3.81Å; E235-I237 HydrophobicContact CG-CG1 3.94Å |
| 238 | T | 91.5 | Very high | 85.9 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | trans | -122.4 | 148.6 | 172.1 | 69.2 | 0 | 0 | 0 | 0 | 110.3 | Y161 P162 G163 N164 M165 D198 F236 | Y161-T238 HydrophobicContact CD2-CG2 3.64Å; Y161-T238 HydrophobicContact CE2-CG2 3.62Å; P162-T238 PolarHBondContact O-OG1 3.12Å; G163-T238 WeakPolarHBondContact CA-OG1 3.21Å; N164-T238 WeakPolarHBondContact CA-O 3.5Å; N164-T238 PolarHBondContact N-O 2.9Å; N164-T238 PolarHBondContact N-OG1 3.01Å; M165-T238 WeakPolarHBondContact CB-OG1 3.19Å; M165-T238 PolarHBondContact N-O 3.44Å; M165-T238 PolarHBondContact N-OG1 2.97Å; M165-T238 PolarHBondContact O-N 3.06Å; D198-T238 WeakPolarHBondContact OD1-CA 3.4Å; F236-T238 HydrophobicContact CD1-CG2 4.22Å; F236-T238 HydrophobicContact CD2-CG2 4.35Å; F236-T238 HydrophobicContact CE1-CG2 3.49Å; F236-T238 VanDerWaalsContact CE1-CG2 3.49Å; F236-T238 HydrophobicContact CE2-CG2 3.64Å; F236-T238 HydrophobicContact CZ-CG2 3.16Å | ||
| 239 | T | 89 | Confident | 86 | Confident | 45 Ų | 45 | 45.8 Ų | 45.8 | 28% | 0.276 | 24% | 0.241 | S | C | . | . | trans | -98.6 | 169.5 | -178.6 | 56 | 0 | 0 | 0 | 0 | 111.8 | G163 N164 D198 | G163-T239 VanDerWaalsContact CA-O 3.29Å; G163-T239 WeakPolarHBondContact CA-O 3.46Å; N164-T239 PolarHBondContact N-O 3.13Å; D198-T239 PolarHBondContact OD1-N 3.37Å; D198-T239 PolarHBondContact OD1-OG1 3.36Å; D198-T239 VanDerWaalsContact OD1-OG1 3.07Å | ||
| 240 | N | 76.2 | Confident | 86.1 | Confident | 109 Ų | 109 | 41.4 Ų | 41.4 | 58% | 0.583 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -85.4 | 123.6 | 174.7 | -154.6 | 9.7 | 0 | 0 | 0 | 108.4 | N164 | N164-N240 HydrophobicContact CB-CB 4.47Š|
| 241 | E | 58.7 | Low | 86.2 | Confident | 173 Ų | 173 | 38.7 Ų | 38.7 | 81% | 0.808 | 21% | 0.21 | S | C | * | . | trans | 82.3 | 68.4 | 168.6 | -50.2 | 178 | 178.9 | 0 | 0 | 119.2 | ||||
| 242 | V | 54 | Low | 86.1 | Confident | 40 Ų | 40 | 43 Ų | 43 | 24% | 0.242 | 22% | 0.224 | C | C | . | . | trans | -118.7 | 128.7 | 152.1 | -169.4 | 0 | 0 | 0 | 0 | 109.8 | Y189 S244 | Y189-V242 HydrophobicContact CD1-CB 4.25Å; Y189-V242 HydrophobicContact CD1-CG1 4.04Å; Y189-V242 HydrophobicContact CD1-CG2 3.73Å; Y189-V242 HydrophobicContact CD2-CG1 3.76Å; Y189-V242 HydrophobicContact CE1-CB 4.24Å; Y189-V242 HydrophobicContact CE1-CG1 3.79Å; Y189-V242 HydrophobicContact CE1-CG2 3.56Å; Y189-V242 HydrophobicContact CE2-CG1 3.5Å; Y189-V242 VanDerWaalsContact CE2-CG1 3.5Å; Y189-V242 HydrophobicContact CG-CB 4.43Å; Y189-V242 HydrophobicContact CG-CG1 4.01Å; Y189-V242 HydrophobicContact CG-CG2 4.39Å; Y189-V242 VanDerWaalsContact CZ-CG1 3.49Å; V242-S244 VanDerWaalsContact CG1-OG 3.23Å; V242-S244 WeakPolarHBondContact CG1-OG 3.49Å; V242-S244 PolarHBondContact O-N 2.79Å | ||
| 243 | A | 55.6 | Low | 86.1 | Confident | 109 Ų | 109 | 43.1 Ų | 43.1 | 90% | 0.901 | 22% | 0.224 | S | C | * | . | trans | -68.5 | 23.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 244 | S | 63.9 | Low | 86 | Confident | 26 Ų | 26 | 46.2 Ų | 46.2 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | trans | -104.9 | 127.9 | -173.6 | 49.1 | 0 | 0 | 0 | 0 | 111.9 | V242 H246 | V242-S244 VanDerWaalsContact CG1-OG 3.23Å; V242-S244 WeakPolarHBondContact CG1-OG 3.49Å; V242-S244 PolarHBondContact O-N 2.79Å; S244-H246 WeakPolarHBondContact CB-CD2 3.43Å; S244-H246 WeakPolarHBondContact CB-NE2 3.21Å; S244-H246 PolarHBondContact O-N 3.47Å; S244-H246 PolarHBondContact OG-CD2 3.39Å; S244-H246 PolarHBondContact OG-NE2 3.25Å | ||
| 245 | E | 77.6 | Confident | 86 | Confident | 49 Ų | 49 | 46.7 Ų | 46.7 | 23% | 0.229 | 24% | 0.24 | C | C | . | . | trans | -83.4 | 63.2 | 176.4 | -64 | 177.7 | -156.8 | 0 | 0 | 110.6 | Y83 K90 | Y83-E245 WeakPolarHBondContact CE1-OE1 3.35Å; K90-E245 HydrophobicContact CD-CB 4.01Å; K90-E245 VanDerWaalsContact CG-OE2 3.32Å; K90-E245 WeakPolarHBondContact CG-OE2 3.47Å; K90-E245 PolarHBondContact NZ-O 3.21Å | ||
| 246 | H | 90.2 | Very high | 85.9 | Confident | 32 Ų | 32 | 47.1 Ų | 47.1 | 15% | 0.148 | 24% | 0.244 | C | C | . | . | trans | -79.5 | 136.1 | 176.9 | -68.3 | -63.6 | 0 | 0 | 0 | 111.1 | K160 Y161 D187 Y189 S244 G248 | K160-H246 WeakPolarHBondContact CA-O 3.44Å; Y161-H246 HydrophobicContact CD1-CB 4.17Å; Y161-H246 WeakPolarHBondContact CD1-O 3.38Å; Y161-H246 HydrophobicContact CE1-CB 3.3Å; Y161-H246 PolarHBondContact N-O 3.49Å; D187-H246 WeakPolarHBondContact O-CB 3.11Å; D187-H246 IonicContact OD1-CE1 3.72Å; D187-H246 IonicContact OD1-CG 3.05Å; D187-H246 IonicContact OD1-ND1 3.54Å; D187-H246 PolarHBondContact OD1-ND1 3.14Å; D187-H246 WeakPolarHBondContact OD2-CA 3.44Å; D187-H246 IonicContact OD2-ND1 2.61Å; Y189-H246 VanDerWaalsContact CA-CD2 3.48Å; Y189-H246 WeakPolarHBondContact CA-CD2 3.34Å; Y189-H246 VanDerWaalsContact CA-NE2 3.32Å; Y189-H246 WeakPolarHBondContact CA-NE2 3.14Å; Y189-H246 AromaticContact CD2-NE2 3.41Å; Y189-H246 WeakPolarHBondContact CD2-NE2 3.24Å; Y189-H246 AromaticContact CG-NE2 3.96Å; S244-H246 WeakPolarHBondContact CB-CD2 3.43Å; S244-H246 WeakPolarHBondContact CB-NE2 3.21Å; S244-H246 PolarHBondContact O-N 3.47Å; S244-H246 PolarHBondContact OG-CD2 3.39Å; S244-H246 PolarHBondContact OG-NE2 3.25Å; H246-G248 VanDerWaalsContact C-N 3.31Å; H246-G248 PolarHBondContact O-N 3.1Å | ||
| 247 | R | 91.5 | Very high | 85.7 | Confident | 87 Ų | 87 | 54.7 Ų | 54.7 | 33% | 0.328 | 27% | 0.272 | S | S | . | . | trans | -80.3 | -13.3 | -172.8 | -58.4 | 178.2 | -62.7 | -168.2 | 7.2 | 113.7 | Y157 P158 G159 D185 D187 | Y157-R247 WeakPolarHBondContact CD2-O 3.39Å; P158-R247 WeakPolarHBondContact O-CB 3.48Å; P158-R247 WeakPolarHBondContact O-CG 3.35Å; G159-R247 CarbonylContact O-C 3.42Å; G159-R247 VanDerWaalsContact O-O 3.13Å; D185-R247 VanDerWaalsContact CG-NH2 3.29Å; D185-R247 IonicContact OD1-CZ 2.71Å; D185-R247 IonicContact OD1-NH2 4Å; D185-R247 PolarHBondContact OD1-NH2 3.14Å; D185-R247 IonicContact OD2-CZ 3Å; D185-R247 IonicContact OD2-NE 2.7Å; D185-R247 PolarHBondContact OD2-NE 3.21Å; D185-R247 IonicContact OD2-NH1 2.6Å; D185-R247 IonicContact OD2-NH2 3.97Å; D185-R247 PolarHBondContact OD2-NH2 2.8Å; D187-R247 HydrophobicContact CB-CB 4.42Å; D187-R247 PolarHBondContact OD2-N 3.31Å; D187-R247 IonicContact OD2-NE 2.93Å | ||
| 248 | G | 93.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 84 | -135.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | S154 D187 H246 | S154-G248 WeakPolarHBondContact OG-CA 3.33Å; D187-G248 CarbonylContact C-O 3.53Å; D187-G248 PolarHBondContact N-O 2.85Å; D187-G248 VanDerWaalsContact O-CA 3.28Å; D187-G248 WeakPolarHBondContact O-CA 3.48Å; D187-G248 PolarHBondContact O-N 2.8Å; D187-G248 VanDerWaalsContact O-O 3.14Å; H246-G248 VanDerWaalsContact C-N 3.31Å; H246-G248 PolarHBondContact O-N 3.1Å |
| 249 | F | 95.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 153.8 | -173.7 | 54.8 | -98.4 | 0 | 0 | 0 | 113.6 | I152 S154 Y169 D185 F186 V188 L200 F236 I251 | I152-F249 HydrophobicContact CG2-CE2 4.06Å; S154-F249 PolarHBondContact N-O 2.79Å; S154-F249 PolarHBondContact OG-N 2.94Å; Y169-F249 HydrophobicContact CE2-CE2 4.49Å; Y169-F249 HydrophobicContact CE2-CZ 4.17Å; D185-F249 CarbonylContact O-C 3.55Å; D185-F249 VanDerWaalsContact O-CA 3.29Å; D185-F249 WeakPolarHBondContact O-CA 3.3Å; F186-F249 HydrophobicContact CD2-CB 3.61Å; F186-F249 HydrophobicContact CD2-CG 4.36Å; F186-F249 HydrophobicContact CE2-CB 4.21Å; F186-F249 HydrophobicContact CE2-CD1 4.33Å; F186-F249 HydrophobicContact CG-CB 4.41Å; V188-F249 HydrophobicContact CG2-CD1 4.24Å; L200-F249 HydrophobicContact CD1-CE1 4.33Å; L200-F249 HydrophobicContact CD1-CZ 4.27Å; F236-F249 HydrophobicContact CB-CE1 4.09Å; F236-F249 HydrophobicContact CB-CZ 4.15Å; F236-F249 AromaticContact CD1-CE1 3.79Å; F236-F249 HydrophobicContact CD1-CE1 3.79Å; F236-F249 HydrophobicContact CD1-CZ 4.17Å; F236-F249 HydrophobicContact CD2-CD1 4.49Å; F236-F249 AromaticContact CD2-CE1 3.66Å; F236-F249 HydrophobicContact CD2-CE1 3.66Å; F236-F249 HydrophobicContact CE1-CE1 4.05Å; F236-F249 HydrophobicContact CE2-CD1 4.46Å; F236-F249 AromaticContact CE2-CE1 3.93Å; F236-F249 HydrophobicContact CE2-CE1 3.93Å; F236-F249 AromaticContact CG-CE1 3.58Å; F236-F249 HydrophobicContact CG-CE1 3.58Å; F236-F249 HydrophobicContact CG-CZ 4.06Å; F236-F249 HydrophobicContact CZ-CE1 4.1Å; F249-I251 HydrophobicContact CB-CD1 4.41Å; F249-I251 HydrophobicContact CB-CG1 4.3Å; F249-I251 HydrophobicContact CD2-CD1 3.55Å; F249-I251 HydrophobicContact CD2-CG1 3.87Å; F249-I251 HydrophobicContact CE2-CD1 4.05Å; F249-I251 HydrophobicContact CG-CD1 4.08Å; F249-I251 HydrophobicContact CG-CG1 4.39Å |
| 250 | H | 95.9 | Very high | 85.4 | Confident | 31 Ų | 31 | 56.1 Ų | 56.1 | 14% | 0.144 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 108.4 | 167.3 | 177.9 | -169.3 | 0 | 0 | 0 | 108.5 | S151 L153 Y157 E184 D185 | S151-H250 WeakPolarHBondContact CB-NE2 3.16Å; S151-H250 PolarHBondContact OG-NE2 3.3Å; L153-H250 HydrophobicContact CD2-CB 3.78Å; L153-H250 WeakPolarHBondContact CD2-CD2 3.44Å; Y157-H250 HydrophobicContact CD1-CB 4.18Å; Y157-H250 HydrophobicContact CD2-CB 4.45Å; Y157-H250 HydrophobicContact CE1-CB 3.66Å; Y157-H250 HydrophobicContact CE2-CB 4.01Å; E184-H250 PolarHBondContact N-O 3.49Å; E184-H250 IonicContact OE2-CE1 2.94Å; E184-H250 PolarHBondContact OE2-CE1 3.39Å; E184-H250 IonicContact OE2-ND1 2.89Å; E184-H250 PolarHBondContact OE2-ND1 3.34Å; E184-H250 IonicContact OE2-NE2 3.7Å; D185-H250 PolarHBondContact N-O 2.77Å; D185-H250 PolarHBondContact O-N 2.71Å |
| 251 | I | 96.9 | Very high | 86 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 119.5 | -176.1 | -57.7 | 167.6 | 0 | 0 | 0 | 108 | S151 I152 L181 E182 F183 L200 L234 F249 | S151-I251 CarbonylContact C-O 3.47Å; S151-I251 VanDerWaalsContact CA-O 3.28Å; S151-I251 WeakPolarHBondContact CA-O 3.32Å; I152-I251 HydrophobicContact CB-CB 4.48Å; I152-I251 PolarHBondContact N-O 3.01Å; I152-I251 PolarHBondContact O-N 2.85Å; L181-I251 HydrophobicContact CB-CG2 4Å; L181-I251 HydrophobicContact CD2-CG2 4.15Å; E182-I251 CarbonylContact O-C 3.45Å; E182-I251 WeakPolarHBondContact O-CA 3.4Å; F183-I251 HydrophobicContact CD1-CD1 3.98Å; F183-I251 HydrophobicContact CD1-CG1 3.72Å; F183-I251 HydrophobicContact CE1-CD1 3.41Å; F183-I251 VanDerWaalsContact CE1-CD1 3.41Å; F183-I251 HydrophobicContact CE1-CG1 3.68Å; F183-I251 HydrophobicContact CG-CG1 4.33Å; F183-I251 HydrophobicContact CZ-CD1 3.88Å; F183-I251 HydrophobicContact CZ-CG1 4.25Å; F183-I251 HydrophobicContact CZ-CG2 4.47Å; L200-I251 HydrophobicContact CD2-CD1 3.48Å; L200-I251 VanDerWaalsContact CD2-CD1 3.48Å; L234-I251 HydrophobicContact CD2-CD1 4.49Å; F249-I251 HydrophobicContact CB-CD1 4.41Å; F249-I251 HydrophobicContact CB-CG1 4.3Å; F249-I251 HydrophobicContact CD2-CD1 3.55Å; F249-I251 HydrophobicContact CD2-CG1 3.87Å; F249-I251 HydrophobicContact CE2-CD1 4.05Å; F249-I251 HydrophobicContact CG-CD1 4.08Å; F249-I251 HydrophobicContact CG-CG1 4.39Å |
| 252 | R | 97 | Very high | 87.6 | Confident | 116 Ų | 116 | 46.2 Ų | 46.2 | 44% | 0.438 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 141.4 | 165.7 | -57.8 | -163.1 | -148.5 | -98.1 | -1.6 | 109.3 | G150 L181 E182 E184 | G150-R252 WeakPolarHBondContact O-CA 3.47Å; L181-R252 CarbonylContact C-O 3.59Å; L181-R252 WeakPolarHBondContact CA-O 3.26Å; E182-R252 HydrophobicContact CB-CB 4.34Å; E182-R252 PolarHBondContact N-O 3.33Å; E182-R252 PolarHBondContact O-N 3.21Å; E184-R252 HydrophobicContact CG-CG 3.91Å; E184-R252 IonicContact OE1-CZ 3.23Å; E184-R252 IonicContact OE1-NE 3.66Å; E184-R252 PolarHBondContact OE1-NE 2.03Å; E184-R252 IonicContact OE1-NH2 3.58Å; E184-R252 PolarHBondContact OE1-NH2 3.48Å; E184-R252 IonicContact OE2-CZ 3.89Å; E184-R252 IonicContact OE2-NE 3.28Å; E184-R252 PolarHBondContact OE2-NE 3.03Å; E184-R252 VanDerWaalsContact OE2-NE 3.13Å; E184-R252 IonicContact OE2-NH1 2.91Å; E184-R252 IonicContact OE2-NH2 3.46Å; E184-R252 PolarHBondContact OE2-NH2 2.83Å |
| 253 | F | 97.2 | Very high | 89.3 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 2% | 0.022 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 153 | 168.3 | 69.2 | -82.7 | 0 | 0 | 0 | 110.9 | I129 I142 L147 N149 G150 I152 I179 R180 L181 F255 | I129-F253 HydrophobicContact CD1-CE1 3.39Å; I129-F253 HydrophobicContact CD1-CZ 3.83Å; I142-F253 HydrophobicContact CD1-CE1 4.3Å; I142-F253 HydrophobicContact CD1-CZ 4.33Å; I142-F253 HydrophobicContact CG2-CE2 3.96Å; I142-F253 HydrophobicContact CG2-CZ 3.85Å; L147-F253 HydrophobicContact CD2-CZ 3.82Å; L147-F253 HydrophobicContact CG-CZ 4.01Å; N149-F253 VanDerWaalsContact CA-O 3.28Å; N149-F253 WeakPolarHBondContact CA-O 3.28Å; N149-F253 WeakPolarHBondContact CB-O 3.16Å; G150-F253 VanDerWaalsContact CA-CE1 3.43Å; G150-F253 PolarHBondContact N-O 3.04Å; G150-F253 PolarHBondContact O-N 2.91Å; I152-F253 HydrophobicContact CD1-CD1 4.11Å; I152-F253 HydrophobicContact CG1-CD1 3.88Å; I152-F253 HydrophobicContact CG1-CE1 4.07Å; I179-F253 HydrophobicContact CG2-CB 4.37Å; R180-F253 CarbonylContact O-C 3.53Å; R180-F253 WeakPolarHBondContact O-CA 3.45Å; L181-F253 HydrophobicContact CD2-CB 3.67Å; F253-F255 HydrophobicContact CD2-CD2 4.11Å; F253-F255 AromaticContact CD2-CE2 3.85Å; F253-F255 HydrophobicContact CD2-CE2 3.85Å; F253-F255 HydrophobicContact CE2-CD2 4.1Å; F253-F255 AromaticContact CE2-CE2 3.68Å; F253-F255 HydrophobicContact CE2-CE2 3.68Å |
| 254 | K | 97.3 | Very high | 90.9 | Very high | 83 Ų | 83 | 49.9 Ų | 49.9 | 36% | 0.361 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 128 | 174.4 | 178.1 | 179.6 | 176.9 | -171.8 | 0 | 109.4 | N149 I179 R180 F259 | N149-K254 HydrophobicContact CB-CB 4.32Å; N149-K254 HydrophobicContact CB-CG 4.38Å; I179-K254 WeakPolarHBondContact CA-O 3.35Å; R180-K254 PolarHBondContact N-O 2.81Å; R180-K254 PolarHBondContact O-N 2.84Å; K254-F259 HydrophobicContact CD-CZ 4.39Å |
| 255 | F | 97.4 | Very high | 92.2 | Very high | 10 Ų | 10 | 49.6 Ų | 49.6 | 4% | 0.044 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 135.9 | 163.5 | -62.4 | -89.1 | 0 | 0 | 0 | 109.1 | I142 S144 L147 P148 I171 G173 R178 I179 F253 | I142-F255 HydrophobicContact CG2-CE2 4.37Å; S144-F255 WeakPolarHBondContact OG-CB 3.31Å; S144-F255 WeakPolarHBondContact OG-CG 3.4Å; L147-F255 WeakPolarHBondContact O-CE2 3.37Å; P148-F255 WeakPolarHBondContact O-CD2 3.29Å; P148-F255 PolarHBondContact O-N 3.12Å; I171-F255 HydrophobicContact CB-CZ 4.47Å; I171-F255 HydrophobicContact CG2-CE1 3.66Å; I171-F255 HydrophobicContact CG2-CE2 3.92Å; I171-F255 HydrophobicContact CG2-CZ 3.16Å; G173-F255 VanDerWaalsContact CA-CE1 3.43Å; R178-F255 WeakPolarHBondContact O-CA 3.39Å; I179-F255 HydrophobicContact CD1-CD1 4.27Å; I179-F255 HydrophobicContact CD1-CE1 3.75Å; I179-F255 HydrophobicContact CG1-CD1 3.5Å; I179-F255 HydrophobicContact CG1-CE1 3.48Å; I179-F255 VanDerWaalsContact CG1-CE1 3.48Å; I179-F255 HydrophobicContact CG1-CG 4.44Å; I179-F255 HydrophobicContact CG1-CZ 4.41Å; F253-F255 HydrophobicContact CD2-CD2 4.11Å; F253-F255 AromaticContact CD2-CE2 3.85Å; F253-F255 HydrophobicContact CD2-CE2 3.85Å; F253-F255 HydrophobicContact CE2-CD2 4.1Å; F253-F255 AromaticContact CE2-CE2 3.68Å; F253-F255 HydrophobicContact CE2-CE2 3.68Å |
| 256 | S | 94.5 | Very high | 92.9 | Very high | 13 Ų | 13 | 48.2 Ų | 48.2 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 143.3 | 174.6 | -164.1 | 0 | 0 | 0 | 0 | 111.7 | R178 D258 | R178-S256 PolarHBondContact N-O 2.91Å; R178-S256 PolarHBondContact O-N 2.79Å; S256-D258 WeakPolarHBondContact OG-CB 3.37Å; S256-D258 PolarHBondContact OG-N 3.28Å; S256-D258 VanDerWaalsContact OG-N 3.14Å |
| 257 | R | 92 | Very high | 92.8 | Very high | 159 Ų | 159 | 49.3 Ų | 49.3 | 60% | 0.6 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -87.7 | -9 | 166.7 | -59.7 | -174.1 | -178.8 | -173.7 | -4.5 | 112.8 | E177 F259 | E177-R257 HydrophobicContact CG-CG 3.63Å; E177-R257 IonicContact OE1-NE 3.5Å; R257-F259 VanDerWaalsContact C-N 3.3Å |
| 258 | D | 88.1 | Confident | 92.6 | Very high | 116 Ų | 116 | 48.5 Ų | 48.5 | 62% | 0.62 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -80 | -14.8 | 179.8 | -59.1 | -29.1 | 0 | 0 | 0 | 112.6 | S256 Y303 | S256-D258 WeakPolarHBondContact OG-CB 3.37Å; S256-D258 PolarHBondContact OG-N 3.28Å; S256-D258 VanDerWaalsContact OG-N 3.14Å; D258-Y303 WeakPolarHBondContact O-CE2 3.48Å |
| 259 | F | 90.3 | Very high | 92.4 | Very high | 19 Ų | 19 | 51.3 Ų | 51.3 | 8% | 0.083 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -68.4 | 155 | 174.9 | -59.7 | -40.8 | 0 | 0 | 0 | 111 | R178 R180 Y226 K254 R257 T261 Y303 | R178-F259 HydrophobicContact CB-CB 4.14Å; R178-F259 HydrophobicContact CB-CD2 3.95Å; R178-F259 WeakPolarHBondContact O-CD2 2.95Å; R180-F259 HydrophobicContact CB-CE1 4.3Å; R180-F259 HydrophobicContact CB-CE2 3.72Å; R180-F259 HydrophobicContact CB-CZ 3.49Å; R180-F259 VanDerWaalsContact CB-CZ 3.49Å; R180-F259 HydrophobicContact CG-CZ 4.46Å; Y226-F259 HydrophobicContact CD1-CG 4.47Å; Y226-F259 AromaticContact CE1-CD1 3.98Å; Y226-F259 HydrophobicContact CE1-CD1 3.98Å; Y226-F259 AromaticContact CE1-CE1 3.98Å; Y226-F259 HydrophobicContact CE1-CE1 3.98Å; Y226-F259 HydrophobicContact CE1-CG 4.35Å; Y226-F259 HydrophobicContact CE1-CZ 4.32Å; K254-F259 HydrophobicContact CD-CZ 4.39Å; R257-F259 VanDerWaalsContact C-N 3.3Å; F259-T261 PolarHBondContact O-N 3.04Å; F259-Y303 WeakPolarHBondContact CA-OH 3.41Å |
| 260 | V | 89.6 | Confident | 92.1 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | trans | -55.3 | 131.3 | -176.2 | -175.5 | 0 | 0 | 0 | 0 | 112.5 | R178 I262 L265 E279 C280 P297 Y303 | R178-V260 WeakPolarHBondContact CD-O 3.31Å; R178-V260 PolarHBondContact NH1-O 2.82Å; V260-I262 PolarHBondContact O-N 3.03Å; V260-L265 HydrophobicContact CG1-CB 4.17Å; V260-L265 HydrophobicContact CG1-CD2 3.99Å; V260-E279 HydrophobicContact CG2-CG 4.16Å; V260-C280 HydrophobicContact CB-CB 4.5Å; V260-C280 HydrophobicContact CG1-CB 4.49Å; V260-C280 HydrophobicContact CG2-CB 4.01Å; V260-P297 HydrophobicContact CB-CB 4.34Å; V260-P297 HydrophobicContact CG1-CB 3.83Å; V260-P297 HydrophobicContact CG1-CG 4.17Å; V260-P297 HydrophobicContact CG2-CB 3.55Å; V260-P297 HydrophobicContact CG2-CG 3.78Å; V260-Y303 HydrophobicContact CB-CE2 4.38Å; V260-Y303 HydrophobicContact CG2-CD2 4.19Å; V260-Y303 HydrophobicContact CG2-CE1 3.89Å; V260-Y303 HydrophobicContact CG2-CE2 3.44Å; V260-Y303 VanDerWaalsContact CG2-CE2 3.44Å; V260-Y303 VanDerWaalsContact CG2-OH 3.26Å; V260-Y303 WeakPolarHBondContact CG2-OH 3.2Å; V260-Y303 PolarHBondContact N-OH 2.72Å | ||
| 261 | T | 89.9 | Confident | 91.9 | Very high | 67 Ų | 67 | 54.2 Ų | 54.2 | 41% | 0.411 | 31% | 0.307 | S | S | . | . | trans | -79.7 | 111 | 169.2 | -48.9 | 0 | 0 | 0 | 0 | 110.2 | F259 D263 T264 L265 | F259-T261 PolarHBondContact O-N 3.04Å; T261-D263 PolarHBondContact O-N 2.97Å; T261-T264 PolarHBondContact O-N 3.36Å; T261-L265 PolarHBondContact O-N 2.94Å; T261-L265 VanDerWaalsContact O-N 3.15Å | ||
| 262 | I | 91.8 | Very high | 91.8 | Very high | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.036 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.4 | -40.8 | -174 | -59.8 | -52.7 | 0 | 0 | 0 | 112.5 | R178 E228 V260 T264 L265 V266 H274 E279 | R178-I262 VanDerWaalsContact NH1-CD1 3.31Å; E228-I262 HydrophobicContact CG-CG2 4.42Å; V260-I262 PolarHBondContact O-N 3.03Å; I262-T264 VanDerWaalsContact C-N 3.28Å; I262-T264 PolarHBondContact O-N 2.04Å; I262-L265 PolarHBondContact O-N 3.07Å; I262-L265 VanDerWaalsContact O-N 3.1Å; I262-V266 HydrophobicContact CG2-CG2 4.03Å; I262-V266 WeakPolarHBondContact O-CG2 3.33Å; I262-V266 PolarHBondContact O-N 3.27Å; I262-H274 HydrophobicContact CG2-CB 3.49Å; I262-H274 VanDerWaalsContact CG2-CB 3.49Å; I262-E279 WeakPolarHBondContact CD1-O 3.27Å |
| 263 | D | 90.6 | Very high | 91.7 | Very high | 122 Ų | 122 | 51.7 Ų | 51.7 | 65% | 0.652 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -57.9 | -41.2 | 179.2 | -69 | -39.7 | 0 | 0 | 0 | 112.2 | T261 G267 | T261-D263 PolarHBondContact O-N 2.97Å; D263-G267 WeakPolarHBondContact O-CA 3.35Å; D263-G267 PolarHBondContact O-N 3.1Å |
| 264 | T | 88.6 | Confident | 91.6 | Very high | 105 Ų | 105 | 52.4 Ų | 52.4 | 64% | 0.644 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -69.3 | -40.6 | 176.6 | -51.7 | 0 | 0 | 0 | 0 | 111.6 | T261 I262 G267 | T261-T264 PolarHBondContact O-N 3.36Å; I262-T264 VanDerWaalsContact C-N 3.28Å; I262-T264 PolarHBondContact O-N 2.04Å; T264-G267 PolarHBondContact O-N 2.76Å |
| 265 | L | 91 | Very high | 91.5 | Very high | 19 Ų | 19 | 50.8 Ų | 50.8 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.6 | -41.8 | -179.3 | 180 | 66.1 | 0 | 0 | 0 | 112 | V260 T261 I262 C280 L282 M295 P297 | V260-L265 HydrophobicContact CG1-CB 4.17Å; V260-L265 HydrophobicContact CG1-CD2 3.99Å; T261-L265 PolarHBondContact O-N 2.94Å; T261-L265 VanDerWaalsContact O-N 3.15Å; I262-L265 PolarHBondContact O-N 3.07Å; I262-L265 VanDerWaalsContact O-N 3.1Å; L265-C280 HydrophobicContact CD2-CB 3.97Å; L265-L282 HydrophobicContact CD1-CD1 4.22Å; L265-L282 HydrophobicContact CD2-CD1 4.12Å; L265-L282 HydrophobicContact CD2-CD2 3.72Å; L265-L282 HydrophobicContact CD2-CG 3.99Å; L265-L282 HydrophobicContact CG-CD1 3.84Å; L265-L282 HydrophobicContact CG-CD2 4.08Å; L265-L282 HydrophobicContact CG-CG 4.26Å; L265-M295 VanDerWaalsContact CD1-O 3.3Å; L265-M295 WeakPolarHBondContact CD1-O 3.45Å; L265-P297 HydrophobicContact CD1-CG 4.43Å |
| 266 | V | 92.7 | Very high | 91.4 | Very high | 21 Ų | 21 | 56 Ų | 56 | 13% | 0.127 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -77.8 | -31.2 | 177.3 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | I262 G268 Q269 V272 H274 L282 | I262-V266 HydrophobicContact CG2-CG2 4.03Å; I262-V266 WeakPolarHBondContact O-CG2 3.33Å; I262-V266 PolarHBondContact O-N 3.27Å; V266-G268 PolarHBondContact O-N 2.91Å; V266-G268 VanDerWaalsContact O-N 3.11Å; V266-Q269 PolarHBondContact O-N 2.55Å; V266-Q269 VanDerWaalsContact O-N 3.15Å; V266-V272 HydrophobicContact CB-CG1 4.48Å; V266-V272 HydrophobicContact CG1-CB 4.18Å; V266-V272 HydrophobicContact CG1-CG1 4.12Å; V266-V272 WeakPolarHBondContact CG1-O 2.94Å; V266-V272 HydrophobicContact CG2-CG1 4.44Å; V266-H274 HydrophobicContact CG2-CB 4.31Å; V266-L282 HydrophobicContact CG2-CD2 3.98Å |
| 267 | G | 87.6 | Confident | 91.4 | Very high | 54 Ų | 54 | 55.5 Ų | 55.5 | 56% | 0.557 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 19.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D263 T264 Q269 | D263-G267 WeakPolarHBondContact O-CA 3.35Å; D263-G267 PolarHBondContact O-N 3.1Å; T264-G267 PolarHBondContact O-N 2.76Å; G267-Q269 PolarHBondContact O-N 3.4Å; G267-Q269 VanDerWaalsContact O-N 3.16Å |
| 268 | G | 87.2 | Confident | 91.5 | Very high | 71 Ų | 71 | 49.3 Ų | 49.3 | 73% | 0.732 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 16.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | V266 | V266-G268 PolarHBondContact O-N 2.91Å; V266-G268 VanDerWaalsContact O-N 3.11Å |
| 269 | Q | 89.5 | Confident | 91.8 | Very high | 59 Ų | 59 | 45.1 Ų | 45.1 | 28% | 0.276 | 28% | 0.282 | S | S | . | . | trans | -70.1 | 135.8 | -175.9 | -70.3 | -179.4 | -17.1 | 0 | 0 | 111.6 | V266 G267 G271 V272 T293 | V266-Q269 PolarHBondContact O-N 2.55Å; V266-Q269 VanDerWaalsContact O-N 3.15Å; G267-Q269 PolarHBondContact O-N 3.4Å; G267-Q269 VanDerWaalsContact O-N 3.16Å; Q269-G271 PolarHBondContact O-N 2.93Å; Q269-V272 HydrophobicContact CB-CB 4.24Å; Q269-V272 HydrophobicContact CB-CG2 3.87Å; Q269-V272 PolarHBondContact O-N 3.11Å; Q269-T293 PolarHBondContact NE2-O 2.05Å; Q269-T293 PolarHBondContact OE1-O 2.94Å | ||
| 270 | P | 90.1 | Very high | 92 | Very high | 74 Ų | 74 | 44.2 Ų | 44.2 | 48% | 0.481 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 126.3 | 175.5 | 24 | -31.2 | 0 | 0 | 0 | 111.3 | ||
| 271 | G | 90.7 | Very high | 92.2 | Very high | 17 Ų | 17 | 45.2 Ų | 45.2 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | -8.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q269 I284 L285 | Q269-G271 PolarHBondContact O-N 2.93Å; G271-I284 CarbonylContact O-C 3.58Å; G271-I284 WeakPolarHBondContact O-CA 3.43Å; G271-L285 PolarHBondContact O-N 2.82Å |
| 272 | V | 95.4 | Very high | 92.6 | Very high | 11 Ų | 11 | 42.1 Ų | 42.1 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 126.8 | 172 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | V266 Q269 L282 R283 I284 V292 | V266-V272 HydrophobicContact CB-CG1 4.48Å; V266-V272 HydrophobicContact CG1-CB 4.18Å; V266-V272 HydrophobicContact CG1-CG1 4.12Å; V266-V272 WeakPolarHBondContact CG1-O 2.94Å; V266-V272 HydrophobicContact CG2-CG1 4.44Å; Q269-V272 HydrophobicContact CB-CB 4.24Å; Q269-V272 HydrophobicContact CB-CG2 3.87Å; Q269-V272 PolarHBondContact O-N 3.11Å; V272-L282 HydrophobicContact CG1-CD1 3.99Å; V272-R283 CarbonylContact C-O 3.56Å; V272-R283 WeakPolarHBondContact CA-O 3.4Å; V272-I284 HydrophobicContact CG1-CG1 4.43Å; V272-I284 HydrophobicContact CG2-CG1 4.25Å; V272-I284 HydrophobicContact CG2-CG2 4.36Å; V272-V292 HydrophobicContact CG2-CG1 3.35Å |
| 273 | A | 94.9 | Very high | 92.8 | Very high | 52 Ų | 52 | 47.6 Ų | 47.6 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 140.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L282 R283 | A273-L282 CarbonylContact O-C 3.5Å; A273-L282 WeakPolarHBondContact O-CA 3.47Å; A273-R283 PolarHBondContact N-O 3.2Å; A273-R283 PolarHBondContact O-N 2.75Å |
| 274 | H | 95.1 | Very high | 93.1 | Very high | 20 Ų | 20 | 41.8 Ų | 41.8 | 9% | 0.093 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 143.8 | 172.9 | 169.1 | -107.3 | 0 | 0 | 0 | 111.6 | I262 V266 T278 D281 L282 | I262-H274 HydrophobicContact CG2-CB 3.49Å; I262-H274 VanDerWaalsContact CG2-CB 3.49Å; V266-H274 HydrophobicContact CG2-CB 4.31Å; H274-T278 PolarHBondContact CE1-O 3.2Å; H274-T278 PolarHBondContact NE2-O 3.33Å; H274-T278 PolarHBondContact NE2-OG1 3.39Å; H274-D281 PolarHBondContact CD2-O 3.29Å; H274-D281 VanDerWaalsContact CD2-O 3.26Å; H274-L282 HydrophobicContact CB-CD2 4.13Å |
| 275 | L | 95.3 | Very high | 93.4 | Very high | 50 Ų | 50 | 40.2 Ų | 40.2 | 26% | 0.262 | 24% | 0.24 | S | C | . | . | trans | -86.5 | 107.7 | 170.3 | -79.4 | 73.1 | 0 | 0 | 0 | 109.4 | G277 T278 D281 R283 Y311 | L275-G277 PolarHBondContact O-N 2.78Å; L275-T278 HydrophobicContact CB-CG2 3.96Å; L275-T278 WeakPolarHBondContact O-CB 3.36Å; L275-T278 WeakPolarHBondContact O-CG2 3.25Å; L275-T278 PolarHBondContact O-N 2.9Å; L275-T278 VanDerWaalsContact O-N 3.1Å; L275-T278 PolarHBondContact O-OG1 3.28Å; L275-D281 HydrophobicContact CB-CB 4.2Å; L275-D281 HydrophobicContact CD1-CB 4.47Å; L275-D281 HydrophobicContact CD2-CB 4.47Å; L275-D281 PolarHBondContact N-O 2.74Å; L275-R283 HydrophobicContact CD1-CB 3.67Å; L275-R283 VanDerWaalsContact CD1-N 3.32Å; L275-Y311 HydrophobicContact CD1-CD2 4.14Å; L275-Y311 HydrophobicContact CD2-CD2 3.86Å; L275-Y311 HydrophobicContact CD2-CE2 3.59Å | ||
| 276 | R | 94.5 | Very high | 93.6 | Very high | 118 Ų | 118 | 39.8 Ų | 39.8 | 45% | 0.445 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 139.2 | 177.2 | -67.9 | -174.6 | -176.5 | 86.2 | 15.3 | 112.1 | E228 T278 | E228-R276 IonicContact OE2-CZ 3.39Å; E228-R276 IonicContact OE2-NE 3.55Å; E228-R276 PolarHBondContact OE2-NE 2.74Å; E228-R276 IonicContact OE2-NH2 3.22Å; E228-R276 PolarHBondContact OE2-NH2 2.61Å; R276-T278 VanDerWaalsContact C-N 3.3Å |
| 277 | G | 94.8 | Very high | 93.5 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | 90.1 | -14.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L225 Y226 L275 | L225-G277 CarbonylContact C-O 3.5Å; L225-G277 VanDerWaalsContact CA-O 3.29Å; L225-G277 WeakPolarHBondContact CA-O 3.4Å; Y226-G277 PolarHBondContact N-O 3.32Å; Y226-G277 VanDerWaalsContact O-CA 3.26Å; Y226-G277 WeakPolarHBondContact O-CA 3.33Å; Y226-G277 PolarHBondContact O-N 3.05Å; L275-G277 PolarHBondContact O-N 2.78Å |
| 278 | T | 94.7 | Very high | 93.4 | Very high | 29 Ų | 29 | 49.5 Ų | 49.5 | 18% | 0.178 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -96.9 | 156.4 | 177.5 | 74.9 | 0 | 0 | 0 | 0 | 111.1 | R178 H274 L275 R276 D281 | R178-T278 PolarHBondContact NH2-O 3.48Å; H274-T278 PolarHBondContact CE1-O 3.2Å; H274-T278 PolarHBondContact NE2-O 3.33Å; H274-T278 PolarHBondContact NE2-OG1 3.39Å; L275-T278 HydrophobicContact CB-CG2 3.96Å; L275-T278 WeakPolarHBondContact O-CB 3.36Å; L275-T278 WeakPolarHBondContact O-CG2 3.25Å; L275-T278 PolarHBondContact O-N 2.9Å; L275-T278 VanDerWaalsContact O-N 3.1Å; L275-T278 PolarHBondContact O-OG1 3.28Å; R276-T278 VanDerWaalsContact C-N 3.3Å; T278-D281 HydrophobicContact CG2-CB 3.82Å; T278-D281 WeakPolarHBondContact CG2-OD2 3.33Å; T278-D281 VanDerWaalsContact OG1-CB 3.3Å; T278-D281 WeakPolarHBondContact OG1-CB 3.43Å; T278-D281 PolarHBondContact OG1-N 3.02Å |
| 279 | E | 93.4 | Very high | 93.3 | Very high | 28 Ų | 28 | 49.7 Ų | 49.7 | 13% | 0.131 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -67.6 | -43.4 | 176.6 | -168.8 | 171.9 | -175.3 | 0 | 0 | 111.3 | R178 Y226 V260 I262 Y303 | R178-E279 PolarHBondContact NH1-O 3.45Å; R178-E279 PolarHBondContact NH2-O 3.1Å; Y226-E279 HydrophobicContact CD1-CB 4.26Å; Y226-E279 HydrophobicContact CD1-CG 4.16Å; Y226-E279 HydrophobicContact CD2-CB 3.79Å; Y226-E279 HydrophobicContact CE1-CB 4.16Å; Y226-E279 HydrophobicContact CE1-CG 3.91Å; Y226-E279 HydrophobicContact CE2-CB 3.7Å; Y226-E279 HydrophobicContact CE2-CG 4.33Å; Y226-E279 HydrophobicContact CG-CB 4.08Å; Y226-E279 HydrophobicContact CG-CG 4.47Å; Y226-E279 PolarHBondContact OH-OE2 3.44Å; V260-E279 HydrophobicContact CG2-CG 4.16Å; I262-E279 WeakPolarHBondContact CD1-O 3.27Å; E279-Y303 PolarHBondContact OE1-OH 2.77Å |
| 280 | C | 93.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -155.5 | 15.3 | -170 | 50.5 | 0 | 0 | 0 | 0 | 114.5 | V260 L265 P297 C308 | V260-C280 HydrophobicContact CB-CB 4.5Å; V260-C280 HydrophobicContact CG1-CB 4.49Å; V260-C280 HydrophobicContact CG2-CB 4.01Å; L265-C280 HydrophobicContact CD2-CB 3.97Å; C280-P297 HydrophobicContact CB-CG 3.84Å; C280-C308 HydrophobicContact CB-CB 3.9Å; C280-C308 WeakPolarHBondContact CB-SG 3.38Å; C280-C308 WeakPolarHBondContact SG-CA 3.44Å; C280-C308 WeakPolarHBondContact SG-CB 3.2Å; C280-C308 CovalentContact SG-SG 2.02Å; C280-C308 PolarHBondContact SG-SG 3.04Å |
| 281 | D | 95.5 | Very high | 93.5 | Very high | 23 Ų | 23 | 50.6 Ų | 50.6 | 12% | 0.123 | 24% | 0.241 | C | C | . | . | trans | -73.7 | 135.2 | 180 | -62.2 | -13.2 | 0 | 0 | 0 | 110.1 | H274 L275 T278 C308 T309 | H274-D281 PolarHBondContact CD2-O 3.29Å; H274-D281 VanDerWaalsContact CD2-O 3.26Å; L275-D281 HydrophobicContact CB-CB 4.2Å; L275-D281 HydrophobicContact CD1-CB 4.47Å; L275-D281 HydrophobicContact CD2-CB 4.47Å; L275-D281 PolarHBondContact N-O 2.74Å; T278-D281 HydrophobicContact CG2-CB 3.82Å; T278-D281 WeakPolarHBondContact CG2-OD2 3.33Å; T278-D281 VanDerWaalsContact OG1-CB 3.3Å; T278-D281 WeakPolarHBondContact OG1-CB 3.43Å; T278-D281 PolarHBondContact OG1-N 3.02Å; D281-C308 WeakPolarHBondContact OD1-CA 3.29Å; D281-T309 CarbonylContact C-O 3.34Å; D281-T309 WeakPolarHBondContact CA-O 3.3Å; D281-T309 WeakPolarHBondContact CB-O 3.29Å; D281-T309 PolarHBondContact OD1-N 3.34Å | ||
| 282 | L | 96.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 146.3 | -178.7 | -60.1 | -175.4 | 0 | 0 | 0 | 110.9 | L265 V266 V272 A273 H274 I284 T309 Y310 Y311 | L265-L282 HydrophobicContact CD1-CD1 4.22Å; L265-L282 HydrophobicContact CD2-CD1 4.12Å; L265-L282 HydrophobicContact CD2-CD2 3.72Å; L265-L282 HydrophobicContact CD2-CG 3.99Å; L265-L282 HydrophobicContact CG-CD1 3.84Å; L265-L282 HydrophobicContact CG-CD2 4.08Å; L265-L282 HydrophobicContact CG-CG 4.26Å; V266-L282 HydrophobicContact CG2-CD2 3.98Å; V272-L282 HydrophobicContact CG1-CD1 3.99Å; A273-L282 CarbonylContact O-C 3.5Å; A273-L282 WeakPolarHBondContact O-CA 3.47Å; H274-L282 HydrophobicContact CB-CD2 4.13Å; L282-I284 HydrophobicContact CB-CD1 3.91Å; L282-T309 PolarHBondContact N-O 3.07Å; L282-Y310 HydrophobicContact CB-CD1 4.01Å; L282-Y310 HydrophobicContact CD1-CD1 3.84Å; L282-Y310 HydrophobicContact CD1-CE1 3.68Å; L282-Y310 HydrophobicContact CG-CD1 4.16Å; L282-Y310 HydrophobicContact CG-CE1 4.16Å; L282-Y310 CarbonylContact O-C 3.55Å; L282-Y310 WeakPolarHBondContact O-CA 3.35Å; L282-Y311 PolarHBondContact O-N 2.87Å |
| 283 | R | 96.3 | Very high | 93.7 | Very high | 122 Ų | 122 | 51.9 Ų | 51.9 | 46% | 0.46 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 124.3 | 164.6 | -166 | 170.2 | -171.2 | -173.7 | -3.5 | 108.8 | V272 A273 L275 L285 Y311 D313 | V272-R283 CarbonylContact C-O 3.56Å; V272-R283 WeakPolarHBondContact CA-O 3.4Å; A273-R283 PolarHBondContact N-O 3.2Å; A273-R283 PolarHBondContact O-N 2.75Å; L275-R283 HydrophobicContact CD1-CB 3.67Å; L275-R283 VanDerWaalsContact CD1-N 3.32Å; R283-L285 HydrophobicContact CG-CD2 3.94Å; R283-L285 HydrophobicContact CG-CG 4.24Å; R283-Y311 WeakPolarHBondContact CA-O 3.06Å; R283-D313 IonicContact CZ-OD2 3.54Å; R283-D313 IonicContact NE-OD2 3.49Å; R283-D313 PolarHBondContact NE-OD2 3.41Å; R283-D313 IonicContact NH2-OD2 2.71Å; R283-D313 PolarHBondContact NH2-OD2 3.35Å |
| 284 | I | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 115.7 | 177.7 | -57 | 84.8 | 0 | 0 | 0 | 106.8 | G271 V272 L282 V292 I294 Y310 Y311 I312 D313 F403 | G271-I284 CarbonylContact O-C 3.58Å; G271-I284 WeakPolarHBondContact O-CA 3.43Å; V272-I284 HydrophobicContact CG1-CG1 4.43Å; V272-I284 HydrophobicContact CG2-CG1 4.25Å; V272-I284 HydrophobicContact CG2-CG2 4.36Å; L282-I284 HydrophobicContact CB-CD1 3.91Å; I284-V292 HydrophobicContact CG2-CB 4.33Å; I284-V292 HydrophobicContact CG2-CG1 4.19Å; I284-V292 HydrophobicContact CG2-CG2 4.34Å; I284-I294 HydrophobicContact CD1-CG2 4.19Å; I284-I294 HydrophobicContact CG1-CG2 3.81Å; I284-Y310 HydrophobicContact CD1-CD1 4.3Å; I284-Y311 PolarHBondContact N-O 2.68Å; I284-I312 HydrophobicContact CB-CG1 4.4Å; I284-I312 HydrophobicContact CB-CG2 4.49Å; I284-I312 HydrophobicContact CD1-CG1 4.13Å; I284-D313 PolarHBondContact O-N 2.81Å; I284-F403 HydrophobicContact CG2-CE2 4.3Å; I284-F403 HydrophobicContact CG2-CZ 4.08Å |
| 285 | L | 95.6 | Very high | 93.6 | Very high | 72 Ų | 72 | 51.5 Ų | 51.5 | 38% | 0.377 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 130.2 | 179.4 | -60.4 | -179.7 | 0 | 0 | 0 | 109.8 | G271 R283 D313 | G271-L285 PolarHBondContact O-N 2.82Å; R283-L285 HydrophobicContact CG-CD2 3.94Å; R283-L285 HydrophobicContact CG-CG 4.24Å; L285-D313 HydrophobicContact CD2-CB 3.79Å |
| 286 | S | 94.4 | Very high | 93.4 | Very high | 11 Ų | 11 | 49.4 Ų | 49.4 | 8% | 0.077 | 23% | 0.225 | C | C | . | . | trans | -61.7 | 144.6 | 169.1 | 177.3 | 0 | 0 | 0 | 0 | 111.8 | K288 N290 D313 E322 | S286-K288 PolarHBondContact OG-N 3.32Å; S286-N290 PolarHBondContact OG-OD1 2.9Å; S286-D313 PolarHBondContact N-O 3.04Å; S286-E322 WeakPolarHBondContact CB-OE2 3.15Å; S286-E322 VanDerWaalsContact OG-CD 3.32Å; S286-E322 PolarHBondContact OG-OE1 2.6Å; S286-E322 PolarHBondContact OG-OE2 3.36Å | ||
| 287 | R | 90.6 | Very high | 93.2 | Very high | 166 Ų | 166 | 44 Ų | 44 | 63% | 0.626 | 21% | 0.205 | S | C | * | . | trans | -116.2 | 30.6 | 170.3 | -67 | -169.1 | 172.7 | -166.6 | 1 | 111.5 | N290 | R287-N290 PolarHBondContact N-OD1 3.18Š| ||
| 288 | K | 86.5 | Confident | 92.7 | Very high | 113 Ų | 113 | 47 Ų | 47 | 49% | 0.491 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 76.2 | 110.3 | -176.2 | -168.6 | 169.8 | -177.2 | 141.2 | 0 | 113.1 | S286 N290 L315 D320 E322 | S286-K288 PolarHBondContact OG-N 3.32Å; K288-N290 PolarHBondContact O-N 3.33Å; K288-L315 HydrophobicContact CB-CD1 3.74Å; K288-L315 HydrophobicContact CG-CD1 4.25Å; K288-D320 IonicContact NZ-OD1 3.72Å; K288-D320 PolarHBondContact NZ-OD1 3.14Å; K288-E322 VanDerWaalsContact CA-OE1 3.3Å; K288-E322 WeakPolarHBondContact CA-OE1 3.19Å |
| 289 | E | 84.6 | Confident | 92.3 | Very high | 74 Ų | 74 | 47.4 Ų | 47.4 | 35% | 0.346 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 50.6 | 32.8 | 171.4 | -57.1 | -176.9 | 158.9 | 0 | 0 | 114.4 | E322 F403 T405 N418 | E289-E322 PolarHBondContact N-OE1 2.86Å; E289-F403 WeakPolarHBondContact CA-O 3.34Å; E289-T405 PolarHBondContact OE1-OG1 3.09Å; E289-N418 WeakPolarHBondContact OE1-CB 3.38Å; E289-N418 PolarHBondContact OE1-ND2 3.28Å; E289-N418 PolarHBondContact OE2-ND2 3.38Å |
| 290 | N | 91 | Very high | 91.7 | Very high | 34 Ų | 34 | 50 Ų | 50 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | trans | -101.3 | 167.1 | -177.5 | 69.6 | -71.8 | 0 | 0 | 0 | 112 | S286 R287 K288 V292 F403 | S286-N290 PolarHBondContact OG-OD1 2.9Å; R287-N290 PolarHBondContact N-OD1 3.18Å; K288-N290 PolarHBondContact O-N 3.33Å; N290-V292 VanDerWaalsContact ND2-CG2 3.35Å; N290-V292 WeakPolarHBondContact ND2-CG2 3.36Å; N290-F403 WeakPolarHBondContact O-CD2 3.06Å; N290-F403 PolarHBondContact O-N 2.96Å | ||
| 291 | E | 93.8 | Very high | 91.2 | Very high | 119 Ų | 119 | 59.5 Ų | 59.5 | 56% | 0.556 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 143 | 174.9 | -69.1 | 178.5 | -174.1 | 0 | 0 | 110 | V401 K402 | E291-V401 CarbonylContact C-O 3.55Å; E291-V401 VanDerWaalsContact CA-O 3.3Å; E291-V401 WeakPolarHBondContact CA-O 3.45Å; E291-K402 HydrophobicContact CG-CB 3.78Å; E291-K402 HydrophobicContact CG-CD 4.24Å; E291-K402 HydrophobicContact CG-CG 3.62Å; E291-K402 WeakPolarHBondContact OE1-CD 3.36Å; E291-K402 WeakPolarHBondContact OE1-CE 3.32Å; E291-K402 WeakPolarHBondContact OE1-CG 3.22Å |
| 292 | V | 94.8 | Very high | 90.1 | Very high | 9 Ų | 9 | 60.4 Ų | 60.4 | 6% | 0.055 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 135.1 | -179.3 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | V272 I284 N290 I294 V401 F403 | V272-V292 HydrophobicContact CG2-CG1 3.35Å; I284-V292 HydrophobicContact CG2-CB 4.33Å; I284-V292 HydrophobicContact CG2-CG1 4.19Å; I284-V292 HydrophobicContact CG2-CG2 4.34Å; N290-V292 VanDerWaalsContact ND2-CG2 3.35Å; N290-V292 WeakPolarHBondContact ND2-CG2 3.36Å; V292-I294 HydrophobicContact CG1-CG2 4.36Å; V292-V401 PolarHBondContact N-O 3.23Å; V292-V401 PolarHBondContact O-N 2.69Å; V292-F403 HydrophobicContact CG2-CE2 4.39Å |
| 293 | T | 94.9 | Very high | 88.9 | Confident | 45 Ų | 45 | 61.2 Ų | 61.2 | 28% | 0.276 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 116.6 | 175.2 | -54.1 | 0 | 0 | 0 | 0 | 109.8 | Q269 K398 A399 | Q269-T293 PolarHBondContact NE2-O 2.05Å; Q269-T293 PolarHBondContact OE1-O 2.94Å; T293-K398 HydrophobicContact CG2-CD 4.36Å; T293-K398 HydrophobicContact CG2-CG 3.84Å; T293-A399 CarbonylContact C-O 3.48Å; T293-A399 WeakPolarHBondContact CA-O 3.17Å |
| 294 | I | 94.9 | Very high | 87.8 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 151.5 | 174.2 | 56 | 167.1 | 0 | 0 | 0 | 111 | I284 V292 Y310 I312 L326 L384 F397 A399 V401 | I284-I294 HydrophobicContact CD1-CG2 4.19Å; I284-I294 HydrophobicContact CG1-CG2 3.81Å; V292-I294 HydrophobicContact CG1-CG2 4.36Å; I294-Y310 HydrophobicContact CB-CD1 4.49Å; I294-Y310 HydrophobicContact CD1-CD1 4.11Å; I294-Y310 HydrophobicContact CD1-CG 4.35Å; I294-I312 HydrophobicContact CD1-CD1 4.39Å; I294-L326 HydrophobicContact CD1-CD1 4.47Å; I294-L384 HydrophobicContact CD1-CD2 3.85Å; I294-F397 HydrophobicContact CD1-CE2 4.08Å; I294-F397 HydrophobicContact CD1-CZ 4.42Å; I294-F397 HydrophobicContact CG1-CE2 4.05Å; I294-A399 HydrophobicContact CG1-CB 4.16Å; I294-A399 PolarHBondContact N-O 3.17Å; I294-A399 PolarHBondContact O-N 2.79Å; I294-V401 HydrophobicContact CD1-CG2 3.81Å; I294-V401 HydrophobicContact CG1-CG2 3.91Å |
| 295 | M | 92.6 | Very high | 86.8 | Confident | 62 Ų | 62 | 62.3 Ų | 62.3 | 31% | 0.305 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 154.3 | -179.1 | -68.6 | 176.2 | 147.1 | 0 | 0 | 110.5 | L265 H299 Y310 F397 K398 | L265-M295 VanDerWaalsContact CD1-O 3.3Å; L265-M295 WeakPolarHBondContact CD1-O 3.45Å; M295-H299 HydrophobicContact CB-CB 4.12Å; M295-H299 WeakPolarHBondContact CE-CD2 3.17Å; M295-H299 HydrophobicContact SD-CB 4.42Å; M295-Y310 PolarHBondContact O-OH 3.44Å; M295-F397 CarbonylContact C-O 3.47Å; M295-F397 VanDerWaalsContact CA-O 3.28Å; M295-F397 WeakPolarHBondContact CA-O 3.23Å; M295-K398 HydrophobicContact CE-CB 4.02Å; M295-K398 HydrophobicContact CE-CD 3.32Å; M295-K398 HydrophobicContact CE-CG 3.49Å; M295-K398 VanDerWaalsContact CE-CG 3.49Å; M295-K398 HydrophobicContact CG-CB 4.09Å; M295-K398 HydrophobicContact CG-CG 3.86Å |
| 296 | S | 91.1 | Very high | 86.2 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 4% | 0.035 | 29% | 0.293 | C | S | . | . | trans | -65.5 | 156.2 | 165.5 | 58.3 | 0 | 0 | 0 | 0 | 112.1 | N298 H299 Y310 Q386 G396 F397 | S296-N298 PolarHBondContact O-N 2.98Å; S296-H299 WeakPolarHBondContact O-CB 3.14Å; S296-H299 PolarHBondContact O-N 2.85Å; S296-Y310 WeakPolarHBondContact CA-OH 3.38Å; S296-Q386 VanDerWaalsContact CB-OE1 3.22Å; S296-G396 VanDerWaalsContact OG-CA 3.29Å; S296-G396 WeakPolarHBondContact OG-CA 3.27Å; S296-F397 PolarHBondContact N-O 2.54Å; S296-F397 PolarHBondContact OG-N 3.33Å; S296-F397 PolarHBondContact OG-O 2.77Å | ||
| 297 | P | 89.3 | Confident | 86 | Confident | 4 Ų | 4 | 63.1 Ų | 63.1 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 140.8 | 173.1 | -28.3 | 35.9 | 0 | 0 | 0 | 113.5 | V260 L265 C280 H299 Y303 C308 | V260-P297 HydrophobicContact CB-CB 4.34Å; V260-P297 HydrophobicContact CG1-CB 3.83Å; V260-P297 HydrophobicContact CG1-CG 4.17Å; V260-P297 HydrophobicContact CG2-CB 3.55Å; V260-P297 HydrophobicContact CG2-CG 3.78Å; L265-P297 HydrophobicContact CD1-CG 4.43Å; C280-P297 HydrophobicContact CB-CG 3.84Å; P297-H299 PolarHBondContact O-N 2.78Å; P297-Y303 HydrophobicContact CB-CD1 4.19Å; P297-Y303 HydrophobicContact CB-CD2 3.85Å; P297-Y303 HydrophobicContact CB-CE2 4.36Å; P297-Y303 HydrophobicContact CB-CG 3.8Å; P297-C308 VanDerWaalsContact CG-SG 3.51Å |
| 298 | N | 84.4 | Confident | 86.2 | Confident | 66 Ų | 66 | 55.3 Ų | 55.3 | 35% | 0.353 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 9.1 | 179.6 | -71.9 | -4.9 | 0 | 0 | 0 | 116.9 | S296 R301 Y303 | S296-N298 PolarHBondContact O-N 2.98Å; N298-R301 CarbonylContact C-O 3.48Å; N298-R301 WeakPolarHBondContact O-CA 3.28Å; N298-R301 VanDerWaalsContact O-CB 3.32Å; N298-R301 WeakPolarHBondContact O-CB 3.44Å; N298-R301 PolarHBondContact O-N 3.06Å; N298-R301 VanDerWaalsContact O-O 3.11Å; N298-Y303 HydrophobicContact CB-CD2 4.22Å; N298-Y303 WeakPolarHBondContact ND2-CD2 3.29Å |
| 299 | H | 86.3 | Confident | 86.6 | Confident | 39 Ų | 39 | 50.2 Ų | 50.2 | 18% | 0.181 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | 134.6 | 178.4 | 179.3 | 84.3 | 0 | 0 | 0 | 112.1 | M295 S296 P297 H395 | M295-H299 HydrophobicContact CB-CB 4.12Å; M295-H299 WeakPolarHBondContact CE-CD2 3.17Å; M295-H299 HydrophobicContact SD-CB 4.42Å; S296-H299 WeakPolarHBondContact O-CB 3.14Å; S296-H299 PolarHBondContact O-N 2.85Å; P297-H299 PolarHBondContact O-N 2.78Å; H299-H395 PolarHBondContact ND1-O 2.49Å |
| 300 | P | 82.5 | Confident | 87.2 | Confident | 82 Ų | 82 | 46.7 Ų | 46.7 | 53% | 0.532 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -89 | 11 | 6.7 | 36.7 | -37.5 | 0 | 0 | 0 | 115.2 | H395 | P300-H395 PolarHBondContact O-ND1 2.77Š|
| 301 | R | 82.9 | Confident | 87.4 | Confident | 200 Ų | 200 | 47.6 Ų | 47.6 | 76% | 0.755 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -85 | 151.8 | 176.4 | -55.1 | -179.3 | -167.8 | 166.8 | 5.3 | 110.4 | N298 | N298-R301 CarbonylContact C-O 3.48Å; N298-R301 WeakPolarHBondContact O-CA 3.28Å; N298-R301 VanDerWaalsContact O-CB 3.32Å; N298-R301 WeakPolarHBondContact O-CB 3.44Å; N298-R301 PolarHBondContact O-N 3.06Å; N298-R301 VanDerWaalsContact O-O 3.11Å |
| 302 | S | 71.5 | Confident | 87.6 | Confident | 41 Ų | 41 | 42 Ų | 42 | 29% | 0.287 | 22% | 0.22 | S | C | . | . | trans | -65.2 | 141.3 | 174.9 | -29.6 | 0 | 0 | 0 | 0 | 110.6 | T392 D394 | S302-T392 PolarHBondContact OG-O 2.8Å; S302-D394 WeakPolarHBondContact CA-O 3.21Å; S302-D394 WeakPolarHBondContact CB-O 3.47Å; S302-D394 PolarHBondContact OG-O 2.88Å | ||
| 303 | Y | 72.7 | Confident | 87.6 | Confident | 19 Ų | 19 | 42.5 Ų | 42.5 | 8% | 0.075 | 22% | 0.222 | C | C | . | . | trans | -111.5 | 147.2 | 173.1 | -172.3 | -97.9 | 0 | 0 | 0 | 108.6 | D258 F259 V260 E279 P297 N298 A306 | D258-Y303 WeakPolarHBondContact O-CE2 3.48Å; F259-Y303 WeakPolarHBondContact CA-OH 3.41Å; V260-Y303 HydrophobicContact CB-CE2 4.38Å; V260-Y303 HydrophobicContact CG2-CD2 4.19Å; V260-Y303 HydrophobicContact CG2-CE1 3.89Å; V260-Y303 HydrophobicContact CG2-CE2 3.44Å; V260-Y303 VanDerWaalsContact CG2-CE2 3.44Å; V260-Y303 VanDerWaalsContact CG2-OH 3.26Å; V260-Y303 WeakPolarHBondContact CG2-OH 3.2Å; V260-Y303 PolarHBondContact N-OH 2.72Å; E279-Y303 PolarHBondContact OE1-OH 2.77Å; P297-Y303 HydrophobicContact CB-CD1 4.19Å; P297-Y303 HydrophobicContact CB-CD2 3.85Å; P297-Y303 HydrophobicContact CB-CE2 4.36Å; P297-Y303 HydrophobicContact CB-CG 3.8Å; N298-Y303 HydrophobicContact CB-CD2 4.22Å; N298-Y303 WeakPolarHBondContact ND2-CD2 3.29Å; Y303-A306 HydrophobicContact CD1-CB 3.65Å; Y303-A306 HydrophobicContact CE1-CB 3.48Å; Y303-A306 VanDerWaalsContact CE1-CB 3.48Å | ||
| 304 | P | 71.6 | Confident | 87.5 | Confident | 67 Ų | 67 | 40.9 Ų | 40.9 | 44% | 0.435 | 21% | 0.214 | S | C | . | . | trans | -53.6 | 176.8 | 169.7 | 12.8 | -24.4 | 0 | 0 | 0 | 113.4 | A306 T388 | P304-A306 PolarHBondContact O-N 2.81Å; P304-T388 PolarHBondContact O-OG1 2.83Å | ||
| 305 | T | 76.9 | Confident | 87.3 | Confident | 78 Ų | 78 | 43.2 Ų | 43.2 | 48% | 0.479 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -57.5 | 114.7 | 177.5 | 50.6 | 0 | 0 | 0 | 0 | 111.1 | T388 N390 | T305-T388 WeakPolarHBondContact CA-O 3.34Å; T305-T388 WeakPolarHBondContact CG2-O 3.38Å; T305-N390 WeakPolarHBondContact CG2-OD1 3.41Å |
| 306 | A | 83.3 | Confident | 87 | Confident | 7 Ų | 7 | 48.2 Ų | 48.2 | 6% | 0.058 | 25% | 0.247 | C | C | . | . | trans | -131.6 | 154.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y303 P304 R387 T388 | Y303-A306 HydrophobicContact CD1-CB 3.65Å; Y303-A306 HydrophobicContact CE1-CB 3.48Å; Y303-A306 VanDerWaalsContact CE1-CB 3.48Å; P304-A306 PolarHBondContact O-N 2.81Å; A306-R387 WeakPolarHBondContact O-CA 3.42Å; A306-T388 PolarHBondContact N-OG1 2.83Å; A306-T388 PolarHBondContact O-N 2.84Å; A306-T388 PolarHBondContact O-OG1 3.48Å | ||
| 307 | L | 90.6 | Very high | 86.6 | Confident | 93 Ų | 93 | 49.6 Ų | 49.6 | 49% | 0.487 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 105 | 167.1 | -179 | 66.3 | 0 | 0 | 0 | 107 | V385 Q386 R387 | L307-V385 HydrophobicContact CD1-CG1 3.6Å; L307-Q386 CarbonylContact C-O 3.53Å; L307-Q386 WeakPolarHBondContact CA-O 3.39Å; L307-R387 HydrophobicContact CD1-CB 4.13Å; L307-R387 HydrophobicContact CD1-CG 4.47Å |
| 308 | C | 93.7 | Very high | 86 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.007 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 133 | -179.7 | -51.5 | 0 | 0 | 0 | 0 | 110.1 | C280 D281 P297 Y310 Q386 | C280-C308 HydrophobicContact CB-CB 3.9Å; C280-C308 WeakPolarHBondContact CB-SG 3.38Å; C280-C308 WeakPolarHBondContact SG-CA 3.44Å; C280-C308 WeakPolarHBondContact SG-CB 3.2Å; C280-C308 CovalentContact SG-SG 2.02Å; C280-C308 PolarHBondContact SG-SG 3.04Å; D281-C308 WeakPolarHBondContact OD1-CA 3.29Å; P297-C308 VanDerWaalsContact CG-SG 3.51Å; C308-Y310 HydrophobicContact CB-CE2 3.77Å; C308-Q386 PolarHBondContact N-O 3.26Å; C308-Q386 PolarHBondContact O-N 2.87Å |
| 309 | T | 95.1 | Very high | 85.7 | Confident | 7 Ų | 7 | 52.5 Ų | 52.5 | 4% | 0.043 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 126.9 | 178.9 | -51.5 | 0 | 0 | 0 | 0 | 110.3 | D281 L282 Y311 M354 I383 L384 V385 | D281-T309 CarbonylContact C-O 3.34Å; D281-T309 WeakPolarHBondContact CA-O 3.3Å; D281-T309 WeakPolarHBondContact CB-O 3.29Å; D281-T309 PolarHBondContact OD1-N 3.34Å; L282-T309 PolarHBondContact N-O 3.07Å; T309-Y311 HydrophobicContact CG2-CD1 4.33Å; T309-Y311 HydrophobicContact CG2-CD2 4.11Å; T309-Y311 HydrophobicContact CG2-CE1 3.85Å; T309-Y311 HydrophobicContact CG2-CE2 3.58Å; T309-Y311 HydrophobicContact CG2-CG 4.47Å; T309-Y311 VanDerWaalsContact CG2-CZ 3.45Å; T309-M354 HydrophobicContact CG2-CE 3.76Å; T309-M354 HydrophobicContact CG2-SD 3.51Å; T309-M354 VanDerWaalsContact CG2-SD 3.51Å; T309-I383 HydrophobicContact CG2-CG2 3.57Å; T309-L384 CarbonylContact C-O 3.56Å; T309-L384 WeakPolarHBondContact CA-O 3.17Å; T309-V385 HydrophobicContact CG2-CG2 4.3Å |
| 310 | Y | 96.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 105.4 | 178.6 | -54.7 | -101.5 | 0 | 0 | 0 | 107.9 | L282 I284 I294 M295 S296 C308 I312 L384 Q386 F397 | L282-Y310 HydrophobicContact CB-CD1 4.01Å; L282-Y310 HydrophobicContact CD1-CD1 3.84Å; L282-Y310 HydrophobicContact CD1-CE1 3.68Å; L282-Y310 HydrophobicContact CG-CD1 4.16Å; L282-Y310 HydrophobicContact CG-CE1 4.16Å; L282-Y310 CarbonylContact O-C 3.55Å; L282-Y310 WeakPolarHBondContact O-CA 3.35Å; I284-Y310 HydrophobicContact CD1-CD1 4.3Å; I294-Y310 HydrophobicContact CB-CD1 4.49Å; I294-Y310 HydrophobicContact CD1-CD1 4.11Å; I294-Y310 HydrophobicContact CD1-CG 4.35Å; M295-Y310 PolarHBondContact O-OH 3.44Å; S296-Y310 WeakPolarHBondContact CA-OH 3.38Å; C308-Y310 HydrophobicContact CB-CE2 3.77Å; Y310-I312 PolarHBondContact O-N 2.84Å; Y310-L384 HydrophobicContact CD2-CB 4.42Å; Y310-L384 HydrophobicContact CD2-CD2 3.94Å; Y310-L384 HydrophobicContact CD2-CG 3.84Å; Y310-L384 HydrophobicContact CG-CD2 4.22Å; Y310-L384 HydrophobicContact CG-CG 4.39Å; Y310-L384 PolarHBondContact N-O 2.88Å; Y310-L384 PolarHBondContact O-N 2.7Å; Y310-Q386 HydrophobicContact CE2-CB 4.14Å; Y310-Q386 PolarHBondContact OH-OE1 3.01Å; Y310-F397 HydrophobicContact CD2-CZ 4.21Å; Y310-F397 HydrophobicContact CE1-CZ 4.06Å; Y310-F397 AromaticContact CE2-CE1 3.83Å; Y310-F397 HydrophobicContact CE2-CE1 3.83Å; Y310-F397 AromaticContact CE2-CZ 3.65Å; Y310-F397 HydrophobicContact CE2-CZ 3.65Å; Y310-F397 AromaticContact CZ-CE1 3.95Å; Y310-F397 AromaticContact CZ-CZ 3.58Å |
| 311 | Y | 96.7 | Very high | 85.4 | Confident | 53 Ų | 53 | 50.3 Ų | 50.3 | 21% | 0.208 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 103.9 | 176 | -61.3 | -80.9 | 0 | 0 | 0 | 109.2 | L275 L282 R283 I284 T309 M354 R381 I383 | L275-Y311 HydrophobicContact CD1-CD2 4.14Å; L275-Y311 HydrophobicContact CD2-CD2 3.86Å; L275-Y311 HydrophobicContact CD2-CE2 3.59Å; L282-Y311 PolarHBondContact O-N 2.87Å; R283-Y311 WeakPolarHBondContact CA-O 3.06Å; I284-Y311 PolarHBondContact N-O 2.68Å; T309-Y311 HydrophobicContact CG2-CD1 4.33Å; T309-Y311 HydrophobicContact CG2-CD2 4.11Å; T309-Y311 HydrophobicContact CG2-CE1 3.85Å; T309-Y311 HydrophobicContact CG2-CE2 3.58Å; T309-Y311 HydrophobicContact CG2-CG 4.47Å; T309-Y311 VanDerWaalsContact CG2-CZ 3.45Å; Y311-M354 HydrophobicContact CE1-SD 4.32Å; Y311-R381 VanDerWaalsContact CD1-NH2 3.33Å; Y311-I383 HydrophobicContact CD1-CD1 4.16Å; Y311-I383 HydrophobicContact CD1-CG1 4.07Å; Y311-I383 HydrophobicContact CD1-CG2 4.23Å; Y311-I383 HydrophobicContact CE1-CD1 4.23Å; Y311-I383 HydrophobicContact CE1-CG2 4.31Å |
| 312 | I | 97 | Very high | 85.8 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 106.5 | -176.8 | -52.4 | 164.9 | 0 | 0 | 0 | 108.5 | I284 I294 Y310 V324 R381 M382 V401 F403 | I284-I312 HydrophobicContact CB-CG1 4.4Å; I284-I312 HydrophobicContact CB-CG2 4.49Å; I284-I312 HydrophobicContact CD1-CG1 4.13Å; I294-I312 HydrophobicContact CD1-CD1 4.39Å; Y310-I312 PolarHBondContact O-N 2.84Å; I312-V324 HydrophobicContact CB-CG1 4.39Å; I312-V324 HydrophobicContact CG2-CB 4.43Å; I312-V324 HydrophobicContact CG2-CG1 3.61Å; I312-V324 HydrophobicContact CG2-CG2 3.9Å; I312-R381 WeakPolarHBondContact O-CA 3.35Å; I312-M382 WeakPolarHBondContact CA-O 3Å; I312-M382 HydrophobicContact CB-CB 4.37Å; I312-M382 WeakPolarHBondContact CB-O 3.46Å; I312-M382 PolarHBondContact N-O 2.81Å; I312-M382 PolarHBondContact O-N 3.42Å; I312-V401 HydrophobicContact CD1-CG2 3.91Å; I312-V401 HydrophobicContact CG2-CG1 3.54Å; I312-F403 HydrophobicContact CG2-CE1 3.69Å; I312-F403 HydrophobicContact CG2-CZ 3.65Å |
| 313 | D | 95.3 | Very high | 86.7 | Confident | 20 Ų | 20 | 40.6 Ų | 40.6 | 11% | 0.107 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 107.8 | -177.5 | -56.8 | -32.9 | 0 | 0 | 0 | 109.9 | R283 I284 L285 S286 R381 | R283-D313 IonicContact CZ-OD2 3.54Å; R283-D313 IonicContact NE-OD2 3.49Å; R283-D313 PolarHBondContact NE-OD2 3.41Å; R283-D313 IonicContact NH2-OD2 2.71Å; R283-D313 PolarHBondContact NH2-OD2 3.35Å; I284-D313 PolarHBondContact O-N 2.81Å; L285-D313 HydrophobicContact CD2-CB 3.79Å; S286-D313 PolarHBondContact N-O 3.04Å; D313-R381 WeakPolarHBondContact OD1-CD 3.21Å; D313-R381 WeakPolarHBondContact OD1-CG 3.25Å; D313-R381 IonicContact OD1-CZ 3.93Å; D313-R381 IonicContact OD1-NE 3.39Å; D313-R381 PolarHBondContact OD1-NE 2.94Å; D313-R381 IonicContact OD1-NH2 2.81Å |
| 314 | G | 93.3 | Very high | 87.8 | Confident | 11 Ų | 11 | 39.7 Ų | 39.7 | 11% | 0.113 | 22% | 0.224 | C | C | . | . | trans | -72.3 | 167.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K316 P380 | G314-K316 PolarHBondContact O-N 2.79Å; G314-P380 WeakPolarHBondContact CA-O 3.3Å; G314-P380 PolarHBondContact N-O 2.82Å | ||
| 315 | L | 90 | Very high | 88.9 | Confident | 52 Ų | 52 | 37.6 Ų | 37.6 | 27% | 0.272 | 21% | 0.209 | S | C | . | . | trans | -67.4 | 130.4 | 176.9 | -64.5 | 178.8 | 0 | 0 | 0 | 110.9 | K288 D320 E322 | K288-L315 HydrophobicContact CB-CD1 3.74Å; K288-L315 HydrophobicContact CG-CD1 4.25Å; L315-D320 HydrophobicContact CB-CB 3.79Å; L315-D320 HydrophobicContact CD1-CB 4.13Å; L315-E322 HydrophobicContact CB-CG 4.11Å; L315-E322 PolarHBondContact N-OE2 3.1Å; L315-E322 PolarHBondContact O-N 2.92Å | ||
| 316 | K | 86.4 | Confident | 89.8 | Confident | 168 Ų | 168 | 33.9 Ų | 33.9 | 73% | 0.73 | 19% | 0.187 | S | C | * | . | B | Isolated β-bridge | trans | -133.4 | 103.9 | 170.8 | -170.9 | -171.8 | -174.9 | 175.2 | 0 | 108.8 | G314 P380 | G314-K316 PolarHBondContact O-N 2.79Å; K316-P380 HydrophobicContact CB-CB 4.08Å; K316-P380 HydrophobicContact CB-CG 3.84Å; K316-P380 HydrophobicContact CD-CG 3.81Å; K316-P380 HydrophobicContact CG-CG 3.98Å |
| 317 | G | 83.5 | Confident | 90.5 | Very high | 33 Ų | 33 | 37 Ų | 37 | 34% | 0.34 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -144.3 | -168.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q319 D320 R438 | G317-Q319 PolarHBondContact O-N 3.13Å; G317-D320 PolarHBondContact N-O 3.12Å; G317-R438 PolarHBondContact O-NH2 3.02Å |
| 318 | A | 76.6 | Confident | 90.7 | Very high | 73 Ų | 73 | 33.6 Ų | 33.6 | 60% | 0.603 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -72.4 | -19.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R438 | A318-R438 PolarHBondContact O-NH1 2.82Š|
| 319 | Q | 77.3 | Confident | 90.7 | Very high | 58 Ų | 58 | 38.1 Ų | 38.1 | 27% | 0.271 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -113.6 | -39.6 | -177.9 | -66.3 | -54.2 | -39.8 | 0 | 0 | 112.6 | G317 | G317-Q319 PolarHBondContact O-N 3.13Š|
| 320 | D | 80.2 | Confident | 90.5 | Very high | 45 Ų | 45 | 40.8 Ų | 40.8 | 24% | 0.241 | 22% | 0.219 | C | C | . | . | trans | -105.2 | 131.1 | -174.8 | -44.9 | -85.5 | 0 | 0 | 0 | 109.9 | K288 L315 G317 | K288-D320 IonicContact NZ-OD1 3.72Å; K288-D320 PolarHBondContact NZ-OD1 3.14Å; L315-D320 HydrophobicContact CB-CB 3.79Å; L315-D320 HydrophobicContact CD1-CB 4.13Å; G317-D320 PolarHBondContact N-O 3.12Å | ||
| 321 | L | 83.5 | Confident | 90.2 | Very high | 31 Ų | 31 | 42.2 Ų | 42.2 | 16% | 0.162 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -131.6 | 114.7 | 164.8 | 176.8 | 64.7 | 0 | 0 | 0 | 105.9 | P380 D406 R438 | L321-P380 HydrophobicContact CD1-CG 4.34Å; L321-D406 WeakPolarHBondContact CD2-O 3.12Å; L321-D406 HydrophobicContact CG-CB 4.31Å; L321-D406 PolarHBondContact O-N 3.43Å; L321-R438 HydrophobicContact CB-CG 4.23Å; L321-R438 HydrophobicContact CD2-CG 4.08Å |
| 322 | E | 90.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 158.8 | 177.6 | -68.8 | 178.8 | 158 | 0 | 0 | 111.2 | S286 K288 E289 L315 P380 E404 | S286-E322 WeakPolarHBondContact CB-OE2 3.15Å; S286-E322 VanDerWaalsContact OG-CD 3.32Å; S286-E322 PolarHBondContact OG-OE1 2.6Å; S286-E322 PolarHBondContact OG-OE2 3.36Å; K288-E322 VanDerWaalsContact CA-OE1 3.3Å; K288-E322 WeakPolarHBondContact CA-OE1 3.19Å; E289-E322 PolarHBondContact N-OE1 2.86Å; L315-E322 HydrophobicContact CB-CG 4.11Å; L315-E322 PolarHBondContact N-OE2 3.1Å; L315-E322 PolarHBondContact O-N 2.92Å; E322-P380 WeakPolarHBondContact O-CA 3.48Å; E322-P380 VanDerWaalsContact O-CB 3.32Å; E322-P380 WeakPolarHBondContact O-CB 3.17Å; E322-E404 CarbonylContact C-O 3.54Å; E322-E404 WeakPolarHBondContact CA-O 3.38Å; E322-E404 WeakPolarHBondContact CB-O 3.47Å |
| 323 | K | 91 | Very high | 89.3 | Confident | 35 Ų | 35 | 42.3 Ų | 42.3 | 15% | 0.152 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 160.5 | 162.5 | 62.1 | -179.6 | -171.9 | 177.1 | 0 | 109.3 | E376 E404 D406 | K323-E376 HydrophobicContact CD-CG 4.1Å; K323-E376 WeakPolarHBondContact CD-OE1 3.38Å; K323-E376 WeakPolarHBondContact CE-OE1 3.27Å; K323-E376 IonicContact NZ-OE1 2.97Å; K323-E376 PolarHBondContact NZ-OE1 3.18Å; K323-E376 IonicContact NZ-OE2 3.79Å; K323-E404 WeakPolarHBondContact CE-OE2 3.37Å; K323-E404 HydrophobicContact CG-CB 4.21Å; K323-E404 PolarHBondContact N-O 3.41Å; K323-E404 IonicContact NZ-OE2 3.19Å; K323-E404 PolarHBondContact O-N 2.83Å; K323-E404 VanDerWaalsContact O-N 3.08Å; K323-D406 HydrophobicContact CB-CB 4.02Å; K323-D406 HydrophobicContact CD-CB 4.23Å; K323-D406 HydrophobicContact CG-CB 4.08Å |
| 324 | V | 94.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 126.3 | -179.7 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | I312 E376 S377 M382 V401 F403 | I312-V324 HydrophobicContact CB-CG1 4.39Å; I312-V324 HydrophobicContact CG2-CB 4.43Å; I312-V324 HydrophobicContact CG2-CG1 3.61Å; I312-V324 HydrophobicContact CG2-CG2 3.9Å; V324-E376 WeakPolarHBondContact O-CA 3.38Å; V324-S377 WeakPolarHBondContact CB-OG 3.27Å; V324-S377 PolarHBondContact N-OG 3.5Å; V324-S377 PolarHBondContact O-N 3.39Å; V324-S377 PolarHBondContact O-OG 2.9Å; V324-M382 HydrophobicContact CB-CB 4.09Å; V324-M382 HydrophobicContact CB-CE 4.23Å; V324-M382 HydrophobicContact CG1-CB 4.03Å; V324-M382 HydrophobicContact CG1-CE 4.13Å; V324-M382 HydrophobicContact CG1-SD 4.27Å; V324-M382 HydrophobicContact CG2-CB 4.33Å; V324-V401 HydrophobicContact CG1-CG1 3.93Å; V324-F403 HydrophobicContact CG2-CD1 4.1Å; V324-F403 HydrophobicContact CG2-CE1 3.9Å |
| 325 | L | 95 | Very high | 88.4 | Confident | 23 Ų | 23 | 44.1 Ų | 44.1 | 12% | 0.12 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 124.9 | 168.2 | -60.4 | -175.4 | 0 | 0 | 0 | 108.9 | T374 V375 E376 V401 K402 E404 | L325-T374 HydrophobicContact CB-CG2 3.83Å; L325-T374 HydrophobicContact CD2-CG2 4.13Å; L325-T374 HydrophobicContact CG-CG2 4.4Å; L325-V375 WeakPolarHBondContact CA-O 3.39Å; L325-E376 HydrophobicContact CD2-CB 3.74Å; L325-E376 HydrophobicContact CD2-CG 3.73Å; L325-V401 CarbonylContact O-C 3.55Å; L325-V401 WeakPolarHBondContact O-CA 3.08Å; L325-K402 HydrophobicContact CB-CB 4.2Å; L325-K402 HydrophobicContact CD1-CD 4.42Å; L325-K402 PolarHBondContact N-O 3Å; L325-K402 PolarHBondContact O-N 3.3Å; L325-E404 HydrophobicContact CD1-CG 3.93Å; L325-E404 VanDerWaalsContact CD1-OE1 3.32Å; L325-E404 WeakPolarHBondContact CD1-OE1 3.32Å; L325-E404 WeakPolarHBondContact CD1-OE2 3.39Å |
| 326 | L | 97 | Very high | 87.9 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 118.9 | 179.1 | -179.8 | 70.4 | 0 | 0 | 0 | 109.4 | I294 F328 L347 T374 V375 M382 A399 V401 | I294-L326 HydrophobicContact CD1-CD1 4.47Å; L326-F328 HydrophobicContact CD2-CE2 3.61Å; L326-F328 HydrophobicContact CD2-CZ 3.68Å; L326-F328 HydrophobicContact CG-CD2 4.5Å; L326-F328 HydrophobicContact CG-CE2 3.99Å; L326-F328 HydrophobicContact CG-CZ 4.26Å; L326-L347 HydrophobicContact CD2-CD1 4.29Å; L326-L347 HydrophobicContact CD2-CD2 3.59Å; L326-T374 WeakPolarHBondContact O-CA 3.47Å; L326-V375 HydrophobicContact CB-CB 4.44Å; L326-V375 PolarHBondContact N-O 3.15Å; L326-V375 PolarHBondContact O-N 3.24Å; L326-M382 HydrophobicContact CB-CE 4.32Å; L326-M382 HydrophobicContact CB-SD 3.86Å; L326-M382 HydrophobicContact CD2-SD 3.91Å; L326-A399 HydrophobicContact CD1-CB 3.72Å; L326-V401 HydrophobicContact CD1-CG2 3.75Å |
| 327 | H | 96.6 | Very high | 87.7 | Confident | 73 Ų | 73 | 43.2 Ų | 43.2 | 34% | 0.338 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 124.7 | 175 | 177 | 63.8 | 0 | 0 | 0 | 110 | E329 D373 A399 V400 | H327-E329 PolarHBondContact O-N 3.3Å; H327-D373 PolarHBondContact ND1-O 3.14Å; H327-A399 CarbonylContact O-C 3.49Å; H327-A399 WeakPolarHBondContact O-CA 3.16Å; H327-A399 WeakPolarHBondContact O-CB 3.47Å; H327-V400 PolarHBondContact N-O 3.4Å; H327-V400 PolarHBondContact O-N 2.78Å |
| 328 | F | 95.2 | Very high | 87.4 | Confident | 22 Ų | 22 | 50.4 Ų | 50.4 | 10% | 0.096 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 108.3 | 174.7 | -70.1 | -86.3 | 0 | 0 | 0 | 109.9 | L326 V330 L331 I345 L371 L384 F397 A399 | L326-F328 HydrophobicContact CD2-CE2 3.61Å; L326-F328 HydrophobicContact CD2-CZ 3.68Å; L326-F328 HydrophobicContact CG-CD2 4.5Å; L326-F328 HydrophobicContact CG-CE2 3.99Å; L326-F328 HydrophobicContact CG-CZ 4.26Å; F328-V330 VanDerWaalsContact C-N 3.34Å; F328-L331 HydrophobicContact CB-CB 4.16Å; F328-L331 HydrophobicContact CD1-CB 4.21Å; F328-L331 HydrophobicContact CD1-CD1 4.27Å; F328-L331 HydrophobicContact CD1-CD2 4.06Å; F328-L331 HydrophobicContact CD1-CG 4.43Å; F328-L331 HydrophobicContact CD2-CD2 4.36Å; F328-L331 HydrophobicContact CE1-CD1 4.39Å; F328-L331 HydrophobicContact CE1-CD2 4.36Å; F328-L331 HydrophobicContact CG-CB 4.35Å; F328-L331 HydrophobicContact CG-CD2 4.06Å; F328-I345 HydrophobicContact CD1-CD1 4.39Å; F328-I345 HydrophobicContact CE1-CD1 3.47Å; F328-I345 VanDerWaalsContact CE1-CD1 3.47Å; F328-I345 HydrophobicContact CZ-CD1 3.74Å; F328-I345 HydrophobicContact CZ-CG2 4.05Å; F328-L371 HydrophobicContact CD2-CD2 3.8Å; F328-L371 HydrophobicContact CE2-CD1 4.5Å; F328-L371 HydrophobicContact CE2-CD2 4.36Å; F328-L371 HydrophobicContact CG-CD2 4.39Å; F328-L384 HydrophobicContact CZ-CD1 4.32Å; F328-F397 HydrophobicContact CD1-CB 4.08Å; F328-F397 HydrophobicContact CD1-CD2 4.12Å; F328-F397 HydrophobicContact CD1-CG 4.32Å; F328-F397 HydrophobicContact CE1-CB 4.18Å; F328-F397 AromaticContact CE1-CD2 3.85Å; F328-F397 HydrophobicContact CE1-CD2 3.85Å; F328-F397 HydrophobicContact CE1-CE2 4.45Å; F328-F397 HydrophobicContact CE1-CG 4.01Å; F328-A399 HydrophobicContact CD1-CB 3.75Å; F328-A399 HydrophobicContact CE1-CB 3.98Å; F328-A399 HydrophobicContact CG-CB 4.29Å |
| 329 | E | 94.1 | Very high | 87.7 | Confident | 96 Ų | 96 | 52.7 Ų | 52.7 | 45% | 0.449 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | -39 | 170.3 | -68.8 | -174 | 167.4 | 0 | 0 | 110.9 | H327 K398 V400 | H327-E329 PolarHBondContact O-N 3.3Å; E329-K398 PolarHBondContact N-O 2.91Å; E329-K398 WeakPolarHBondContact OE2-CD 3.34Å; E329-K398 WeakPolarHBondContact OE2-CE 3.43Å; E329-K398 IonicContact OE2-NZ 3.84Å; E329-K398 PolarHBondContact OE2-NZ 3.05Å; E329-V400 HydrophobicContact CG-CG2 4Å; E329-V400 WeakPolarHBondContact OE1-CG2 3.36Å |
| 330 | V | 90.9 | Very high | 88.2 | Confident | 63 Ų | 63 | 50.2 Ų | 50.2 | 38% | 0.382 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 132.8 | 176.7 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | F328 F397 K398 | F328-V330 VanDerWaalsContact C-N 3.34Å; V330-F397 CarbonylContact O-C 3.53Å; V330-F397 WeakPolarHBondContact O-CA 3.47Å; V330-F397 WeakPolarHBondContact O-CB 3.42Å; V330-K398 HydrophobicContact CB-CB 4.28Å; V330-K398 PolarHBondContact N-O 2.88Å; V330-K398 VanDerWaalsContact N-O 3.09Å; V330-K398 PolarHBondContact O-N 3.4Å |
| 331 | L | 90.6 | Very high | 88.6 | Confident | 30 Ų | 30 | 52.7 Ų | 52.7 | 16% | 0.157 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 114.7 | 172.6 | -179.1 | 54.7 | 0 | 0 | 0 | 109.9 | F328 L333 I345 L368 L371 F397 | F328-L331 HydrophobicContact CB-CB 4.16Å; F328-L331 HydrophobicContact CD1-CB 4.21Å; F328-L331 HydrophobicContact CD1-CD1 4.27Å; F328-L331 HydrophobicContact CD1-CD2 4.06Å; F328-L331 HydrophobicContact CD1-CG 4.43Å; F328-L331 HydrophobicContact CD2-CD2 4.36Å; F328-L331 HydrophobicContact CE1-CD1 4.39Å; F328-L331 HydrophobicContact CE1-CD2 4.36Å; F328-L331 HydrophobicContact CG-CB 4.35Å; F328-L331 HydrophobicContact CG-CD2 4.06Å; L331-L333 HydrophobicContact CD1-CD2 3.79Å; L331-L333 HydrophobicContact CG-CD2 4.38Å; L331-I345 HydrophobicContact CD1-CD1 3.25Å; L331-I345 HydrophobicContact CD1-CG1 4.15Å; L331-I345 HydrophobicContact CD2-CD1 4.15Å; L331-I345 HydrophobicContact CG-CD1 4.36Å; L331-L368 HydrophobicContact CD2-CD1 3.39Å; L331-L368 HydrophobicContact CD2-CG 4.38Å; L331-L368 HydrophobicContact CG-CD1 3.84Å; L331-L368 HydrophobicContact CG-CD2 4.29Å; L331-L371 HydrophobicContact CD2-CD2 3.65Å; L331-F397 HydrophobicContact CD1-CB 3.65Å |
| 332 | S | 87.9 | Confident | 88.8 | Confident | 36 Ų | 36 | 52.8 Ų | 52.8 | 25% | 0.252 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 110.7 | -178.5 | 179 | 0 | 0 | 0 | 0 | 109.5 | G396 | S332-G396 PolarHBondContact N-O 2.84Å; S332-G396 WeakPolarHBondContact O-CA 3.3Å; S332-G396 PolarHBondContact O-N 3.31Å |
| 333 | L | 86.2 | Confident | 88.8 | Confident | 18 Ų | 18 | 52.7 Ų | 52.7 | 9% | 0.094 | 28% | 0.275 | C | S | . | . | trans | -146.8 | 140.4 | 178.6 | 68.2 | 90.7 | 0 | 0 | 0 | 109.4 | L331 A343 I345 C364 S365 | L331-L333 HydrophobicContact CD1-CD2 3.79Å; L331-L333 HydrophobicContact CG-CD2 4.38Å; L333-A343 HydrophobicContact CD1-CB 4.44Å; L333-I345 HydrophobicContact CD2-CD1 4.5Å; L333-I345 HydrophobicContact CD2-CG1 3.96Å; L333-C364 HydrophobicContact CD1-CB 3.62Å; L333-S365 WeakPolarHBondContact O-CB 3.32Å | ||
| 334 | T | 84.5 | Confident | 88.8 | Confident | 57 Ų | 57 | 52 Ų | 52 | 35% | 0.35 | 27% | 0.272 | S | S | . | . | trans | -115.8 | 106.6 | -175.2 | -51 | 0 | 0 | 0 | 0 | 109.1 | S393 D394 | T334-S393 PolarHBondContact OG1-OG 2.78Å; T334-D394 WeakPolarHBondContact CA-OD1 3.46Å; T334-D394 WeakPolarHBondContact CB-OD1 3.44Å; T334-D394 PolarHBondContact N-OD1 2.71Å; T334-D394 PolarHBondContact N-OD2 2.94Å; T334-D394 PolarHBondContact OG1-OD1 3.16Å | ||
| 335 | S | 84.2 | Confident | 88.8 | Confident | 12 Ų | 12 | 52 Ų | 52 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | trans | -89.8 | 129.9 | 171.7 | -178.7 | 0 | 0 | 0 | 0 | 109.8 | Q337 D342 S365 | S335-Q337 PolarHBondContact OG-N 3.15Å; S335-Q337 PolarHBondContact OG-O 3.14Å; S335-D342 PolarHBondContact OG-OD1 3.13Å; S335-S365 PolarHBondContact N-OG 2.98Å; S335-S365 PolarHBondContact O-OG 3.42Å | ||
| 336 | S | 80.2 | Confident | 88.8 | Confident | 107 Ų | 107 | 51.1 Ų | 51.1 | 75% | 0.748 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -81.4 | -19.8 | 171.1 | 68.6 | 0 | 0 | 0 | 0 | 112 | D342 | S336-D342 WeakPolarHBondContact CA-OD2 2.98Å; S336-D342 VanDerWaalsContact CB-OD2 3.31Å; S336-D342 WeakPolarHBondContact CB-OD2 3Å; S336-D342 PolarHBondContact N-OD2 2.95Å; S336-D342 PolarHBondContact OG-OD2 3.33Å |
| 337 | Q | 81.9 | Confident | 88.7 | Confident | 94 Ų | 94 | 51.1 Ų | 51.1 | 44% | 0.439 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -103.8 | 148.4 | -179.6 | -57.2 | -170.7 | 1.2 | 0 | 0 | 112.2 | S335 D339 D342 | S335-Q337 PolarHBondContact OG-N 3.15Å; S335-Q337 PolarHBondContact OG-O 3.14Å; Q337-D339 VanDerWaalsContact C-N 3.34Å; Q337-D342 WeakPolarHBondContact CB-OD1 3.16Å; Q337-D342 PolarHBondContact N-OD1 3.4Å |
| 338 | K | 77.9 | Confident | 88.7 | Confident | 184 Ų | 184 | 48 Ų | 48 | 80% | 0.8 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -32.1 | 176.9 | -76.4 | -172.4 | 177.1 | -178 | 0 | 113 | C340 | K338-C340 PolarHBondContact O-N 3.09Š|
| 339 | D | 83.5 | Confident | 88.6 | Confident | 121 Ų | 121 | 47.8 Ų | 47.8 | 65% | 0.647 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 7 | -176.7 | -58.5 | -31.4 | 0 | 0 | 0 | 113.1 | Q337 E341 K362 | Q337-D339 VanDerWaalsContact C-N 3.34Å; D339-E341 HydrophobicContact CB-CG 4.24Å; D339-E341 PolarHBondContact O-N 3.36Å; D339-K362 PolarHBondContact O-NZ 3.49Å |
| 340 | C | 87.6 | Confident | 88.3 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 4% | 0.041 | 25% | 0.25 | C | C | . | . | trans | 57.6 | 31.1 | 178.1 | -50.7 | 0 | 0 | 0 | 0 | 113.6 | K338 H344 K362 C364 | K338-C340 PolarHBondContact O-N 3.09Å; C340-H344 HydrophobicContact CB-CB 3.99Å; C340-H344 WeakPolarHBondContact O-CB 3.46Å; C340-H344 PolarHBondContact O-ND1 3.28Å; C340-K362 HydrophobicContact CB-CD 4.38Å; C340-K362 WeakPolarHBondContact O-CE 3.23Å; C340-K362 PolarHBondContact O-NZ 3.27Å; C340-K362 VanDerWaalsContact O-NZ 3.17Å; C340-C364 HydrophobicContact CB-CB 3.46Å; C340-C364 VanDerWaalsContact CB-CB 3.46Å; C340-C364 WeakPolarHBondContact CB-SG 3.37Å; C340-C364 WeakPolarHBondContact SG-CB 3.14Å; C340-C364 CovalentContact SG-SG 2.03Å; C340-C364 PolarHBondContact SG-SG 3.37Å | ||
| 341 | E | 87.7 | Confident | 87.8 | Confident | 98 Ų | 98 | 44.3 Ų | 44.3 | 46% | 0.458 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -78.6 | -31.2 | -177 | -70 | -57.5 | 140.7 | 0 | 0 | 113.1 | D339 K362 R387 | D339-E341 HydrophobicContact CB-CG 4.24Å; D339-E341 PolarHBondContact O-N 3.36Å; E341-K362 VanDerWaalsContact CD-NZ 3.31Å; E341-K362 IonicContact OE1-NZ 3.89Å; E341-K362 PolarHBondContact OE1-NZ 2.79Å; E341-K362 IonicContact OE2-NZ 2.69Å; E341-R387 VanDerWaalsContact O-CD 3.3Å; E341-R387 WeakPolarHBondContact O-CD 2.96Å; E341-R387 PolarHBondContact O-NE 2.81Å; E341-R387 VanDerWaalsContact O-NE 3.16Å |
| 342 | D | 87.7 | Confident | 87.4 | Confident | 32 Ų | 32 | 44.8 Ų | 44.8 | 17% | 0.171 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -84.3 | -38.5 | -177.3 | 59.6 | -42.8 | 0 | 0 | 0 | 113.2 | S335 S336 Q337 | S335-D342 PolarHBondContact OG-OD1 3.13Å; S336-D342 WeakPolarHBondContact CA-OD2 2.98Å; S336-D342 VanDerWaalsContact CB-OD2 3.31Å; S336-D342 WeakPolarHBondContact CB-OD2 3Å; S336-D342 PolarHBondContact N-OD2 2.95Å; S336-D342 PolarHBondContact OG-OD2 3.33Å; Q337-D342 WeakPolarHBondContact CB-OD1 3.16Å; Q337-D342 PolarHBondContact N-OD1 3.4Å |
| 343 | A | 89.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -142.9 | 124.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L333 C364 R387 | L333-A343 HydrophobicContact CD1-CB 4.44Å; A343-C364 VanDerWaalsContact O-CB 3.23Å; A343-C364 WeakPolarHBondContact O-CB 3.26Å; A343-R387 CarbonylContact C-O 3.47Å; A343-R387 VanDerWaalsContact CA-O 3.26Å; A343-R387 WeakPolarHBondContact CA-O 3.11Å |
| 344 | H | 92.6 | Very high | 86.9 | Confident | 20 Ų | 20 | 49.3 Ų | 49.3 | 9% | 0.093 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 162.8 | 179.8 | 63 | -94.6 | 0 | 0 | 0 | 113.5 | C340 K362 Y363 C364 R387 | C340-H344 HydrophobicContact CB-CB 3.99Å; C340-H344 WeakPolarHBondContact O-CB 3.46Å; C340-H344 PolarHBondContact O-ND1 3.28Å; H344-K362 HydrophobicContact CB-CG 4.17Å; H344-Y363 CarbonylContact C-O 3.38Å; H344-Y363 VanDerWaalsContact CA-O 3.27Å; H344-Y363 WeakPolarHBondContact CA-O 3.25Å; H344-Y363 WeakPolarHBondContact CB-O 3.26Å; H344-C364 HydrophobicContact CB-CB 4.48Å; H344-R387 PolarHBondContact N-O 3.33Å; H344-R387 PolarHBondContact O-N 2.83Å |
| 345 | I | 93.9 | Very high | 86.6 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 126.1 | 157.2 | -75.8 | -165.9 | 0 | 0 | 0 | 108.7 | F328 L331 L333 L347 K362 Y363 L384 V385 F397 | F328-I345 HydrophobicContact CD1-CD1 4.39Å; F328-I345 HydrophobicContact CE1-CD1 3.47Å; F328-I345 VanDerWaalsContact CE1-CD1 3.47Å; F328-I345 HydrophobicContact CZ-CD1 3.74Å; F328-I345 HydrophobicContact CZ-CG2 4.05Å; L331-I345 HydrophobicContact CD1-CD1 3.25Å; L331-I345 HydrophobicContact CD1-CG1 4.15Å; L331-I345 HydrophobicContact CD2-CD1 4.15Å; L331-I345 HydrophobicContact CG-CD1 4.36Å; L333-I345 HydrophobicContact CD2-CD1 4.5Å; L333-I345 HydrophobicContact CD2-CG1 3.96Å; I345-L347 HydrophobicContact CG2-CD2 4.28Å; I345-L347 HydrophobicContact CG2-CG 4.21Å; I345-K362 CarbonylContact O-C 3.48Å; I345-K362 WeakPolarHBondContact O-CA 3.35Å; I345-Y363 PolarHBondContact N-O 3.17Å; I345-Y363 PolarHBondContact O-N 3.01Å; I345-L384 HydrophobicContact CB-CD1 4.37Å; I345-L384 HydrophobicContact CD1-CD1 4.26Å; I345-L384 HydrophobicContact CG1-CD1 4.38Å; I345-L384 HydrophobicContact CG2-CD1 3.38Å; I345-V385 CarbonylContact C-O 3.52Å; I345-V385 WeakPolarHBondContact CA-O 3.47Å; I345-F397 HydrophobicContact CD1-CB 4.35Å; I345-F397 HydrophobicContact CD1-CD1 3.9Å; I345-F397 HydrophobicContact CD1-CE1 4.5Å; I345-F397 HydrophobicContact CD1-CG 4.2Å |
| 346 | A | 94.1 | Very high | 86.5 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 3% | 0.025 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 134.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | F348 P359 L361 V385 | A346-F348 HydrophobicContact CB-CE2 4.41Å; A346-P359 HydrophobicContact CB-CB 3.7Å; A346-P359 HydrophobicContact CB-CG 4.09Å; A346-L361 CarbonylContact C-O 3.57Å; A346-L361 WeakPolarHBondContact CA-O 3.33Å; A346-V385 HydrophobicContact CB-CB 4.15Å; A346-V385 PolarHBondContact N-O 2.8Å; A346-V385 PolarHBondContact O-N 2.02Å |
| 347 | L | 95.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 130 | -179.5 | -59.7 | 171.3 | 0 | 0 | 0 | 109.9 | L326 I345 I349 D360 L361 V375 M382 I383 L384 | L326-L347 HydrophobicContact CD2-CD1 4.29Å; L326-L347 HydrophobicContact CD2-CD2 3.59Å; I345-L347 HydrophobicContact CG2-CD2 4.28Å; I345-L347 HydrophobicContact CG2-CG 4.21Å; L347-I349 HydrophobicContact CB-CG2 4.33Å; L347-D360 PolarHBondContact O-N 3.48Å; L347-L361 HydrophobicContact CB-CB 4.22Å; L347-L361 HydrophobicContact CD1-CD1 4.18Å; L347-L361 PolarHBondContact N-O 2.82Å; L347-L361 PolarHBondContact O-N 2.91Å; L347-V375 HydrophobicContact CD1-CB 4.23Å; L347-V375 HydrophobicContact CD1-CG1 3.96Å; L347-V375 HydrophobicContact CD1-CG2 3.84Å; L347-M382 HydrophobicContact CD2-SD 4.39Å; L347-I383 WeakPolarHBondContact CA-O 3.43Å; L347-L384 HydrophobicContact CD2-CB 3.84Å; L347-L384 HydrophobicContact CD2-CD1 3.55Å; L347-L384 HydrophobicContact CD2-CG 4.27Å |
| 348 | F | 96 | Very high | 87.2 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 4% | 0.039 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 93 | 172.1 | -60.8 | -104.5 | 0 | 0 | 0 | 107.5 | A346 N350 G351 Q352 M354 D357 P359 D360 I383 V385 | A346-F348 HydrophobicContact CB-CE2 4.41Å; F348-N350 VanDerWaalsContact C-N 3.33Å; F348-G351 PolarHBondContact O-N 2.81Å; F348-Q352 HydrophobicContact CD1-CG 3.9Å; F348-M354 HydrophobicContact CD1-CG 4.41Å; F348-M354 HydrophobicContact CD2-CG 4.04Å; F348-M354 HydrophobicContact CE1-CB 4.44Å; F348-M354 HydrophobicContact CE1-CG 4.16Å; F348-M354 HydrophobicContact CE2-CG 3.78Å; F348-M354 HydrophobicContact CG-CG 4.37Å; F348-M354 HydrophobicContact CZ-CB 4.16Å; F348-M354 HydrophobicContact CZ-CG 3.84Å; F348-D357 WeakPolarHBondContact CE1-O 3.29Å; F348-P359 HydrophobicContact CD2-CB 4.49Å; F348-P359 HydrophobicContact CE1-CB 4.29Å; F348-P359 HydrophobicContact CE2-CB 3.98Å; F348-P359 HydrophobicContact CZ-CB 3.88Å; F348-D360 WeakPolarHBondContact CA-OD2 3.11Å; F348-I383 HydrophobicContact CB-CB 4.09Å; F348-I383 HydrophobicContact CD2-CB 4.3Å; F348-I383 PolarHBondContact N-O 3.43Å; F348-I383 PolarHBondContact O-N 3.35Å; F348-I383 VanDerWaalsContact O-N 3.14Å; F348-V385 HydrophobicContact CD2-CG2 4.2Å; F348-V385 HydrophobicContact CE2-CG2 3.76Å |
| 349 | I | 94 | Very high | 87.8 | Confident | 16 Ų | 16 | 46.9 Ų | 46.9 | 8% | 0.082 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -14 | -171 | 64.3 | 173.2 | 0 | 0 | 0 | 112.8 | L347 D360 L361 V375 R378 M382 | L347-I349 HydrophobicContact CB-CG2 4.33Å; I349-D360 HydrophobicContact CD1-CB 4.22Å; I349-D360 HydrophobicContact CG1-CB 3.75Å; I349-D360 WeakPolarHBondContact CG1-OD2 3.31Å; I349-D360 PolarHBondContact N-OD2 3.04Å; I349-L361 HydrophobicContact CG2-CD1 4.2Å; I349-V375 HydrophobicContact CG2-CG1 3.85Å; I349-R378 HydrophobicContact CD1-CG 4.19Å; I349-R378 HydrophobicContact CG1-CG 4.4Å; I349-R378 PolarHBondContact O-N 3.21Å; I349-M382 HydrophobicContact CG2-CE 4.44Å |
| 350 | N | 88.5 | Confident | 88.3 | Confident | 70 Ų | 70 | 43.9 Ų | 43.9 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 1.4 | 172 | -33.8 | -71.9 | 0 | 0 | 0 | 112.7 | F348 Q352 D360 R378 | F348-N350 VanDerWaalsContact C-N 3.33Å; N350-Q352 VanDerWaalsContact C-N 3.29Å; N350-Q352 VanDerWaalsContact CB-OE1 3.23Å; N350-Q352 PolarHBondContact ND2-OE1 2.71Å; N350-Q352 PolarHBondContact O-N 3.42Å; N350-D360 PolarHBondContact ND2-OD1 3.01Å; N350-D360 PolarHBondContact ND2-OD2 2.91Å; N350-R378 WeakPolarHBondContact OD1-CD 3.5Å; N350-R378 PolarHBondContact OD1-NH1 3.13Å |
| 351 | G | 80.1 | Confident | 88.6 | Confident | 17 Ų | 17 | 46 Ų | 46 | 18% | 0.175 | 27% | 0.269 | C | S | . | . | trans | 66.1 | 26.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | F348 | F348-G351 PolarHBondContact O-N 2.81Š| ||
| 352 | Q | 82.6 | Confident | 88.8 | Confident | 39 Ų | 39 | 43.8 Ų | 43.8 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | trans | -70.7 | 177.2 | 179.1 | 72.7 | -92.1 | 8.5 | 0 | 0 | 113.6 | F348 N350 M354 D357 S358 D360 | F348-Q352 HydrophobicContact CD1-CG 3.9Å; N350-Q352 VanDerWaalsContact C-N 3.29Å; N350-Q352 VanDerWaalsContact CB-OE1 3.23Å; N350-Q352 PolarHBondContact ND2-OE1 2.71Å; N350-Q352 PolarHBondContact O-N 3.42Å; Q352-M354 PolarHBondContact O-N 2.83Å; Q352-D357 HydrophobicContact CB-CB 4.4Å; Q352-D357 VanDerWaalsContact CB-OD2 3.27Å; Q352-D357 WeakPolarHBondContact CB-OD2 3.44Å; Q352-D357 HydrophobicContact CG-CB 3.54Å; Q352-D357 WeakPolarHBondContact CG-OD2 3.36Å; Q352-S358 PolarHBondContact NE2-O 2.62Å; Q352-D360 PolarHBondContact NE2-OD2 3.19Å; Q352-D360 PolarHBondContact OE1-OD2 3.33Å | ||
| 353 | N | 80.8 | Confident | 89.1 | Confident | 93 Ų | 93 | 43.1 Ų | 43.1 | 50% | 0.497 | 25% | 0.254 | S | S | . | . | trans | -84.3 | 115 | -172.6 | -173.7 | -4 | 0 | 0 | 0 | 110.9 | A355 T356 D357 | N353-A355 PolarHBondContact O-N 2.87Å; N353-A355 VanDerWaalsContact O-N 3.1Å; N353-A355 PolarHBondContact OD1-N 2.99Å; N353-A355 VanDerWaalsContact OD1-N 3.11Å; N353-T356 PolarHBondContact O-N 2.8Å; N353-T356 VanDerWaalsContact O-N 3.12Å; N353-T356 PolarHBondContact O-OG1 2.79Å; N353-D357 PolarHBondContact N-OD2 3.43Å; N353-D357 VanDerWaalsContact N-OD2 3.1Å; N353-D357 WeakPolarHBondContact O-CB 3.48Å; N353-D357 PolarHBondContact O-N 2.85Å | ||
| 354 | M | 82.5 | Confident | 89.1 | Confident | 56 Ų | 56 | 43.1 Ų | 43.1 | 28% | 0.276 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -25.6 | 179.5 | -65.6 | 169.8 | 47.7 | 0 | 0 | 114.4 | T309 Y311 F348 Q352 I383 V385 | T309-M354 HydrophobicContact CG2-CE 3.76Å; T309-M354 HydrophobicContact CG2-SD 3.51Å; T309-M354 VanDerWaalsContact CG2-SD 3.51Å; Y311-M354 HydrophobicContact CE1-SD 4.32Å; F348-M354 HydrophobicContact CD1-CG 4.41Å; F348-M354 HydrophobicContact CD2-CG 4.04Å; F348-M354 HydrophobicContact CE1-CB 4.44Å; F348-M354 HydrophobicContact CE1-CG 4.16Å; F348-M354 HydrophobicContact CE2-CG 3.78Å; F348-M354 HydrophobicContact CG-CG 4.37Å; F348-M354 HydrophobicContact CZ-CB 4.16Å; F348-M354 HydrophobicContact CZ-CG 3.84Å; Q352-M354 PolarHBondContact O-N 2.83Å; M354-I383 HydrophobicContact CG-CD1 4.18Å; M354-I383 HydrophobicContact CG-CG2 4.19Å; M354-I383 HydrophobicContact SD-CB 4.4Å; M354-I383 HydrophobicContact SD-CD1 4.26Å; M354-I383 HydrophobicContact SD-CG2 3.35Å; M354-I383 WeakPolarHBondContact SD-CG2 3.39Å; M354-V385 HydrophobicContact CE-CB 4.46Å; M354-V385 HydrophobicContact CE-CG1 4.36Å; M354-V385 HydrophobicContact CE-CG2 3.28Å; M354-V385 HydrophobicContact CG-CG2 4.44Å; M354-V385 HydrophobicContact SD-CG2 3.77Å |
| 355 | A | 77.5 | Confident | 88.8 | Confident | 90 Ų | 90 | 44.8 Ų | 44.8 | 74% | 0.744 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -24.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N353 | N353-A355 PolarHBondContact O-N 2.87Å; N353-A355 VanDerWaalsContact O-N 3.1Å; N353-A355 PolarHBondContact OD1-N 2.99Å; N353-A355 VanDerWaalsContact OD1-N 3.11Å |
| 356 | T | 81.6 | Confident | 88.5 | Confident | 106 Ų | 106 | 49 Ų | 49 | 65% | 0.65 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115 | -29.6 | -174.3 | 54.1 | 0 | 0 | 0 | 0 | 113.1 | N353 | N353-T356 PolarHBondContact O-N 2.8Å; N353-T356 VanDerWaalsContact O-N 3.12Å; N353-T356 PolarHBondContact O-OG1 2.79Å |
| 357 | D | 87 | Confident | 88.2 | Confident | 70 Ų | 70 | 51.1 Ų | 51.1 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -107.6 | 147.6 | -168.9 | -54.9 | -40.6 | 0 | 0 | 0 | 111.3 | F348 Q352 N353 | F348-D357 WeakPolarHBondContact CE1-O 3.29Å; Q352-D357 HydrophobicContact CB-CB 4.4Å; Q352-D357 VanDerWaalsContact CB-OD2 3.27Å; Q352-D357 WeakPolarHBondContact CB-OD2 3.44Å; Q352-D357 HydrophobicContact CG-CB 3.54Å; Q352-D357 WeakPolarHBondContact CG-OD2 3.36Å; N353-D357 PolarHBondContact N-OD2 3.43Å; N353-D357 VanDerWaalsContact N-OD2 3.1Å; N353-D357 WeakPolarHBondContact O-CB 3.48Å; N353-D357 PolarHBondContact O-N 2.85Å |
| 358 | S | 89.5 | Confident | 87.9 | Confident | 96 Ų | 96 | 53.4 Ų | 53.4 | 67% | 0.671 | 32% | 0.316 | S | S | * | . | trans | -72.5 | 151.4 | 169.9 | 58 | 0 | 0 | 0 | 0 | 110.9 | Q352 | Q352-S358 PolarHBondContact NE2-O 2.62Š| ||
| 359 | P | 91.9 | Very high | 87.6 | Confident | 42 Ų | 42 | 58 Ų | 58 | 27% | 0.273 | 36% | 0.356 | S | S | . | . | trans | -62.9 | 144.5 | 172.9 | 28 | -35.1 | 0 | 0 | 0 | 111.2 | A346 F348 K362 | A346-P359 HydrophobicContact CB-CB 3.7Å; A346-P359 HydrophobicContact CB-CG 4.09Å; F348-P359 HydrophobicContact CD2-CB 4.49Å; F348-P359 HydrophobicContact CE1-CB 4.29Å; F348-P359 HydrophobicContact CE2-CB 3.98Å; F348-P359 HydrophobicContact CZ-CB 3.88Å; P359-K362 HydrophobicContact CG-CB 4.28Å | ||
| 360 | D | 93 | Very high | 87.4 | Confident | 58 Ų | 58 | 62 Ų | 62 | 31% | 0.31 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -69.8 | -37.6 | 175.8 | -65 | -76.7 | 0 | 0 | 0 | 111.1 | L347 F348 I349 N350 Q352 | L347-D360 PolarHBondContact O-N 3.48Å; F348-D360 WeakPolarHBondContact CA-OD2 3.11Å; I349-D360 HydrophobicContact CD1-CB 4.22Å; I349-D360 HydrophobicContact CG1-CB 3.75Å; I349-D360 WeakPolarHBondContact CG1-OD2 3.31Å; I349-D360 PolarHBondContact N-OD2 3.04Å; N350-D360 PolarHBondContact ND2-OD1 3.01Å; N350-D360 PolarHBondContact ND2-OD2 2.91Å; Q352-D360 PolarHBondContact NE2-OD2 3.19Å; Q352-D360 PolarHBondContact OE1-OD2 3.33Å |
| 361 | L | 93.8 | Very high | 87.6 | Confident | 49 Ų | 49 | 60.1 Ų | 60.1 | 26% | 0.257 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 135.4 | 177.6 | -51.3 | 169.1 | 0 | 0 | 0 | 109.4 | A346 L347 I349 Y363 V375 | A346-L361 CarbonylContact C-O 3.57Å; A346-L361 WeakPolarHBondContact CA-O 3.33Å; L347-L361 HydrophobicContact CB-CB 4.22Å; L347-L361 HydrophobicContact CD1-CD1 4.18Å; L347-L361 PolarHBondContact N-O 2.82Å; L347-L361 PolarHBondContact O-N 2.91Å; I349-L361 HydrophobicContact CG2-CD1 4.2Å; L361-Y363 HydrophobicContact CB-CD2 4.32Å; L361-Y363 HydrophobicContact CB-CE2 3.61Å; L361-Y363 HydrophobicContact CD1-CE2 4.29Å; L361-Y363 HydrophobicContact CG-CE2 4.42Å; L361-V375 HydrophobicContact CD1-CG1 3.79Å; L361-V375 HydrophobicContact CD1-CG2 4.44Å |
| 362 | K | 93.5 | Very high | 88.2 | Confident | 52 Ų | 52 | 62.1 Ų | 62.1 | 23% | 0.226 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 122.4 | 176.9 | -169.6 | -173.7 | -173.7 | -166.5 | 0 | 109.4 | D339 C340 E341 H344 I345 P359 N367 | D339-K362 PolarHBondContact O-NZ 3.49Å; C340-K362 HydrophobicContact CB-CD 4.38Å; C340-K362 WeakPolarHBondContact O-CE 3.23Å; C340-K362 PolarHBondContact O-NZ 3.27Å; C340-K362 VanDerWaalsContact O-NZ 3.17Å; E341-K362 VanDerWaalsContact CD-NZ 3.31Å; E341-K362 IonicContact OE1-NZ 3.89Å; E341-K362 PolarHBondContact OE1-NZ 2.79Å; E341-K362 IonicContact OE2-NZ 2.69Å; H344-K362 HydrophobicContact CB-CG 4.17Å; I345-K362 CarbonylContact O-C 3.48Å; I345-K362 WeakPolarHBondContact O-CA 3.35Å; P359-K362 HydrophobicContact CG-CB 4.28Å; K362-N367 PolarHBondContact O-ND2 2.8Å |
| 363 | Y | 92.5 | Very high | 88.7 | Confident | 19 Ų | 19 | 66.9 Ų | 66.9 | 8% | 0.075 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 139.4 | -176.5 | -63.4 | -79.6 | 0 | 0 | 0 | 112 | H344 I345 L361 N367 L371 P372 | H344-Y363 CarbonylContact C-O 3.38Å; H344-Y363 VanDerWaalsContact CA-O 3.27Å; H344-Y363 WeakPolarHBondContact CA-O 3.25Å; H344-Y363 WeakPolarHBondContact CB-O 3.26Å; I345-Y363 PolarHBondContact N-O 3.17Å; I345-Y363 PolarHBondContact O-N 3.01Å; L361-Y363 HydrophobicContact CB-CD2 4.32Å; L361-Y363 HydrophobicContact CB-CE2 3.61Å; L361-Y363 HydrophobicContact CD1-CE2 4.29Å; L361-Y363 HydrophobicContact CG-CE2 4.42Å; Y363-N367 VanDerWaalsContact CA-OD1 3.31Å; Y363-N367 WeakPolarHBondContact CA-OD1 3.4Å; Y363-L371 HydrophobicContact CD1-CB 4.09Å; Y363-L371 HydrophobicContact CD1-CD1 4.38Å; Y363-L371 HydrophobicContact CD2-CD1 3.51Å; Y363-L371 HydrophobicContact CE1-CB 3.95Å; Y363-L371 HydrophobicContact CE1-CD1 4.23Å; Y363-L371 HydrophobicContact CE2-CD1 3.29Å; Y363-L371 HydrophobicContact CE2-CG 4.5Å; Y363-L371 HydrophobicContact CG-CB 4.46Å; Y363-L371 HydrophobicContact CG-CD1 4.04Å; Y363-P372 WeakPolarHBondContact OH-CD 3.26Å |
| 364 | C | 89.7 | Confident | 89.3 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 40% | 0.404 | C | S | . | . | trans | -143.7 | -169.2 | 166.7 | 73.5 | 0 | 0 | 0 | 0 | 112.1 | L333 C340 A343 H344 T366 N367 L368 | L333-C364 HydrophobicContact CD1-CB 3.62Å; C340-C364 HydrophobicContact CB-CB 3.46Å; C340-C364 VanDerWaalsContact CB-CB 3.46Å; C340-C364 WeakPolarHBondContact CB-SG 3.37Å; C340-C364 WeakPolarHBondContact SG-CB 3.14Å; C340-C364 CovalentContact SG-SG 2.03Å; C340-C364 PolarHBondContact SG-SG 3.37Å; A343-C364 VanDerWaalsContact O-CB 3.23Å; A343-C364 WeakPolarHBondContact O-CB 3.26Å; H344-C364 HydrophobicContact CB-CB 4.48Å; C364-T366 PolarHBondContact O-N 3.29Å; C364-T366 PolarHBondContact SG-OG1 3.14Å; C364-T366 VanDerWaalsContact SG-OG1 3.36Å; C364-N367 PolarHBondContact N-OD1 2.92Å; C364-N367 PolarHBondContact O-N 3.29Å; C364-N367 PolarHBondContact O-OD1 3.2Å; C364-N367 VanDerWaalsContact O-OD1 3.12Å; C364-L368 WeakPolarHBondContact O-CB 3.45Å; C364-L368 PolarHBondContact O-N 3.27Å | ||
| 365 | S | 86.2 | Confident | 89.9 | Confident | 54 Ų | 54 | 63.4 Ų | 63.4 | 38% | 0.378 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -27.4 | -174.9 | 50.3 | 0 | 0 | 0 | 0 | 114.2 | L333 S335 | L333-S365 WeakPolarHBondContact O-CB 3.32Å; S335-S365 PolarHBondContact N-OG 2.98Å; S335-S365 PolarHBondContact O-OG 3.42Å |
| 366 | T | 87.1 | Confident | 90.7 | Very high | 90 Ų | 90 | 64 Ų | 64 | 55% | 0.552 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -29.1 | -175.7 | 57.9 | 0 | 0 | 0 | 0 | 114.1 | C364 | C364-T366 PolarHBondContact O-N 3.29Å; C364-T366 PolarHBondContact SG-OG1 3.14Å; C364-T366 VanDerWaalsContact SG-OG1 3.36Å |
| 367 | N | 89.4 | Confident | 91.3 | Very high | 48 Ų | 48 | 59.1 Ų | 59.1 | 26% | 0.257 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | 9.8 | -176 | 69.7 | -14 | 0 | 0 | 0 | 113 | K362 Y363 C364 A369 T370 | K362-N367 PolarHBondContact O-ND2 2.8Å; Y363-N367 VanDerWaalsContact CA-OD1 3.31Å; Y363-N367 WeakPolarHBondContact CA-OD1 3.4Å; C364-N367 PolarHBondContact N-OD1 2.92Å; C364-N367 PolarHBondContact O-N 3.29Å; C364-N367 PolarHBondContact O-OD1 3.2Å; C364-N367 VanDerWaalsContact O-OD1 3.12Å; N367-A369 PolarHBondContact O-N 2.88Å; N367-A369 VanDerWaalsContact O-N 3.11Å; N367-T370 PolarHBondContact O-N 2.85Å; N367-T370 PolarHBondContact O-OG1 3.39Å |
| 368 | L | 88.9 | Confident | 91.4 | Very high | 48 Ų | 48 | 64.5 Ų | 64.5 | 25% | 0.251 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -55.2 | -32.7 | 179.6 | -156.1 | 61.5 | 0 | 0 | 0 | 113.2 | L331 C364 T370 L371 | L331-L368 HydrophobicContact CD2-CD1 3.39Å; L331-L368 HydrophobicContact CD2-CG 4.38Å; L331-L368 HydrophobicContact CG-CD1 3.84Å; L331-L368 HydrophobicContact CG-CD2 4.29Å; C364-L368 WeakPolarHBondContact O-CB 3.45Å; C364-L368 PolarHBondContact O-N 3.27Å; L368-T370 PolarHBondContact O-N 2.83Å; L368-T370 VanDerWaalsContact O-N 3.16Å; L368-L371 VanDerWaalsContact O-CB 3.24Å; L368-L371 WeakPolarHBondContact O-CB 3.39Å; L368-L371 PolarHBondContact O-N 2.81Å; L368-L371 VanDerWaalsContact O-N 3.12Å |
| 369 | A | 88.8 | Confident | 91.3 | Very high | 106 Ų | 106 | 60.6 Ų | 60.6 | 88% | 0.876 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -65.5 | -12.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | N367 | N367-A369 PolarHBondContact O-N 2.88Å; N367-A369 VanDerWaalsContact O-N 3.11Å |
| 370 | T | 91.2 | Very high | 91.2 | Very high | 99 Ų | 99 | 59.8 Ų | 59.8 | 61% | 0.607 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -99.7 | 2.3 | 176 | 69.9 | 0 | 0 | 0 | 0 | 113.2 | N367 L368 | N367-T370 PolarHBondContact O-N 2.85Å; N367-T370 PolarHBondContact O-OG1 3.39Å; L368-T370 PolarHBondContact O-N 2.83Å; L368-T370 VanDerWaalsContact O-N 3.16Å |
| 371 | L | 91.5 | Very high | 91.3 | Very high | 31 Ų | 31 | 61.4 Ų | 61.4 | 16% | 0.162 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -66.3 | 125.6 | 172.1 | -180 | 72.8 | 0 | 0 | 0 | 109 | F328 L331 Y363 L368 V375 | F328-L371 HydrophobicContact CD2-CD2 3.8Å; F328-L371 HydrophobicContact CE2-CD1 4.5Å; F328-L371 HydrophobicContact CE2-CD2 4.36Å; F328-L371 HydrophobicContact CG-CD2 4.39Å; L331-L371 HydrophobicContact CD2-CD2 3.65Å; Y363-L371 HydrophobicContact CD1-CB 4.09Å; Y363-L371 HydrophobicContact CD1-CD1 4.38Å; Y363-L371 HydrophobicContact CD2-CD1 3.51Å; Y363-L371 HydrophobicContact CE1-CB 3.95Å; Y363-L371 HydrophobicContact CE1-CD1 4.23Å; Y363-L371 HydrophobicContact CE2-CD1 3.29Å; Y363-L371 HydrophobicContact CE2-CG 4.5Å; Y363-L371 HydrophobicContact CG-CB 4.46Å; Y363-L371 HydrophobicContact CG-CD1 4.04Å; L368-L371 VanDerWaalsContact O-CB 3.24Å; L368-L371 WeakPolarHBondContact O-CB 3.39Å; L368-L371 PolarHBondContact O-N 2.81Å; L368-L371 VanDerWaalsContact O-N 3.12Å; L371-V375 HydrophobicContact CD1-CG2 4.16Å |
| 372 | P | 92.8 | Very high | 91.4 | Very high | 58 Ų | 58 | 59 Ų | 59 | 38% | 0.377 | 33% | 0.325 | S | S | . | . | trans | -66.8 | 150.3 | 172.8 | 29.9 | -36.2 | 0 | 0 | 0 | 110.5 | Y363 T374 V375 | Y363-P372 WeakPolarHBondContact OH-CD 3.26Å; P372-T374 PolarHBondContact O-N 2.85Å; P372-V375 HydrophobicContact CG-CG2 3.81Å | ||
| 373 | D | 92.7 | Very high | 91.6 | Very high | 140 Ų | 140 | 56.8 Ų | 56.8 | 75% | 0.749 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -55.3 | -40 | -179.9 | -65.9 | -33.6 | 0 | 0 | 0 | 111.9 | H327 | H327-D373 PolarHBondContact ND1-O 3.14Š|
| 374 | T | 94.1 | Very high | 91.7 | Very high | 70 Ų | 70 | 55.9 Ų | 55.9 | 43% | 0.429 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 129.7 | 173.8 | -58.8 | 0 | 0 | 0 | 0 | 109.7 | L325 L326 P372 | L325-T374 HydrophobicContact CB-CG2 3.83Å; L325-T374 HydrophobicContact CD2-CG2 4.13Å; L325-T374 HydrophobicContact CG-CG2 4.4Å; L326-T374 WeakPolarHBondContact O-CA 3.47Å; P372-T374 PolarHBondContact O-N 2.85Å |
| 375 | V | 95.5 | Very high | 92 | Very high | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.03 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 127.1 | 172.5 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | L325 L326 L347 I349 L361 L371 P372 M382 | L325-V375 WeakPolarHBondContact CA-O 3.39Å; L326-V375 HydrophobicContact CB-CB 4.44Å; L326-V375 PolarHBondContact N-O 3.15Å; L326-V375 PolarHBondContact O-N 3.24Å; L347-V375 HydrophobicContact CD1-CB 4.23Å; L347-V375 HydrophobicContact CD1-CG1 3.96Å; L347-V375 HydrophobicContact CD1-CG2 3.84Å; I349-V375 HydrophobicContact CG2-CG1 3.85Å; L361-V375 HydrophobicContact CD1-CG1 3.79Å; L361-V375 HydrophobicContact CD1-CG2 4.44Å; L371-V375 HydrophobicContact CD1-CG2 4.16Å; P372-V375 HydrophobicContact CG-CG2 3.81Å; V375-M382 HydrophobicContact CG1-CE 4.1Å |
| 376 | E | 93.4 | Very high | 92.3 | Very high | 102 Ų | 102 | 54.2 Ų | 54.2 | 48% | 0.477 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 133.7 | 179.1 | -179.5 | 173.5 | -177.9 | 0 | 0 | 110.7 | K323 V324 L325 | K323-E376 HydrophobicContact CD-CG 4.1Å; K323-E376 WeakPolarHBondContact CD-OE1 3.38Å; K323-E376 WeakPolarHBondContact CE-OE1 3.27Å; K323-E376 IonicContact NZ-OE1 2.97Å; K323-E376 PolarHBondContact NZ-OE1 3.18Å; K323-E376 IonicContact NZ-OE2 3.79Å; V324-E376 WeakPolarHBondContact O-CA 3.38Å; L325-E376 HydrophobicContact CD2-CB 3.74Å; L325-E376 HydrophobicContact CD2-CG 3.73Å |
| 377 | S | 94.4 | Very high | 92.5 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 3% | 0.028 | 29% | 0.292 | C | S | . | . | trans | -76.5 | 151 | 171.8 | 63.2 | 0 | 0 | 0 | 0 | 111.7 | V324 G379 | V324-S377 WeakPolarHBondContact CB-OG 3.27Å; V324-S377 PolarHBondContact N-OG 3.5Å; V324-S377 PolarHBondContact O-N 3.39Å; V324-S377 PolarHBondContact O-OG 2.9Å; S377-G379 VanDerWaalsContact CB-O 3.3Å; S377-G379 WeakPolarHBondContact CB-O 3.42Å; S377-G379 PolarHBondContact O-N 3.04Å; S377-G379 PolarHBondContact OG-O 2.87Å | ||
| 378 | R | 89.3 | Confident | 92.3 | Very high | 183 Ų | 183 | 53.6 Ų | 53.6 | 69% | 0.691 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -85.4 | 7.8 | 175 | -58.2 | -157.9 | -171.7 | 147.1 | -6.6 | 113.8 | I349 N350 | I349-R378 HydrophobicContact CD1-CG 4.19Å; I349-R378 HydrophobicContact CG1-CG 4.4Å; I349-R378 PolarHBondContact O-N 3.21Å; N350-R378 WeakPolarHBondContact OD1-CD 3.5Å; N350-R378 PolarHBondContact OD1-NH1 3.13Å |
| 379 | G | 87.3 | Confident | 91.9 | Very high | 15 Ų | 15 | 51.7 Ų | 51.7 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -171.4 | -169.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | S377 R381 | S377-G379 VanDerWaalsContact CB-O 3.3Å; S377-G379 WeakPolarHBondContact CB-O 3.42Å; S377-G379 PolarHBondContact O-N 3.04Å; S377-G379 PolarHBondContact OG-O 2.87Å; G379-R381 PolarHBondContact O-N 2.73Å |
| 380 | P | 91 | Very high | 91.3 | Very high | 24 Ų | 24 | 53.6 Ų | 53.6 | 16% | 0.156 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -76.7 | 7.1 | -173.4 | 31.3 | -35.2 | 0 | 0 | 0 | 113.7 | G314 K316 L321 E322 | G314-P380 WeakPolarHBondContact CA-O 3.3Å; G314-P380 PolarHBondContact N-O 2.82Å; K316-P380 HydrophobicContact CB-CB 4.08Å; K316-P380 HydrophobicContact CB-CG 3.84Å; K316-P380 HydrophobicContact CD-CG 3.81Å; K316-P380 HydrophobicContact CG-CG 3.98Å; L321-P380 HydrophobicContact CD1-CG 4.34Å; E322-P380 WeakPolarHBondContact O-CA 3.48Å; E322-P380 VanDerWaalsContact O-CB 3.32Å; E322-P380 WeakPolarHBondContact O-CB 3.17Å |
| 381 | R | 94.1 | Very high | 90.5 | Very high | 92 Ų | 92 | 50.3 Ų | 50.3 | 35% | 0.347 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 134.1 | -177.2 | -167.4 | 173.5 | -158.7 | -156.9 | -3.2 | 110.8 | Y311 I312 D313 G379 | Y311-R381 VanDerWaalsContact CD1-NH2 3.33Å; I312-R381 WeakPolarHBondContact O-CA 3.35Å; D313-R381 WeakPolarHBondContact OD1-CD 3.21Å; D313-R381 WeakPolarHBondContact OD1-CG 3.25Å; D313-R381 IonicContact OD1-CZ 3.93Å; D313-R381 IonicContact OD1-NE 3.39Å; D313-R381 PolarHBondContact OD1-NE 2.94Å; D313-R381 IonicContact OD1-NH2 2.81Å; G379-R381 PolarHBondContact O-N 2.73Å |
| 382 | M | 96 | Very high | 89.6 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 138.9 | 167.7 | -172.5 | -179.6 | -67.3 | 0 | 0 | 108.3 | I312 V324 L326 L347 I349 V375 | I312-M382 WeakPolarHBondContact CA-O 3Å; I312-M382 HydrophobicContact CB-CB 4.37Å; I312-M382 WeakPolarHBondContact CB-O 3.46Å; I312-M382 PolarHBondContact N-O 2.81Å; I312-M382 PolarHBondContact O-N 3.42Å; V324-M382 HydrophobicContact CB-CB 4.09Å; V324-M382 HydrophobicContact CB-CE 4.23Å; V324-M382 HydrophobicContact CG1-CB 4.03Å; V324-M382 HydrophobicContact CG1-CE 4.13Å; V324-M382 HydrophobicContact CG1-SD 4.27Å; V324-M382 HydrophobicContact CG2-CB 4.33Å; L326-M382 HydrophobicContact CB-CE 4.32Å; L326-M382 HydrophobicContact CB-SD 3.86Å; L326-M382 HydrophobicContact CD2-SD 3.91Å; L347-M382 HydrophobicContact CD2-SD 4.39Å; I349-M382 HydrophobicContact CG2-CE 4.44Å; V375-M382 HydrophobicContact CG1-CE 4.1Å |
| 383 | I | 96.7 | Very high | 88.8 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 124.8 | 170.1 | -51.9 | 168.4 | 0 | 0 | 0 | 108.5 | T309 Y311 L347 F348 M354 V385 | T309-I383 HydrophobicContact CG2-CG2 3.57Å; Y311-I383 HydrophobicContact CD1-CD1 4.16Å; Y311-I383 HydrophobicContact CD1-CG1 4.07Å; Y311-I383 HydrophobicContact CD1-CG2 4.23Å; Y311-I383 HydrophobicContact CE1-CD1 4.23Å; Y311-I383 HydrophobicContact CE1-CG2 4.31Å; L347-I383 WeakPolarHBondContact CA-O 3.43Å; F348-I383 HydrophobicContact CB-CB 4.09Å; F348-I383 HydrophobicContact CD2-CB 4.3Å; F348-I383 PolarHBondContact N-O 3.43Å; F348-I383 PolarHBondContact O-N 3.35Å; F348-I383 VanDerWaalsContact O-N 3.14Å; M354-I383 HydrophobicContact CG-CD1 4.18Å; M354-I383 HydrophobicContact CG-CG2 4.19Å; M354-I383 HydrophobicContact SD-CB 4.4Å; M354-I383 HydrophobicContact SD-CD1 4.26Å; M354-I383 HydrophobicContact SD-CG2 3.35Å; M354-I383 WeakPolarHBondContact SD-CG2 3.39Å; I383-V385 HydrophobicContact CG2-CG2 4.2Å |
| 384 | L | 96.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 126.6 | 173.3 | 159.9 | 66.3 | 0 | 0 | 0 | 108.4 | I294 T309 Y310 F328 I345 L347 F397 | I294-L384 HydrophobicContact CD1-CD2 3.85Å; T309-L384 CarbonylContact C-O 3.56Å; T309-L384 WeakPolarHBondContact CA-O 3.17Å; Y310-L384 HydrophobicContact CD2-CB 4.42Å; Y310-L384 HydrophobicContact CD2-CD2 3.94Å; Y310-L384 HydrophobicContact CD2-CG 3.84Å; Y310-L384 HydrophobicContact CG-CD2 4.22Å; Y310-L384 HydrophobicContact CG-CG 4.39Å; Y310-L384 PolarHBondContact N-O 2.88Å; Y310-L384 PolarHBondContact O-N 2.7Å; F328-L384 HydrophobicContact CZ-CD1 4.32Å; I345-L384 HydrophobicContact CB-CD1 4.37Å; I345-L384 HydrophobicContact CD1-CD1 4.26Å; I345-L384 HydrophobicContact CG1-CD1 4.38Å; I345-L384 HydrophobicContact CG2-CD1 3.38Å; L347-L384 HydrophobicContact CD2-CB 3.84Å; L347-L384 HydrophobicContact CD2-CD1 3.55Å; L347-L384 HydrophobicContact CD2-CG 4.27Å; L384-F397 HydrophobicContact CD2-CE1 4.22Å; L384-F397 HydrophobicContact CD2-CE2 3.92Å; L384-F397 HydrophobicContact CD2-CZ 3.57Å |
| 385 | V | 94.6 | Very high | 87.7 | Confident | 9 Ų | 9 | 50 Ų | 50 | 6% | 0.055 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 122.8 | 176.1 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | L307 T309 I345 A346 F348 M354 I383 | L307-V385 HydrophobicContact CD1-CG1 3.6Å; T309-V385 HydrophobicContact CG2-CG2 4.3Å; I345-V385 CarbonylContact C-O 3.52Å; I345-V385 WeakPolarHBondContact CA-O 3.47Å; A346-V385 HydrophobicContact CB-CB 4.15Å; A346-V385 PolarHBondContact N-O 2.8Å; A346-V385 PolarHBondContact O-N 2.02Å; F348-V385 HydrophobicContact CD2-CG2 4.2Å; F348-V385 HydrophobicContact CE2-CG2 3.76Å; M354-V385 HydrophobicContact CE-CB 4.46Å; M354-V385 HydrophobicContact CE-CG1 4.36Å; M354-V385 HydrophobicContact CE-CG2 3.28Å; M354-V385 HydrophobicContact CG-CG2 4.44Å; M354-V385 HydrophobicContact SD-CG2 3.77Å; I383-V385 HydrophobicContact CG2-CG2 4.2Å |
| 386 | Q | 92.8 | Very high | 87.4 | Confident | 10 Ų | 10 | 50.2 Ų | 50.2 | 5% | 0.047 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 126 | 175 | -178.5 | -164.5 | -2.2 | 0 | 0 | 108.9 | S296 L307 C308 Y310 T388 F397 | S296-Q386 VanDerWaalsContact CB-OE1 3.22Å; L307-Q386 CarbonylContact C-O 3.53Å; L307-Q386 WeakPolarHBondContact CA-O 3.39Å; C308-Q386 PolarHBondContact N-O 3.26Å; C308-Q386 PolarHBondContact O-N 2.87Å; Y310-Q386 HydrophobicContact CE2-CB 4.14Å; Y310-Q386 PolarHBondContact OH-OE1 3.01Å; Q386-T388 HydrophobicContact CG-CG2 4.26Å; Q386-F397 HydrophobicContact CB-CE1 4.07Å; Q386-F397 HydrophobicContact CG-CD1 4.29Å; Q386-F397 HydrophobicContact CG-CE1 4.12Å; Q386-F397 VanDerWaalsContact OE1-CE1 3.22Å |
| 387 | R | 91.1 | Very high | 87.3 | Confident | 113 Ų | 113 | 45.3 Ų | 45.3 | 43% | 0.426 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 121.5 | 166.7 | -171.6 | 177.7 | -179.9 | 127.3 | -0.8 | 109.3 | A306 L307 E341 A343 H344 | A306-R387 WeakPolarHBondContact O-CA 3.42Å; L307-R387 HydrophobicContact CD1-CB 4.13Å; L307-R387 HydrophobicContact CD1-CG 4.47Å; E341-R387 VanDerWaalsContact O-CD 3.3Å; E341-R387 WeakPolarHBondContact O-CD 2.96Å; E341-R387 PolarHBondContact O-NE 2.81Å; E341-R387 VanDerWaalsContact O-NE 3.16Å; A343-R387 CarbonylContact C-O 3.47Å; A343-R387 VanDerWaalsContact CA-O 3.26Å; A343-R387 WeakPolarHBondContact CA-O 3.11Å; H344-R387 PolarHBondContact N-O 3.33Å; H344-R387 PolarHBondContact O-N 2.83Å |
| 388 | T | 85.4 | Confident | 87.3 | Confident | 13 Ų | 13 | 47.9 Ų | 47.9 | 8% | 0.08 | 24% | 0.242 | C | C | . | . | trans | -98.5 | 141.1 | 175.3 | 53.2 | 0 | 0 | 0 | 0 | 111.4 | P304 T305 A306 Q386 | P304-T388 PolarHBondContact O-OG1 2.83Å; T305-T388 WeakPolarHBondContact CA-O 3.34Å; T305-T388 WeakPolarHBondContact CG2-O 3.38Å; A306-T388 PolarHBondContact N-OG1 2.83Å; A306-T388 PolarHBondContact O-N 2.84Å; A306-T388 PolarHBondContact O-OG1 3.48Å; Q386-T388 HydrophobicContact CG-CG2 4.26Å | ||
| 389 | G | 80.9 | Confident | 87.6 | Confident | 7 Ų | 7 | 39.1 Ų | 39.1 | 7% | 0.072 | 21% | 0.209 | C | C | . | . | trans | -88.3 | -174.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S391 | G389-S391 PolarHBondContact O-N 2.88Å; G389-S391 VanDerWaalsContact O-N 3.15Å | ||
| 390 | N | 75.8 | Confident | 88 | Confident | 146 Ų | 146 | 39.6 Ų | 39.6 | 78% | 0.781 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -81.8 | 27 | 177 | -84.9 | -19.6 | 0 | 0 | 0 | 113.8 | T305 | T305-N390 WeakPolarHBondContact CG2-OD1 3.41Š|
| 391 | S | 75.3 | Confident | 88.3 | Confident | 30 Ų | 30 | 38.4 Ų | 38.4 | 21% | 0.21 | 20% | 0.201 | C | C | . | . | trans | -87.4 | 130.1 | -176.2 | -175 | 0 | 0 | 0 | 0 | 111.9 | G389 S393 D394 | G389-S391 PolarHBondContact O-N 2.88Å; G389-S391 VanDerWaalsContact O-N 3.15Å; S391-S393 VanDerWaalsContact C-N 3.28Å; S391-S393 PolarHBondContact OG-N 2.84Å; S391-S393 PolarHBondContact OG-OG 3.44Å; S391-D394 PolarHBondContact OG-OD1 2.69Å | ||
| 392 | T | 72.9 | Confident | 88.3 | Confident | 131 Ų | 131 | 36.8 Ų | 36.8 | 80% | 0.804 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -14.3 | 173 | 53.7 | 0 | 0 | 0 | 0 | 112.9 | S302 | S302-T392 PolarHBondContact OG-O 2.8Š|
| 393 | S | 75.7 | Confident | 88.2 | Confident | 62 Ų | 62 | 36.9 Ų | 36.9 | 43% | 0.434 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -2.1 | 179.3 | 63.8 | 0 | 0 | 0 | 0 | 114.4 | T334 S391 H395 | T334-S393 PolarHBondContact OG1-OG 2.78Å; S391-S393 VanDerWaalsContact C-N 3.28Å; S391-S393 PolarHBondContact OG-N 2.84Å; S391-S393 PolarHBondContact OG-OG 3.44Å; S393-H395 PolarHBondContact O-CD2 2.75Å; S393-H395 PolarHBondContact O-N 3.01Å |
| 394 | D | 79.7 | Confident | 87.8 | Confident | 8 Ų | 8 | 38.1 Ų | 38.1 | 4% | 0.043 | 20% | 0.203 | C | C | . | . | trans | -83.4 | 115 | -174.4 | -74.3 | 5.3 | 0 | 0 | 0 | 111.4 | S302 T334 S391 G396 | S302-D394 WeakPolarHBondContact CA-O 3.21Å; S302-D394 WeakPolarHBondContact CB-O 3.47Å; S302-D394 PolarHBondContact OG-O 2.88Å; T334-D394 WeakPolarHBondContact CA-OD1 3.46Å; T334-D394 WeakPolarHBondContact CB-OD1 3.44Å; T334-D394 PolarHBondContact N-OD1 2.71Å; T334-D394 PolarHBondContact N-OD2 2.94Å; T334-D394 PolarHBondContact OG1-OD1 3.16Å; S391-D394 PolarHBondContact OG-OD1 2.69Å; D394-G396 VanDerWaalsContact C-N 3.28Å | ||
| 395 | H | 84.2 | Confident | 87.3 | Confident | 93 Ų | 93 | 39.7 Ų | 39.7 | 43% | 0.431 | 21% | 0.212 | S | C | . | . | trans | -88.7 | 3.1 | 176.1 | -61.7 | -68.5 | 0 | 0 | 0 | 113.3 | H299 P300 S393 | H299-H395 PolarHBondContact ND1-O 2.49Å; P300-H395 PolarHBondContact O-ND1 2.77Å; S393-H395 PolarHBondContact O-CD2 2.75Å; S393-H395 PolarHBondContact O-N 3.01Å | ||
| 396 | G | 87.8 | Confident | 86.8 | Confident | 8 Ų | 8 | 41.4 Ų | 41.4 | 8% | 0.082 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 66 | -137.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S296 S332 D394 | S296-G396 VanDerWaalsContact OG-CA 3.29Å; S296-G396 WeakPolarHBondContact OG-CA 3.27Å; S332-G396 PolarHBondContact N-O 2.84Å; S332-G396 WeakPolarHBondContact O-CA 3.3Å; S332-G396 PolarHBondContact O-N 3.31Å; D394-G396 VanDerWaalsContact C-N 3.28Å |
| 397 | F | 92.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 155.2 | -178.9 | 78.9 | -96.8 | 0 | 0 | 0 | 113.5 | I294 M295 S296 Y310 F328 V330 L331 I345 L384 Q386 A399 | I294-F397 HydrophobicContact CD1-CE2 4.08Å; I294-F397 HydrophobicContact CD1-CZ 4.42Å; I294-F397 HydrophobicContact CG1-CE2 4.05Å; M295-F397 CarbonylContact C-O 3.47Å; M295-F397 VanDerWaalsContact CA-O 3.28Å; M295-F397 WeakPolarHBondContact CA-O 3.23Å; S296-F397 PolarHBondContact N-O 2.54Å; S296-F397 PolarHBondContact OG-N 3.33Å; S296-F397 PolarHBondContact OG-O 2.77Å; Y310-F397 HydrophobicContact CD2-CZ 4.21Å; Y310-F397 HydrophobicContact CE1-CZ 4.06Å; Y310-F397 AromaticContact CE2-CE1 3.83Å; Y310-F397 HydrophobicContact CE2-CE1 3.83Å; Y310-F397 AromaticContact CE2-CZ 3.65Å; Y310-F397 HydrophobicContact CE2-CZ 3.65Å; Y310-F397 AromaticContact CZ-CE1 3.95Å; Y310-F397 AromaticContact CZ-CZ 3.58Å; F328-F397 HydrophobicContact CD1-CB 4.08Å; F328-F397 HydrophobicContact CD1-CD2 4.12Å; F328-F397 HydrophobicContact CD1-CG 4.32Å; F328-F397 HydrophobicContact CE1-CB 4.18Å; F328-F397 AromaticContact CE1-CD2 3.85Å; F328-F397 HydrophobicContact CE1-CD2 3.85Å; F328-F397 HydrophobicContact CE1-CE2 4.45Å; F328-F397 HydrophobicContact CE1-CG 4.01Å; V330-F397 CarbonylContact O-C 3.53Å; V330-F397 WeakPolarHBondContact O-CA 3.47Å; V330-F397 WeakPolarHBondContact O-CB 3.42Å; L331-F397 HydrophobicContact CD1-CB 3.65Å; I345-F397 HydrophobicContact CD1-CB 4.35Å; I345-F397 HydrophobicContact CD1-CD1 3.9Å; I345-F397 HydrophobicContact CD1-CE1 4.5Å; I345-F397 HydrophobicContact CD1-CG 4.2Å; L384-F397 HydrophobicContact CD2-CE1 4.22Å; L384-F397 HydrophobicContact CD2-CE2 3.92Å; L384-F397 HydrophobicContact CD2-CZ 3.57Å; Q386-F397 HydrophobicContact CB-CE1 4.07Å; Q386-F397 HydrophobicContact CG-CD1 4.29Å; Q386-F397 HydrophobicContact CG-CE1 4.12Å; Q386-F397 VanDerWaalsContact OE1-CE1 3.22Å; F397-A399 HydrophobicContact CD2-CB 3.87Å; F397-A399 HydrophobicContact CE2-CB 4.06Å |
| 398 | K | 93.9 | Very high | 86 | Confident | 57 Ų | 57 | 38.6 Ų | 38.6 | 25% | 0.248 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 120.6 | 163.5 | -178.5 | -173.6 | -177.5 | -153.7 | 0 | 107.1 | T293 M295 E329 V330 | T293-K398 HydrophobicContact CG2-CD 4.36Å; T293-K398 HydrophobicContact CG2-CG 3.84Å; M295-K398 HydrophobicContact CE-CB 4.02Å; M295-K398 HydrophobicContact CE-CD 3.32Å; M295-K398 HydrophobicContact CE-CG 3.49Å; M295-K398 VanDerWaalsContact CE-CG 3.49Å; M295-K398 HydrophobicContact CG-CB 4.09Å; M295-K398 HydrophobicContact CG-CG 3.86Å; E329-K398 PolarHBondContact N-O 2.91Å; E329-K398 WeakPolarHBondContact OE2-CD 3.34Å; E329-K398 WeakPolarHBondContact OE2-CE 3.43Å; E329-K398 IonicContact OE2-NZ 3.84Å; E329-K398 PolarHBondContact OE2-NZ 3.05Å; V330-K398 HydrophobicContact CB-CB 4.28Å; V330-K398 PolarHBondContact N-O 2.88Å; V330-K398 VanDerWaalsContact N-O 3.09Å; V330-K398 PolarHBondContact O-N 3.4Å |
| 399 | A | 95.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 144.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T293 I294 L326 H327 F328 F397 | T293-A399 CarbonylContact C-O 3.48Å; T293-A399 WeakPolarHBondContact CA-O 3.17Å; I294-A399 HydrophobicContact CG1-CB 4.16Å; I294-A399 PolarHBondContact N-O 3.17Å; I294-A399 PolarHBondContact O-N 2.79Å; L326-A399 HydrophobicContact CD1-CB 3.72Å; H327-A399 CarbonylContact O-C 3.49Å; H327-A399 WeakPolarHBondContact O-CA 3.16Å; H327-A399 WeakPolarHBondContact O-CB 3.47Å; F328-A399 HydrophobicContact CD1-CB 3.75Å; F328-A399 HydrophobicContact CE1-CB 3.98Å; F328-A399 HydrophobicContact CG-CB 4.29Å; F397-A399 HydrophobicContact CD2-CB 3.87Å; F397-A399 HydrophobicContact CE2-CB 4.06Å |
| 400 | V | 96.4 | Very high | 85.7 | Confident | 24 Ų | 24 | 41.6 Ų | 41.6 | 15% | 0.145 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 124.4 | 172 | -179.8 | 0 | 0 | 0 | 0 | 107.8 | H327 E329 | H327-V400 PolarHBondContact N-O 3.4Å; H327-V400 PolarHBondContact O-N 2.78Å; E329-V400 HydrophobicContact CG-CG2 4Å; E329-V400 WeakPolarHBondContact OE1-CG2 3.36Å |
| 401 | V | 96.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 116.9 | 173.1 | 175.9 | 0 | 0 | 0 | 0 | 107.1 | E291 V292 I294 I312 V324 L325 L326 F403 | E291-V401 CarbonylContact C-O 3.55Å; E291-V401 VanDerWaalsContact CA-O 3.3Å; E291-V401 WeakPolarHBondContact CA-O 3.45Å; V292-V401 PolarHBondContact N-O 3.23Å; V292-V401 PolarHBondContact O-N 2.69Å; I294-V401 HydrophobicContact CD1-CG2 3.81Å; I294-V401 HydrophobicContact CG1-CG2 3.91Å; I312-V401 HydrophobicContact CD1-CG2 3.91Å; I312-V401 HydrophobicContact CG2-CG1 3.54Å; V324-V401 HydrophobicContact CG1-CG1 3.93Å; L325-V401 CarbonylContact O-C 3.55Å; L325-V401 WeakPolarHBondContact O-CA 3.08Å; L326-V401 HydrophobicContact CD1-CG2 3.75Å; V401-F403 HydrophobicContact CG1-CE1 4.32Å; V401-F403 HydrophobicContact CG1-CE2 3.95Å; V401-F403 HydrophobicContact CG1-CZ 3.83Å |
| 402 | K | 94.5 | Very high | 85.6 | Confident | 58 Ų | 58 | 39.3 Ų | 39.3 | 25% | 0.252 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 131.1 | 174.5 | -179 | -179.5 | -169.4 | -158.4 | 0 | 109.4 | E291 L325 E404 | E291-K402 HydrophobicContact CG-CB 3.78Å; E291-K402 HydrophobicContact CG-CD 4.24Å; E291-K402 HydrophobicContact CG-CG 3.62Å; E291-K402 WeakPolarHBondContact OE1-CD 3.36Å; E291-K402 WeakPolarHBondContact OE1-CE 3.32Å; E291-K402 WeakPolarHBondContact OE1-CG 3.22Å; L325-K402 HydrophobicContact CB-CB 4.2Å; L325-K402 HydrophobicContact CD1-CD 4.42Å; L325-K402 PolarHBondContact N-O 3Å; L325-K402 PolarHBondContact O-N 3.3Å; K402-E404 HydrophobicContact CD-CG 4.11Å; K402-E404 VanDerWaalsContact CE-OE1 3.27Å; K402-E404 WeakPolarHBondContact CE-OE1 3.35Å; K402-E404 HydrophobicContact CG-CG 4.09Å; K402-E404 IonicContact NZ-OE1 3.79Å; K402-E404 PolarHBondContact NZ-OE1 2.8Å |
| 403 | F | 93.3 | Very high | 85.8 | Confident | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 125.6 | 171.2 | -61.2 | -78.5 | 0 | 0 | 0 | 108.8 | I284 E289 N290 V292 I312 V324 V401 | I284-F403 HydrophobicContact CG2-CE2 4.3Å; I284-F403 HydrophobicContact CG2-CZ 4.08Å; E289-F403 WeakPolarHBondContact CA-O 3.34Å; N290-F403 WeakPolarHBondContact O-CD2 3.06Å; N290-F403 PolarHBondContact O-N 2.96Å; V292-F403 HydrophobicContact CG2-CE2 4.39Å; I312-F403 HydrophobicContact CG2-CE1 3.69Å; I312-F403 HydrophobicContact CG2-CZ 3.65Å; V324-F403 HydrophobicContact CG2-CD1 4.1Å; V324-F403 HydrophobicContact CG2-CE1 3.9Å; V401-F403 HydrophobicContact CG1-CE1 4.32Å; V401-F403 HydrophobicContact CG1-CE2 3.95Å; V401-F403 HydrophobicContact CG1-CZ 3.83Å |
| 404 | E | 88.9 | Confident | 85.5 | Confident | 30 Ų | 30 | 36.1 Ų | 36.1 | 14% | 0.14 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 146.6 | 176.1 | -69 | -171.1 | 171.2 | 0 | 0 | 110.3 | E322 K323 L325 K402 D406 | E322-E404 CarbonylContact C-O 3.54Å; E322-E404 WeakPolarHBondContact CA-O 3.38Å; E322-E404 WeakPolarHBondContact CB-O 3.47Å; K323-E404 WeakPolarHBondContact CE-OE2 3.37Å; K323-E404 HydrophobicContact CG-CB 4.21Å; K323-E404 PolarHBondContact N-O 3.41Å; K323-E404 IonicContact NZ-OE2 3.19Å; K323-E404 PolarHBondContact O-N 2.83Å; K323-E404 VanDerWaalsContact O-N 3.08Å; L325-E404 HydrophobicContact CD1-CG 3.93Å; L325-E404 VanDerWaalsContact CD1-OE1 3.32Å; L325-E404 WeakPolarHBondContact CD1-OE1 3.32Å; L325-E404 WeakPolarHBondContact CD1-OE2 3.39Å; K402-E404 HydrophobicContact CD-CG 4.11Å; K402-E404 VanDerWaalsContact CE-OE1 3.27Å; K402-E404 WeakPolarHBondContact CE-OE1 3.35Å; K402-E404 HydrophobicContact CG-CG 4.09Å; K402-E404 IonicContact NZ-OE1 3.79Å; K402-E404 PolarHBondContact NZ-OE1 2.8Å; E404-D406 PolarHBondContact O-N 3.06Å |
| 405 | T | 85.4 | Confident | 84.8 | Confident | 34 Ų | 34 | 38.1 Ų | 38.1 | 21% | 0.209 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 122.7 | 172.7 | -67.6 | 0 | 0 | 0 | 0 | 109.9 | E289 F407 | E289-T405 PolarHBondContact OE1-OG1 3.09Å; T405-F407 HydrophobicContact CG2-CD1 4.08Å; T405-F407 HydrophobicContact CG2-CD2 4.37Å; T405-F407 HydrophobicContact CG2-CE1 3.67Å; T405-F407 HydrophobicContact CG2-CE2 4Å; T405-F407 HydrophobicContact CG2-CG 4.42Å; T405-F407 HydrophobicContact CG2-CZ 3.63Å |
| 406 | D | 85.3 | Confident | 83.9 | Confident | 44 Ų | 44 | 41 Ų | 41 | 24% | 0.235 | 25% | 0.254 | C | S | . | . | trans | -98.3 | 108 | 172.8 | -178.2 | 11.6 | 0 | 0 | 0 | 110 | L321 K323 E404 G408 | L321-D406 WeakPolarHBondContact CD2-O 3.12Å; L321-D406 HydrophobicContact CG-CB 4.31Å; L321-D406 PolarHBondContact O-N 3.43Å; K323-D406 HydrophobicContact CB-CB 4.02Å; K323-D406 HydrophobicContact CD-CB 4.23Å; K323-D406 HydrophobicContact CG-CB 4.08Å; E404-D406 PolarHBondContact O-N 3.06Å; D406-G408 VanDerWaalsContact C-N 3.28Å; D406-G408 PolarHBondContact O-N 2.74Å; D406-G408 PolarHBondContact OD1-N 3.49Å | ||
| 407 | F | 84.4 | Confident | 82.6 | Confident | 34 Ų | 34 | 43 Ų | 43 | 15% | 0.149 | 27% | 0.267 | C | S | . | . | trans | -78.6 | -9.6 | 176.6 | -59.7 | -76.7 | 0 | 0 | 0 | 113 | T405 I409 C420 F422 P437 R438 | T405-F407 HydrophobicContact CG2-CD1 4.08Å; T405-F407 HydrophobicContact CG2-CD2 4.37Å; T405-F407 HydrophobicContact CG2-CE1 3.67Å; T405-F407 HydrophobicContact CG2-CE2 4Å; T405-F407 HydrophobicContact CG2-CG 4.42Å; T405-F407 HydrophobicContact CG2-CZ 3.63Å; F407-I409 HydrophobicContact CB-CD1 3.79Å; F407-I409 HydrophobicContact CB-CG1 4.13Å; F407-I409 PolarHBondContact O-N 2.81Å; F407-C420 HydrophobicContact CD1-CB 3.97Å; F407-C420 VanDerWaalsContact CD1-SG 3.52Å; F407-C420 HydrophobicContact CD2-CB 4.38Å; F407-C420 HydrophobicContact CE1-CB 3.59Å; F407-C420 HydrophobicContact CE2-CB 4.02Å; F407-C420 HydrophobicContact CG-CB 4.35Å; F407-C420 HydrophobicContact CZ-CB 3.62Å; F407-F422 HydrophobicContact CB-CE2 4.27Å; F407-F422 HydrophobicContact CB-CZ 4.04Å; F407-F422 HydrophobicContact CD2-CE2 4.2Å; F407-F422 AromaticContact CD2-CZ 3.94Å; F407-F422 HydrophobicContact CD2-CZ 3.94Å; F407-F422 HydrophobicContact CG-CE2 4.41Å; F407-F422 HydrophobicContact CG-CZ 4.33Å; F407-P437 HydrophobicContact CB-CB 4.5Å; F407-P437 HydrophobicContact CD1-CB 4.22Å; F407-P437 HydrophobicContact CD1-CG 4.41Å; F407-P437 CarbonylContact O-C 3.56Å; F407-P437 VanDerWaalsContact O-CA 3.29Å; F407-P437 WeakPolarHBondContact O-CA 3.16Å; F407-R438 PolarHBondContact O-N 3.41Å | ||
| 408 | G | 81.6 | Confident | 81.5 | Confident | 31 Ų | 31 | 46.1 Ų | 46.1 | 32% | 0.32 | 28% | 0.283 | S | S | . | . | trans | 61.8 | 29.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D406 N435 | D406-G408 VanDerWaalsContact C-N 3.28Å; D406-G408 PolarHBondContact O-N 2.74Å; D406-G408 PolarHBondContact OD1-N 3.49Å; G408-N435 PolarHBondContact O-ND2 3.44Å | ||
| 409 | I | 84 | Confident | 81 | Confident | 16 Ų | 16 | 49.5 Ų | 49.5 | 8% | 0.082 | 30% | 0.3 | C | S | . | . | trans | -100.8 | 119.3 | -179.7 | -66 | 163 | 0 | 0 | 0 | 108.3 | F407 G411 F422 F424 N435 P437 Y451 | F407-I409 HydrophobicContact CB-CD1 3.79Å; F407-I409 HydrophobicContact CB-CG1 4.13Å; F407-I409 PolarHBondContact O-N 2.81Å; I409-G411 PolarHBondContact O-N 2.83Å; I409-F422 HydrophobicContact CB-CD1 4.21Å; I409-F422 HydrophobicContact CB-CD2 4.22Å; I409-F422 HydrophobicContact CB-CE1 3.92Å; I409-F422 HydrophobicContact CB-CE2 3.95Å; I409-F422 HydrophobicContact CB-CG 4.36Å; I409-F422 HydrophobicContact CB-CZ 3.78Å; I409-F422 HydrophobicContact CD1-CD2 3.73Å; I409-F422 HydrophobicContact CD1-CE2 3.32Å; I409-F422 HydrophobicContact CD1-CZ 3.93Å; I409-F422 HydrophobicContact CG1-CE2 4.19Å; I409-F422 HydrophobicContact CG1-CZ 4.38Å; I409-F422 HydrophobicContact CG2-CB 4.42Å; I409-F422 HydrophobicContact CG2-CD1 3.88Å; I409-F422 HydrophobicContact CG2-CD2 3.95Å; I409-F422 HydrophobicContact CG2-CE1 4.12Å; I409-F422 HydrophobicContact CG2-CE2 4.21Å; I409-F422 HydrophobicContact CG2-CG 3.79Å; I409-F422 HydrophobicContact CG2-CZ 4.28Å; I409-F424 HydrophobicContact CG2-CZ 4.24Å; I409-N435 WeakPolarHBondContact CG1-O 3.15Å; I409-P437 HydrophobicContact CD1-CG 4.46Å; I409-Y451 HydrophobicContact CD1-CE1 3.62Å; I409-Y451 WeakPolarHBondContact CD1-OH 2.97Å; I409-Y451 HydrophobicContact CG1-CE1 4.17Å; I409-Y451 HydrophobicContact CG2-CD1 4.31Å; I409-Y451 HydrophobicContact CG2-CE1 3.85Å | ||
| 410 | P | 77.1 | Confident | 80.6 | Confident | 66 Ų | 66 | 50 Ų | 50 | 43% | 0.429 | 30% | 0.303 | S | S | . | . | trans | -65.6 | 122.2 | 173 | 26.3 | -31 | 0 | 0 | 0 | 108.4 | F424 V433 N435 | P410-F424 WeakPolarHBondContact O-CE1 3.14Å; P410-F424 WeakPolarHBondContact O-CZ 3.38Å; P410-V433 WeakPolarHBondContact CG-O 3.3Å; P410-N435 WeakPolarHBondContact CD-OD1 3.27Å | ||
| 411 | G | 71.1 | Confident | 80.4 | Confident | 44 Ų | 44 | 49.9 Ų | 49.9 | 45% | 0.454 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 156.7 | 174.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I409 | I409-G411 PolarHBondContact O-N 2.83Š|
| 412 | T | 77.1 | Confident | 80.2 | Confident | 85 Ų | 85 | 50.6 Ų | 50.6 | 52% | 0.521 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 121.9 | 170.1 | 51.3 | 0 | 0 | 0 | 0 | 109 | H423 | T412-H423 PolarHBondContact O-N 3.25Å; T412-H423 PolarHBondContact OG1-O 3.04Å |
| 413 | P | 76.4 | Confident | 80 | Confident | 82 Ų | 82 | 50.3 Ų | 50.3 | 53% | 0.532 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 149 | 170.6 | 25.8 | -32.2 | 0 | 0 | 0 | 109.9 | S415 F422 | P413-S415 VanDerWaalsContact C-N 3.25Å; P413-S415 PolarHBondContact O-N 3.28Å; P413-F422 HydrophobicContact CB-CE1 4.4Å |
| 414 | A | 69.9 | Low | 80.1 | Confident | 43 Ų | 43 | 50.7 Ų | 50.7 | 36% | 0.355 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -69.3 | -25.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | T421 H423 | A414-T421 HydrophobicContact CB-CG2 3.52Å; A414-T421 WeakPolarHBondContact CB-O 3.43Å; A414-T421 PolarHBondContact N-O 3.06Å; A414-H423 WeakPolarHBondContact CB-CD2 3.41Å; A414-H423 WeakPolarHBondContact CB-NE2 3.35Å |
| 415 | S | 65.5 | Low | 80.3 | Confident | 51 Ų | 51 | 52 Ų | 52 | 36% | 0.357 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -162.7 | 163.5 | -172.7 | 35.5 | 0 | 0 | 0 | 0 | 109.3 | P413 S417 | P413-S415 VanDerWaalsContact C-N 3.25Å; P413-S415 PolarHBondContact O-N 3.28Å; S415-S417 WeakPolarHBondContact CB-OG 3.3Å; S415-S417 PolarHBondContact O-N 3.26Å; S415-S417 VanDerWaalsContact O-N 3.12Å; S415-S417 PolarHBondContact OG-OG 2.92Å |
| 416 | D | 63.8 | Low | 80.7 | Confident | 154 Ų | 154 | 50.6 Ų | 50.6 | 82% | 0.824 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -70.9 | 4.1 | 171.4 | -55.1 | -34.3 | 0 | 0 | 0 | 112.7 | ||
| 417 | S | 61 | Low | 81 | Confident | 49 Ų | 49 | 54.8 Ų | 54.8 | 34% | 0.343 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -79.3 | 147.7 | 176.6 | 60 | 0 | 0 | 0 | 0 | 111 | S415 E419 | S415-S417 WeakPolarHBondContact CB-OG 3.3Å; S415-S417 PolarHBondContact O-N 3.26Å; S415-S417 VanDerWaalsContact O-N 3.12Å; S415-S417 PolarHBondContact OG-OG 2.92Å; S417-E419 PolarHBondContact O-N 2.92Å |
| 418 | N | 69.3 | Low | 81.3 | Confident | 66 Ų | 66 | 57.9 Ų | 57.9 | 35% | 0.353 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -65.8 | 18.2 | 173.1 | -61.4 | -25 | 0 | 0 | 0 | 114.3 | E289 | E289-N418 WeakPolarHBondContact OE1-CB 3.38Å; E289-N418 PolarHBondContact OE1-ND2 3.28Å; E289-N418 PolarHBondContact OE2-ND2 3.38Å |
| 419 | E | 82.8 | Confident | 81.9 | Confident | 128 Ų | 128 | 58.8 Ų | 58.8 | 60% | 0.598 | 36% | 0.356 | S | S | * | . | trans | -77.3 | 133.1 | 173.8 | -65.2 | -173.5 | 179.7 | 0 | 0 | 110.2 | S417 T421 | S417-E419 PolarHBondContact O-N 2.92Å; E419-T421 PolarHBondContact O-N 2.92Å | ||
| 420 | C | 88.4 | Confident | 82.4 | Confident | 9 Ų | 9 | 62 Ų | 62 | 6% | 0.061 | 37% | 0.373 | C | S | . | . | trans | -76.1 | 64.6 | 177.7 | -168.8 | 0 | 0 | 0 | 0 | 111.6 | F407 C449 V450 | F407-C420 HydrophobicContact CD1-CB 3.97Å; F407-C420 VanDerWaalsContact CD1-SG 3.52Å; F407-C420 HydrophobicContact CD2-CB 4.38Å; F407-C420 HydrophobicContact CE1-CB 3.59Å; F407-C420 HydrophobicContact CE2-CB 4.02Å; F407-C420 HydrophobicContact CG-CB 4.35Å; F407-C420 HydrophobicContact CZ-CB 3.62Å; C420-C449 HydrophobicContact CB-CB 3.88Å; C420-C449 WeakPolarHBondContact CB-SG 3.22Å; C420-C449 CarbonylContact O-C 3.55Å; C420-C449 VanDerWaalsContact O-CA 3.25Å; C420-C449 WeakPolarHBondContact O-CA 3.47Å; C420-C449 WeakPolarHBondContact SG-CB 3.49Å; C420-C449 CovalentContact SG-SG 2.02Å; C420-C449 PolarHBondContact SG-SG 2.7Å; C420-V450 PolarHBondContact O-N 2.94Å | ||
| 421 | T | 91.6 | Very high | 83.2 | Confident | 22 Ų | 22 | 64.1 Ų | 64.1 | 14% | 0.135 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 126.9 | -179.3 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | A414 E419 V450 | A414-T421 HydrophobicContact CB-CG2 3.52Å; A414-T421 WeakPolarHBondContact CB-O 3.43Å; A414-T421 PolarHBondContact N-O 3.06Å; E419-T421 PolarHBondContact O-N 2.92Å; T421-V450 CarbonylContact C-O 3.58Å; T421-V450 VanDerWaalsContact CA-O 3.26Å; T421-V450 WeakPolarHBondContact CA-O 3.41Å; T421-V450 HydrophobicContact CG2-CB 4.11Å; T421-V450 HydrophobicContact CG2-CG1 4.32Å |
| 422 | F | 92 | Very high | 84.3 | Confident | 15 Ų | 15 | 63.1 Ų | 63.1 | 7% | 0.066 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 139.6 | -175.3 | -65.2 | -91.5 | 0 | 0 | 0 | 112 | F407 I409 P413 F424 V450 Y451 W452 | F407-F422 HydrophobicContact CB-CE2 4.27Å; F407-F422 HydrophobicContact CB-CZ 4.04Å; F407-F422 HydrophobicContact CD2-CE2 4.2Å; F407-F422 AromaticContact CD2-CZ 3.94Å; F407-F422 HydrophobicContact CD2-CZ 3.94Å; F407-F422 HydrophobicContact CG-CE2 4.41Å; F407-F422 HydrophobicContact CG-CZ 4.33Å; I409-F422 HydrophobicContact CB-CD1 4.21Å; I409-F422 HydrophobicContact CB-CD2 4.22Å; I409-F422 HydrophobicContact CB-CE1 3.92Å; I409-F422 HydrophobicContact CB-CE2 3.95Å; I409-F422 HydrophobicContact CB-CG 4.36Å; I409-F422 HydrophobicContact CB-CZ 3.78Å; I409-F422 HydrophobicContact CD1-CD2 3.73Å; I409-F422 HydrophobicContact CD1-CE2 3.32Å; I409-F422 HydrophobicContact CD1-CZ 3.93Å; I409-F422 HydrophobicContact CG1-CE2 4.19Å; I409-F422 HydrophobicContact CG1-CZ 4.38Å; I409-F422 HydrophobicContact CG2-CB 4.42Å; I409-F422 HydrophobicContact CG2-CD1 3.88Å; I409-F422 HydrophobicContact CG2-CD2 3.95Å; I409-F422 HydrophobicContact CG2-CE1 4.12Å; I409-F422 HydrophobicContact CG2-CE2 4.21Å; I409-F422 HydrophobicContact CG2-CG 3.79Å; I409-F422 HydrophobicContact CG2-CZ 4.28Å; P413-F422 HydrophobicContact CB-CE1 4.4Å; F422-F424 HydrophobicContact CB-CE2 3.74Å; F422-F424 HydrophobicContact CB-CZ 4.24Å; F422-V450 PolarHBondContact N-O 2.82Å; F422-Y451 HydrophobicContact CB-CD1 4.37Å; F422-Y451 HydrophobicContact CD2-CE1 4.48Å; F422-Y451 CarbonylContact O-C 3.56Å; F422-Y451 WeakPolarHBondContact O-CA 3.49Å; F422-W452 PolarHBondContact O-N 2.58Å |
| 423 | H | 92.1 | Very high | 85.1 | Confident | 52 Ų | 52 | 60.5 Ų | 60.5 | 24% | 0.241 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 136.4 | 175.8 | -70.9 | -92.7 | 0 | 0 | 0 | 111.8 | T412 A414 W452 N454 | T412-H423 PolarHBondContact O-N 3.25Å; T412-H423 PolarHBondContact OG1-O 3.04Å; A414-H423 WeakPolarHBondContact CB-CD2 3.41Å; A414-H423 WeakPolarHBondContact CB-NE2 3.35Å; H423-W452 AromaticContact CE1-CD1 3.36Å; H423-W452 AromaticContact CE1-CG 3.5Å; H423-W452 WeakPolarHBondContact ND1-CB 3.42Å; H423-W452 AromaticContact ND1-CD1 3.93Å; H423-W452 AromaticContact ND1-CG 3.74Å; H423-W452 AromaticContact NE2-CD1 3.66Å; H423-N454 PolarHBondContact ND1-ND2 3.49Å |
| 424 | F | 94.1 | Very high | 86 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 4% | 0.039 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 106.3 | 176.9 | -60.7 | -91.7 | 0 | 0 | 0 | 108.3 | I409 P410 F422 F434 Y451 W452 L453 N454 Y538 F540 | I409-F424 HydrophobicContact CG2-CZ 4.24Å; P410-F424 WeakPolarHBondContact O-CE1 3.14Å; P410-F424 WeakPolarHBondContact O-CZ 3.38Å; F422-F424 HydrophobicContact CB-CE2 3.74Å; F422-F424 HydrophobicContact CB-CZ 4.24Å; F424-F434 HydrophobicContact CE1-CB 4.4Å; F424-F434 HydrophobicContact CE2-CB 4.17Å; F424-F434 HydrophobicContact CZ-CB 3.76Å; F424-Y451 HydrophobicContact CE2-CD1 4.09Å; F424-W452 PolarHBondContact N-O 3.39Å; F424-L453 HydrophobicContact CB-CD2 3.75Å; F424-L453 HydrophobicContact CD2-CD2 3.66Å; F424-L453 HydrophobicContact CE2-CD2 4.49Å; F424-L453 HydrophobicContact CG-CD2 3.82Å; F424-N454 PolarHBondContact O-N 3.4Å; F424-Y538 HydrophobicContact CB-CE1 4.15Å; F424-Y538 HydrophobicContact CB-CE2 4.37Å; F424-Y538 AromaticContact CD1-CE1 3.48Å; F424-Y538 HydrophobicContact CD1-CE1 3.48Å; F424-Y538 VanDerWaalsContact CD1-CE1 3.48Å; F424-Y538 AromaticContact CD1-CZ 3.7Å; F424-Y538 WeakPolarHBondContact CD1-OH 3.22Å; F424-Y538 HydrophobicContact CE1-CE1 4.02Å; F424-Y538 AromaticContact CG-CE1 3.93Å; F424-Y538 HydrophobicContact CG-CE1 3.93Å; F424-F540 WeakPolarHBondContact O-CZ 3.41Å |
| 425 | N | 93.6 | Very high | 87.2 | Confident | 57 Ų | 57 | 55 Ų | 55 | 31% | 0.305 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 133.9 | -174.1 | -62.3 | -59.8 | 0 | 0 | 0 | 110.6 | L427 S428 S429 N454 | N425-L427 HydrophobicContact CB-CB 4.48Å; N425-L427 PolarHBondContact O-N 2.64Å; N425-S428 PolarHBondContact O-N 2.78Å; N425-S428 PolarHBondContact O-OG 2.66Å; N425-S429 PolarHBondContact O-N 3.29Å; N425-N454 WeakPolarHBondContact OD1-CB 3.41Å; N425-N454 PolarHBondContact OD1-ND2 3.3Å |
| 426 | S | 94 | Very high | 88.6 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 4% | 0.035 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -8.7 | 174.2 | 77 | 0 | 0 | 0 | 0 | 113.9 | S429 N454 R456 Q459 | S426-S429 WeakPolarHBondContact CA-O 3.47Å; S426-N454 PolarHBondContact N-O 3.47Å; S426-R456 WeakPolarHBondContact OG-CG 3.27Å; S426-R456 PolarHBondContact OG-N 3.3Å; S426-Q459 PolarHBondContact OG-OE1 2.84Å |
| 427 | L | 92.3 | Very high | 89.9 | Confident | 132 Ų | 132 | 45.3 Ų | 45.3 | 69% | 0.691 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -39.7 | 170.5 | -67 | 176.1 | 0 | 0 | 0 | 112.1 | N425 | N425-L427 HydrophobicContact CB-CB 4.48Å; N425-L427 PolarHBondContact O-N 2.64Å |
| 428 | S | 90.4 | Very high | 91.1 | Very high | 100 Ų | 100 | 44.3 Ų | 44.3 | 70% | 0.699 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -46.6 | -179 | 55.2 | 0 | 0 | 0 | 0 | 111.4 | N425 | N425-S428 PolarHBondContact O-N 2.78Å; N425-S428 PolarHBondContact O-OG 2.66Å |
| 429 | S | 92.8 | Very high | 92 | Very high | 50 Ų | 50 | 43.7 Ų | 43.7 | 35% | 0.35 | 24% | 0.237 | S | C | . | . | trans | -148.8 | 138.4 | 175.4 | -174.7 | 0 | 0 | 0 | 0 | 112.1 | N425 S426 E431 | N425-S429 PolarHBondContact O-N 3.29Å; S426-S429 WeakPolarHBondContact CA-O 3.47Å; S429-E431 VanDerWaalsContact C-N 3.28Å; S429-E431 WeakPolarHBondContact CB-O 3.35Å; S429-E431 PolarHBondContact O-N 2.78Å; S429-E431 PolarHBondContact OG-N 2.64Å; S429-E431 PolarHBondContact OG-O 3.12Å | ||
| 430 | N | 94.2 | Very high | 92.3 | Very high | 83 Ų | 83 | 41.9 Ų | 41.9 | 44% | 0.444 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -78.1 | -11.1 | 175.4 | -79.5 | -44.7 | 0 | 0 | 0 | 113.3 | Q459 R539 F540 | N430-Q459 PolarHBondContact OD1-NE2 2.83Å; N430-R539 CarbonylContact O-C 3.57Å; N430-R539 WeakPolarHBondContact O-CA 3.45Å; N430-F540 PolarHBondContact O-N 2.73Å |
| 431 | E | 94.6 | Very high | 92.2 | Very high | 111 Ų | 111 | 47.3 Ų | 47.3 | 52% | 0.519 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 158.3 | 178.8 | 63.3 | -169.9 | -168.7 | 0 | 0 | 111.3 | S429 Y538 R539 | S429-E431 VanDerWaalsContact C-N 3.28Å; S429-E431 WeakPolarHBondContact CB-O 3.35Å; S429-E431 PolarHBondContact O-N 2.78Å; S429-E431 PolarHBondContact OG-N 2.64Å; S429-E431 PolarHBondContact OG-O 3.12Å; E431-Y538 VanDerWaalsContact CA-O 3.26Å; E431-Y538 WeakPolarHBondContact CA-O 3.25Å; E431-R539 HydrophobicContact CB-CB 4.4Å; E431-R539 HydrophobicContact CB-CG 4.24Å |
| 432 | G | 94.5 | Very high | 92.1 | Very high | 23 Ų | 23 | 49.3 Ų | 49.3 | 24% | 0.237 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.6 | -172.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | H537 Y538 | G432-H537 CarbonylContact O-C 3.55Å; G432-H537 WeakPolarHBondContact O-CA 3.24Å; G432-Y538 VanDerWaalsContact CA-CE1 3.47Å; G432-Y538 PolarHBondContact N-O 2.73Å; G432-Y538 WeakPolarHBondContact O-CD1 3.4Å; G432-Y538 PolarHBondContact O-N 2.98Å |
| 433 | V | 94.5 | Very high | 92.1 | Very high | 30 Ų | 30 | 48.6 Ų | 48.6 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 148 | -178.2 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | P410 R535 A536 H537 | P410-V433 WeakPolarHBondContact CG-O 3.3Å; V433-R535 HydrophobicContact CG1-CG 3.77Å; V433-A536 CarbonylContact C-O 3.55Å; V433-A536 VanDerWaalsContact CA-O 3.26Å; V433-A536 WeakPolarHBondContact CA-O 3.49Å; V433-A536 WeakPolarHBondContact CG1-O 3.41Å; V433-H537 WeakPolarHBondContact CG2-ND1 3.48Å |
| 434 | F | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 154.7 | 164.3 | 69.1 | -75.9 | 0 | 0 | 0 | 109 | F424 Y451 L453 I463 A521 F534 A536 Y538 | F424-F434 HydrophobicContact CE1-CB 4.4Å; F424-F434 HydrophobicContact CE2-CB 4.17Å; F424-F434 HydrophobicContact CZ-CB 3.76Å; F434-Y451 HydrophobicContact CB-CD1 4.07Å; F434-Y451 HydrophobicContact CB-CE1 4.34Å; F434-Y451 AromaticContact CD2-CD1 3.78Å; F434-Y451 HydrophobicContact CD2-CD1 3.78Å; F434-Y451 HydrophobicContact CD2-CD2 4.31Å; F434-Y451 HydrophobicContact CD2-CE1 4.05Å; F434-Y451 AromaticContact CD2-CG 3.92Å; F434-Y451 HydrophobicContact CD2-CG 3.92Å; F434-Y451 HydrophobicContact CE2-CG 4.46Å; F434-Y451 HydrophobicContact CG-CD1 4.3Å; F434-L453 HydrophobicContact CE1-CD1 4.17Å; F434-I463 HydrophobicContact CE1-CG2 4.12Å; F434-I463 HydrophobicContact CZ-CG2 4.17Å; F434-A521 HydrophobicContact CE2-CB 4.34Å; F434-F534 AromaticContact CD2-CE2 3.89Å; F434-F534 HydrophobicContact CD2-CE2 3.89Å; F434-F534 AromaticContact CE2-CE2 3.76Å; F434-F534 HydrophobicContact CE2-CE2 3.76Å; F434-A536 HydrophobicContact CD1-CB 3.99Å; F434-A536 HydrophobicContact CE1-CB 3.49Å; F434-A536 VanDerWaalsContact CE1-CB 3.49Å; F434-A536 HydrophobicContact CE2-CB 4.1Å; F434-A536 HydrophobicContact CG-CB 4.5Å; F434-A536 HydrophobicContact CZ-CB 3.55Å; F434-A536 PolarHBondContact N-O 2.77Å; F434-A536 PolarHBondContact O-N 3.22Å; F434-A536 VanDerWaalsContact O-O 3.1Å; F434-Y538 HydrophobicContact CD1-CD1 4.01Å |
| 435 | N | 95.2 | Very high | 91.7 | Very high | 9 Ų | 9 | 48 Ų | 48 | 5% | 0.048 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 164.6 | -177.4 | 46.4 | -100.2 | 0 | 0 | 0 | 111 | G408 I409 P410 Y439 Y451 F534 R535 | G408-N435 PolarHBondContact O-ND2 3.44Å; I409-N435 WeakPolarHBondContact CG1-O 3.15Å; P410-N435 WeakPolarHBondContact CD-OD1 3.27Å; N435-Y439 HydrophobicContact CB-CD1 4.35Å; N435-Y439 HydrophobicContact CB-CG 4.01Å; N435-Y451 WeakPolarHBondContact O-CE1 2.96Å; N435-Y451 PolarHBondContact O-OH 3.04Å; N435-F534 CarbonylContact C-O 3.48Å; N435-F534 WeakPolarHBondContact CA-O 3.3Å; N435-F534 WeakPolarHBondContact CB-O 3.34Å; N435-R535 HydrophobicContact CB-CB 4.39Å |
| 436 | S | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -58.3 | 156.7 | 164 | 54.3 | 0 | 0 | 0 | 0 | 110.2 | R438 Y439 G533 F534 | S436-R438 PolarHBondContact O-N 2.97Å; S436-Y439 PolarHBondContact O-N 2.79Å; S436-G533 VanDerWaalsContact OG-CA 3.3Å; S436-G533 WeakPolarHBondContact OG-CA 3.39Å; S436-F534 PolarHBondContact N-O 2.83Å; S436-F534 PolarHBondContact OG-N 2.86Å; S436-F534 PolarHBondContact OG-O 3.28Å |
| 437 | P | 91.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 140.3 | 176.2 | -27.6 | 36.6 | 0 | 0 | 0 | 112.1 | F407 I409 Y439 P444 C449 | F407-P437 HydrophobicContact CB-CB 4.5Å; F407-P437 HydrophobicContact CD1-CB 4.22Å; F407-P437 HydrophobicContact CD1-CG 4.41Å; F407-P437 CarbonylContact O-C 3.56Å; F407-P437 VanDerWaalsContact O-CA 3.29Å; F407-P437 WeakPolarHBondContact O-CA 3.16Å; I409-P437 HydrophobicContact CD1-CG 4.46Å; P437-Y439 PolarHBondContact O-N 3.29Å; P437-Y439 VanDerWaalsContact O-N 3.16Å; P437-P444 HydrophobicContact CB-CG 4.36Å; P437-C449 HydrophobicContact CG-CB 4.3Å; P437-C449 WeakPolarHBondContact CG-SG 3.31Å |
| 438 | R | 86.8 | Confident | 91.2 | Very high | 29 Ų | 29 | 49.4 Ų | 49.4 | 11% | 0.109 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 6.2 | 174.1 | -52.9 | 177.7 | 59.2 | -144.8 | 8.7 | 116.4 | G317 A318 L321 F407 S436 E441 N442 | G317-R438 PolarHBondContact O-NH2 3.02Å; A318-R438 PolarHBondContact O-NH1 2.82Å; L321-R438 HydrophobicContact CB-CG 4.23Å; L321-R438 HydrophobicContact CD2-CG 4.08Å; F407-R438 PolarHBondContact O-N 3.41Å; S436-R438 PolarHBondContact O-N 2.97Å; R438-E441 HydrophobicContact CB-CB 4.22Å; R438-E441 WeakPolarHBondContact O-CA 3.49Å; R438-E441 VanDerWaalsContact O-CB 3.23Å; R438-E441 WeakPolarHBondContact O-CB 3.41Å; R438-E441 PolarHBondContact O-N 2.75Å; R438-N442 PolarHBondContact NH1-O 3.36Å |
| 439 | Y | 89.3 | Confident | 91.4 | Very high | 52 Ų | 52 | 44.7 Ų | 44.7 | 20% | 0.204 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 130.9 | 178.6 | -179.8 | -83.1 | 0 | 0 | 0 | 111.7 | N435 S436 P437 Q467 T532 R535 | N435-Y439 HydrophobicContact CB-CD1 4.35Å; N435-Y439 HydrophobicContact CB-CG 4.01Å; S436-Y439 PolarHBondContact O-N 2.79Å; P437-Y439 PolarHBondContact O-N 3.29Å; P437-Y439 VanDerWaalsContact O-N 3.16Å; Y439-Q467 HydrophobicContact CE2-CB 4.45Å; Y439-Q467 PolarHBondContact OH-OE1 3.14Å; Y439-T532 WeakPolarHBondContact CD2-O 3.4Å; Y439-R535 HydrophobicContact CD1-CB 4.32Å; Y439-R535 HydrophobicContact CD2-CB 4.3Å; Y439-R535 HydrophobicContact CE1-CB 3.91Å; Y439-R535 HydrophobicContact CE1-CG 4.25Å; Y439-R535 HydrophobicContact CE2-CB 3.85Å |
| 440 | P | 87.7 | Confident | 91.5 | Very high | 90 Ų | 90 | 43.1 Ų | 43.1 | 58% | 0.584 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -88.8 | 1.1 | 13.7 | 36.2 | -37.2 | 0 | 0 | 0 | 115.6 | ||
| 441 | E | 86.9 | Confident | 91.6 | Very high | 123 Ų | 123 | 39.2 Ų | 39.2 | 58% | 0.575 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -69.8 | 167 | 173 | -60.2 | -64.7 | 158 | 0 | 0 | 111.2 | R438 Y443 | R438-E441 HydrophobicContact CB-CB 4.22Å; R438-E441 WeakPolarHBondContact O-CA 3.49Å; R438-E441 VanDerWaalsContact O-CB 3.23Å; R438-E441 WeakPolarHBondContact O-CB 3.41Å; R438-E441 PolarHBondContact O-N 2.75Å; E441-Y443 PolarHBondContact O-N 3.04Å |
| 442 | N | 90.1 | Very high | 91.6 | Very high | 64 Ų | 64 | 36.6 Ų | 36.6 | 34% | 0.342 | 20% | 0.2 | S | C | . | . | P | Polyproline II helix | trans | -65.8 | 136.8 | 179 | -68.1 | -12 | 0 | 0 | 0 | 111.7 | R438 A531 T532 | R438-N442 PolarHBondContact NH1-O 3.36Å; N442-A531 WeakPolarHBondContact CA-O 3.26Å; N442-A531 PolarHBondContact OD1-O 2.97Å; N442-T532 PolarHBondContact OD1-N 3.18Å |
| 443 | Y | 91 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -65.2 | 152.7 | 171.5 | 53.6 | -98.9 | 0 | 0 | 0 | 111 | E441 L470 A471 D482 F523 T530 A531 G533 | E441-Y443 PolarHBondContact O-N 3.04Å; Y443-L470 HydrophobicContact CE1-CD2 3.82Å; Y443-A471 WeakPolarHBondContact OH-CB 3.41Å; Y443-A471 PolarHBondContact OH-N 3.47Å; Y443-D482 WeakPolarHBondContact CE2-OD2 3.18Å; Y443-D482 PolarHBondContact OH-OD2 3.2Å; Y443-F523 HydrophobicContact CD1-CE1 4.17Å; Y443-F523 AromaticContact CD1-CZ 3.8Å; Y443-F523 HydrophobicContact CD1-CZ 3.8Å; Y443-F523 AromaticContact CD2-CE1 3.89Å; Y443-F523 HydrophobicContact CD2-CE1 3.89Å; Y443-F523 AromaticContact CD2-CZ 3.7Å; Y443-F523 HydrophobicContact CD2-CZ 3.7Å; Y443-F523 AromaticContact CE1-CZ 3.91Å; Y443-F523 HydrophobicContact CE1-CZ 3.91Å; Y443-F523 HydrophobicContact CE2-CE1 4.45Å; Y443-F523 AromaticContact CE2-CZ 3.82Å; Y443-F523 HydrophobicContact CE2-CZ 3.82Å; Y443-F523 AromaticContact CG-CE1 3.73Å; Y443-F523 HydrophobicContact CG-CE1 3.73Å; Y443-F523 AromaticContact CG-CZ 3.7Å; Y443-F523 HydrophobicContact CG-CZ 3.7Å; Y443-F523 AromaticContact CZ-CZ 3.91Å; Y443-T530 HydrophobicContact CD2-CG2 4.28Å; Y443-T530 HydrophobicContact CE2-CG2 4.18Å; Y443-T530 WeakPolarHBondContact O-CB 3.44Å; Y443-T530 VanDerWaalsContact O-CG2 3.29Å; Y443-T530 WeakPolarHBondContact O-CG2 3.43Å; Y443-A531 WeakPolarHBondContact CD1-O 3.35Å; Y443-A531 HydrophobicContact CE1-CB 3.98Å; Y443-A531 WeakPolarHBondContact CE1-O 3.46Å; Y443-A531 PolarHBondContact N-O 3.06Å; Y443-A531 PolarHBondContact OH-N 2.87Å; Y443-G533 VanDerWaalsContact CD1-CA 3.46Å |
| 444 | P | 88.5 | Confident | 91.7 | Very high | 16 Ų | 16 | 35.5 Ų | 35.5 | 10% | 0.104 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -69.1 | 160.2 | 179 | 27.5 | -31.3 | 0 | 0 | 0 | 112.2 | P437 S447 S525 | P437-P444 HydrophobicContact CB-CG 4.36Å; P444-S447 PolarHBondContact O-OG 2.71Å; P444-S525 VanDerWaalsContact O-CB 3.29Å; P444-S525 WeakPolarHBondContact O-CB 3.31Å; P444-S525 PolarHBondContact O-OG 3.26Å |
| 445 | V | 89.1 | Confident | 91.8 | Very high | 32 Ų | 32 | 35.8 Ų | 35.8 | 19% | 0.194 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -79.2 | 159 | 173.2 | -60.2 | 0 | 0 | 0 | 0 | 110.2 | S447 D526 I527 R528 T530 | V445-S447 PolarHBondContact O-N 2.92Å; V445-D526 CarbonylContact C-O 3.51Å; V445-D526 WeakPolarHBondContact CA-O 3.45Å; V445-D526 WeakPolarHBondContact CB-O 3.36Å; V445-I527 WeakPolarHBondContact CG1-O 3.3Å; V445-R528 HydrophobicContact CG1-CG 4.04Å; V445-T530 HydrophobicContact CB-CG2 4.46Å; V445-T530 HydrophobicContact CG1-CG2 3.37Å |
| 446 | D | 87.4 | Confident | 91.8 | Very high | 128 Ų | 128 | 42.2 Ų | 42.2 | 68% | 0.684 | 22% | 0.215 | S | C | * | . | S | Bend | trans | 49.8 | 43.4 | 172.9 | -162.8 | 29.9 | 0 | 0 | 0 | 113 | S525 D526 | D446-S525 VanDerWaalsContact CA-O 3.23Å; D446-S525 WeakPolarHBondContact CA-O 3.44Å; D446-S525 PolarHBondContact N-O 2.87Å; D446-S525 PolarHBondContact N-OG 2.57Å; D446-D526 PolarHBondContact N-O 2.81Å |
| 447 | S | 89.2 | Confident | 91.8 | Very high | 20 Ų | 20 | 47.8 Ų | 47.8 | 14% | 0.14 | 25% | 0.249 | C | C | . | . | trans | -120 | 145 | -174.5 | 78.4 | 0 | 0 | 0 | 0 | 111.3 | P444 V445 S525 | P444-S447 PolarHBondContact O-OG 2.71Å; V445-S447 PolarHBondContact O-N 2.92Å; S447-S525 WeakPolarHBondContact CB-OG 2.91Å; S447-S525 PolarHBondContact N-O 3.44Å; S447-S525 PolarHBondContact N-OG 3.08Å; S447-S525 PolarHBondContact O-N 2.7Å; S447-S525 PolarHBondContact O-OG 2.82Å; S447-S525 PolarHBondContact OG-OG 2.92Å | ||
| 448 | T | 93.3 | Very high | 91.9 | Very high | 76 Ų | 76 | 50.1 Ų | 50.1 | 47% | 0.466 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 124.7 | 173.5 | -60.3 | 0 | 0 | 0 | 0 | 109.4 | V522 F523 F524 | T448-V522 HydrophobicContact CG2-CG1 3.86Å; T448-F523 CarbonylContact C-O 3.59Å; T448-F523 WeakPolarHBondContact CA-O 3.46Å; T448-F524 HydrophobicContact CG2-CD1 3.85Å; T448-F524 HydrophobicContact CG2-CE1 3.61Å; T448-F524 HydrophobicContact CG2-CZ 4.34Å; T448-F524 WeakPolarHBondContact OG1-CD1 3.44Å |
| 449 | C | 94.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 132.1 | 179 | -71.7 | 0 | 0 | 0 | 0 | 111.8 | C420 P437 Y451 V522 F523 | C420-C449 HydrophobicContact CB-CB 3.88Å; C420-C449 WeakPolarHBondContact CB-SG 3.22Å; C420-C449 CarbonylContact O-C 3.55Å; C420-C449 VanDerWaalsContact O-CA 3.25Å; C420-C449 WeakPolarHBondContact O-CA 3.47Å; C420-C449 WeakPolarHBondContact SG-CB 3.49Å; C420-C449 CovalentContact SG-SG 2.02Å; C420-C449 PolarHBondContact SG-SG 2.7Å; P437-C449 HydrophobicContact CG-CB 4.3Å; P437-C449 WeakPolarHBondContact CG-SG 3.31Å; C449-Y451 HydrophobicContact CB-CE2 3.92Å; C449-V522 CarbonylContact O-C 3.58Å; C449-V522 WeakPolarHBondContact O-CA 3.16Å; C449-F523 HydrophobicContact CB-CB 4.37Å; C449-F523 PolarHBondContact N-O 2.82Å; C449-F523 PolarHBondContact O-N 3.19Å |
| 450 | V | 95.3 | Very high | 92.6 | Very high | 18 Ų | 18 | 48.6 Ų | 48.6 | 11% | 0.109 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129 | -173.9 | -177.1 | 0 | 0 | 0 | 0 | 110.3 | C420 T421 F422 R520 A521 V522 | C420-V450 PolarHBondContact O-N 2.94Å; T421-V450 CarbonylContact C-O 3.58Å; T421-V450 VanDerWaalsContact CA-O 3.26Å; T421-V450 WeakPolarHBondContact CA-O 3.41Å; T421-V450 HydrophobicContact CG2-CB 4.11Å; T421-V450 HydrophobicContact CG2-CG1 4.32Å; F422-V450 PolarHBondContact N-O 2.82Å; V450-R520 HydrophobicContact CG1-CG 4.11Å; V450-A521 CarbonylContact C-O 3.32Å; V450-A521 WeakPolarHBondContact CA-O 3.28Å; V450-V522 HydrophobicContact CG1-CG2 4.48Å; V450-V522 HydrophobicContact CG2-CG1 4.09Å; V450-V522 HydrophobicContact CG2-CG2 4.41Å |
| 451 | Y | 95.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 125 | 179.2 | -44.7 | -103.1 | 0 | 0 | 0 | 109.7 | I409 F422 F424 F434 N435 C449 R520 A521 F523 F534 | I409-Y451 HydrophobicContact CD1-CE1 3.62Å; I409-Y451 WeakPolarHBondContact CD1-OH 2.97Å; I409-Y451 HydrophobicContact CG1-CE1 4.17Å; I409-Y451 HydrophobicContact CG2-CD1 4.31Å; I409-Y451 HydrophobicContact CG2-CE1 3.85Å; F422-Y451 HydrophobicContact CB-CD1 4.37Å; F422-Y451 HydrophobicContact CD2-CE1 4.48Å; F422-Y451 CarbonylContact O-C 3.56Å; F422-Y451 WeakPolarHBondContact O-CA 3.49Å; F424-Y451 HydrophobicContact CE2-CD1 4.09Å; F434-Y451 HydrophobicContact CB-CD1 4.07Å; F434-Y451 HydrophobicContact CB-CE1 4.34Å; F434-Y451 AromaticContact CD2-CD1 3.78Å; F434-Y451 HydrophobicContact CD2-CD1 3.78Å; F434-Y451 HydrophobicContact CD2-CD2 4.31Å; F434-Y451 HydrophobicContact CD2-CE1 4.05Å; F434-Y451 AromaticContact CD2-CG 3.92Å; F434-Y451 HydrophobicContact CD2-CG 3.92Å; F434-Y451 HydrophobicContact CE2-CG 4.46Å; F434-Y451 HydrophobicContact CG-CD1 4.3Å; N435-Y451 WeakPolarHBondContact O-CE1 2.96Å; N435-Y451 PolarHBondContact O-OH 3.04Å; C449-Y451 HydrophobicContact CB-CE2 3.92Å; Y451-R520 CarbonylContact O-C 3.55Å; Y451-R520 WeakPolarHBondContact O-CA 3.49Å; Y451-A521 HydrophobicContact CD2-CB 4.11Å; Y451-A521 PolarHBondContact N-O 2.98Å; Y451-A521 PolarHBondContact O-N 2.87Å; Y451-F523 HydrophobicContact CE2-CB 4.26Å; Y451-F534 HydrophobicContact CE2-CZ 4.22Å |
| 452 | W | 95.1 | Very high | 93.5 | Very high | 56 Ų | 56 | 38.8 Ų | 38.8 | 21% | 0.212 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 102.2 | 179.4 | -72.8 | 98.2 | 0 | 0 | 0 | 110.8 | F422 H423 F424 N454 V489 R520 | F422-W452 PolarHBondContact O-N 2.58Å; H423-W452 AromaticContact CE1-CD1 3.36Å; H423-W452 AromaticContact CE1-CG 3.5Å; H423-W452 WeakPolarHBondContact ND1-CB 3.42Å; H423-W452 AromaticContact ND1-CD1 3.93Å; H423-W452 AromaticContact ND1-CG 3.74Å; H423-W452 AromaticContact NE2-CD1 3.66Å; F424-W452 PolarHBondContact N-O 3.39Å; W452-N454 PolarHBondContact O-N 2.9Å; W452-V489 HydrophobicContact CZ3-CG1 4.48Å; W452-V489 HydrophobicContact CZ3-CG2 4.2Å; W452-R520 HydrophobicContact CD2-CB 4.44Å; W452-R520 HydrophobicContact CD2-CG 4.2Å; W452-R520 HydrophobicContact CE3-CB 4.03Å; W452-R520 HydrophobicContact CE3-CG 4.24Å; W452-R520 HydrophobicContact CH2-CB 4.31Å; W452-R520 HydrophobicContact CH2-CG 4.11Å; W452-R520 HydrophobicContact CZ2-CG 4.06Å; W452-R520 HydrophobicContact CZ3-CB 3.96Å; W452-R520 HydrophobicContact CZ3-CG 4.19Å |
| 453 | L | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 95.1 | 175 | -53.9 | 179.8 | 0 | 0 | 0 | 109.2 | F424 F434 V461 I463 R518 V519 Y538 F540 | F424-L453 HydrophobicContact CB-CD2 3.75Å; F424-L453 HydrophobicContact CD2-CD2 3.66Å; F424-L453 HydrophobicContact CE2-CD2 4.49Å; F424-L453 HydrophobicContact CG-CD2 3.82Å; F434-L453 HydrophobicContact CE1-CD1 4.17Å; L453-V461 HydrophobicContact CB-CG1 3.91Å; L453-V461 HydrophobicContact CB-CG2 4.37Å; L453-V461 HydrophobicContact CD1-CG1 3.65Å; L453-V461 HydrophobicContact CG-CG1 4.42Å; L453-I463 HydrophobicContact CD1-CD1 3.57Å; L453-I463 HydrophobicContact CD1-CG1 4.04Å; L453-R518 WeakPolarHBondContact O-CA 3.48Å; L453-V519 HydrophobicContact CB-CB 4.29Å; L453-V519 WeakPolarHBondContact CB-O 3.43Å; L453-V519 HydrophobicContact CD1-CB 4.33Å; L453-V519 HydrophobicContact CD1-CG1 4.46Å; L453-V519 PolarHBondContact N-O 2.83Å; L453-V519 PolarHBondContact O-N 2.87Å; L453-Y538 HydrophobicContact CD1-CG 4.44Å; L453-Y538 HydrophobicContact CD2-CD1 3.87Å; L453-Y538 HydrophobicContact CD2-CD2 4.39Å; L453-Y538 HydrophobicContact CD2-CE1 4.28Å; L453-Y538 HydrophobicContact CD2-CG 3.93Å; L453-F540 HydrophobicContact CB-CE1 4.18Å; L453-F540 HydrophobicContact CB-CZ 4.24Å |
| 454 | N | 95.7 | Very high | 94 | Very high | 30 Ų | 30 | 37 Ų | 37 | 16% | 0.16 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 92.4 | -170.4 | -74.3 | -27.2 | 0 | 0 | 0 | 112.9 | H423 F424 N425 S426 W452 R518 F540 | H423-N454 PolarHBondContact ND1-ND2 3.49Å; F424-N454 PolarHBondContact O-N 3.4Å; N425-N454 WeakPolarHBondContact OD1-CB 3.41Å; N425-N454 PolarHBondContact OD1-ND2 3.3Å; S426-N454 PolarHBondContact N-O 3.47Å; W452-N454 PolarHBondContact O-N 2.9Å; N454-R518 WeakPolarHBondContact OD1-CD 3.01Å; N454-F540 VanDerWaalsContact C-CE1 3.48Å |
| 455 | G | 96.2 | Very high | 94.3 | Very high | 7 Ų | 7 | 36.4 Ų | 36.4 | 7% | 0.072 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -86.9 | 155.1 | 172 | 0 | 0 | 0 | 0 | 0 | 113.3 | N517 F540 | G455-N517 CarbonylContact C-O 3.52Å; G455-N517 WeakPolarHBondContact CA-O 3.49Å; G455-N517 PolarHBondContact N-O 2.79Å; G455-N517 PolarHBondContact O-ND2 2.81Å; G455-F540 VanDerWaalsContact N-CE1 3.29Å |
| 456 | R | 95.6 | Very high | 94.5 | Very high | 143 Ų | 143 | 35.9 Ų | 35.9 | 54% | 0.54 | 20% | 0.195 | S | C | . | . | P | Polyproline II helix | trans | -68.1 | 156.5 | 172 | -64.9 | 173.8 | -164.4 | -163.1 | 5.1 | 110.5 | S426 G458 Q459 N517 | S426-R456 WeakPolarHBondContact OG-CG 3.27Å; S426-R456 PolarHBondContact OG-N 3.3Å; R456-G458 PolarHBondContact O-N 2.83Å; R456-Q459 HydrophobicContact CB-CG 4.29Å; R456-Q459 VanDerWaalsContact O-CB 3.31Å; R456-Q459 WeakPolarHBondContact O-CB 3.23Å; R456-Q459 PolarHBondContact O-N 3.01Å; R456-N517 WeakPolarHBondContact O-CB 3.41Å |
| 457 | V | 93.3 | Very high | 94.6 | Very high | 117 Ų | 117 | 32.5 Ų | 32.5 | 71% | 0.709 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 130.8 | 172 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | Q459 P491 | V457-Q459 VanDerWaalsContact C-N 3.34Å; V457-P491 HydrophobicContact CG2-CG 4.45Å |
| 458 | G | 92.8 | Very high | 94.8 | Very high | 51 Ų | 51 | 32.1 Ų | 32.1 | 53% | 0.526 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | -7.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R456 Q543 | R456-G458 PolarHBondContact O-N 2.83Å; G458-Q543 PolarHBondContact O-N 2.81Å |
| 459 | Q | 96.4 | Very high | 94.8 | Very high | 29 Ų | 29 | 32.6 Ų | 32.6 | 14% | 0.136 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 162.8 | 165.4 | -61.2 | -176.5 | -59.7 | 0 | 0 | 110.9 | S426 N430 R456 V457 N517 V541 | S426-Q459 PolarHBondContact OG-OE1 2.84Å; N430-Q459 PolarHBondContact OD1-NE2 2.83Å; R456-Q459 HydrophobicContact CB-CG 4.29Å; R456-Q459 VanDerWaalsContact O-CB 3.31Å; R456-Q459 WeakPolarHBondContact O-CB 3.23Å; R456-Q459 PolarHBondContact O-N 3.01Å; V457-Q459 VanDerWaalsContact C-N 3.34Å; Q459-N517 VanDerWaalsContact O-CA 3.3Å; Q459-N517 WeakPolarHBondContact O-CA 3.31Å; Q459-V541 CarbonylContact C-O 3.56Å; Q459-V541 VanDerWaalsContact CA-O 3.25Å; Q459-V541 WeakPolarHBondContact CA-O 3.36Å |
| 460 | R | 95.8 | Very high | 94.7 | Very high | 20 Ų | 20 | 33 Ų | 33 | 8% | 0.075 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 156.8 | 173.3 | -74.7 | 173.6 | 67.3 | -170.9 | 4 | 108.9 | L511 S512 F540 V541 I546 | R460-L511 HydrophobicContact CB-CD1 4.16Å; R460-L511 VanDerWaalsContact NH2-CD2 3.3Å; R460-S512 WeakPolarHBondContact CA-OG 3.3Å; R460-S512 WeakPolarHBondContact CB-OG 3.02Å; R460-S512 PolarHBondContact NE-O 2.87Å; R460-S512 PolarHBondContact NH2-O 3.21Å; R460-F540 WeakPolarHBondContact O-CA 3.41Å; R460-V541 HydrophobicContact CB-CG2 4.24Å; R460-V541 PolarHBondContact N-O 2.94Å; R460-V541 WeakPolarHBondContact O-CG2 3.39Å; R460-V541 PolarHBondContact O-N 2.03Å; R460-I546 HydrophobicContact CB-CD1 4.04Å; R460-I546 HydrophobicContact CG-CD1 4.35Å |
| 461 | V | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 117.4 | -176.2 | -167.7 | 0 | 0 | 0 | 0 | 109.2 | L453 I463 L511 S512 V519 F540 | L453-V461 HydrophobicContact CB-CG1 3.91Å; L453-V461 HydrophobicContact CB-CG2 4.37Å; L453-V461 HydrophobicContact CD1-CG1 3.65Å; L453-V461 HydrophobicContact CG-CG1 4.42Å; V461-I463 HydrophobicContact CG1-CD1 4.14Å; V461-I463 HydrophobicContact CG1-CG1 3.87Å; V461-L511 WeakPolarHBondContact O-CA 3.35Å; V461-S512 PolarHBondContact N-OG 3.1Å; V461-S512 PolarHBondContact O-N 2.87Å; V461-V519 HydrophobicContact CB-CB 4.24Å; V461-V519 HydrophobicContact CB-CG2 3.67Å; V461-V519 HydrophobicContact CG1-CB 4.36Å; V461-V519 HydrophobicContact CG1-CG2 4.24Å; V461-V519 HydrophobicContact CG2-CB 4.23Å; V461-V519 HydrophobicContact CG2-CG2 3.86Å; V461-F540 HydrophobicContact CG1-CE1 4.39Å; V461-F540 HydrophobicContact CG2-CD1 4Å; V461-F540 HydrophobicContact CG2-CE1 3.88Å |
| 462 | H | 96.1 | Very high | 94 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 3% | 0.032 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 126 | 173.9 | -175.2 | -119.8 | 0 | 0 | 0 | 109.3 | I510 L511 Y538 R539 V541 | H462-I510 CarbonylContact C-O 3.59Å; H462-I510 WeakPolarHBondContact CA-O 3.48Å; H462-I510 PolarHBondContact CD2-O 2.74Å; H462-L511 HydrophobicContact CB-CD1 3.9Å; H462-Y538 CarbonylContact O-C 3.6Å; H462-Y538 VanDerWaalsContact O-CA 3.27Å; H462-Y538 WeakPolarHBondContact O-CA 3.33Å; H462-R539 PolarHBondContact N-O 2.74Å; H462-R539 PolarHBondContact O-N 2.89Å; H462-V541 HydrophobicContact CB-CG1 4.35Å; H462-V541 HydrophobicContact CB-CG2 4.23Å |
| 463 | I | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 135.4 | -174.1 | -53.4 | 172.3 | 0 | 0 | 0 | 109.6 | F434 L453 V461 F465 I510 V519 A536 H537 | F434-I463 HydrophobicContact CE1-CG2 4.12Å; F434-I463 HydrophobicContact CZ-CG2 4.17Å; L453-I463 HydrophobicContact CD1-CD1 3.57Å; L453-I463 HydrophobicContact CD1-CG1 4.04Å; V461-I463 HydrophobicContact CG1-CD1 4.14Å; V461-I463 HydrophobicContact CG1-CG1 3.87Å; I463-F465 HydrophobicContact CG2-CE2 3.9Å; I463-F465 HydrophobicContact CG2-CZ 4.24Å; I463-I510 HydrophobicContact CB-CB 4.34Å; I463-I510 PolarHBondContact N-O 2.79Å; I463-I510 PolarHBondContact O-N 2.91Å; I463-V519 HydrophobicContact CD1-CB 4.37Å; I463-V519 HydrophobicContact CD1-CG1 3.86Å; I463-A536 HydrophobicContact CG2-CB 4.28Å; I463-H537 VanDerWaalsContact CA-O 3.27Å; I463-H537 WeakPolarHBondContact CA-O 3.33Å |
| 464 | Y | 95.1 | Very high | 92.3 | Very high | 27 Ų | 27 | 42.2 Ų | 42.2 | 11% | 0.106 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 151 | 172.2 | 59.1 | -88.2 | 0 | 0 | 0 | 111.1 | A536 H537 H660 P661 | Y464-A536 CarbonylContact O-C 3.58Å; Y464-A536 WeakPolarHBondContact O-CA 3.01Å; Y464-H537 HydrophobicContact CD1-CB 4.16Å; Y464-H537 HydrophobicContact CD2-CB 4Å; Y464-H537 HydrophobicContact CE1-CB 3.66Å; Y464-H537 HydrophobicContact CE2-CB 3.49Å; Y464-H537 VanDerWaalsContact CE2-CB 3.49Å; Y464-H537 AromaticContact CE2-CD2 3.67Å; Y464-H537 AromaticContact CE2-CG 3.59Å; Y464-H537 HydrophobicContact CG-CB 4.33Å; Y464-H537 AromaticContact CZ-CG 3.7Å; Y464-H537 PolarHBondContact N-O 2.82Å; Y464-H537 PolarHBondContact O-N 3.11Å; Y464-H660 AromaticContact CD2-CE1 3.34Å; Y464-H660 WeakPolarHBondContact CD2-CE1 3.45Å; Y464-H660 AromaticContact CD2-NE2 3.36Å; Y464-H660 WeakPolarHBondContact CD2-NE2 3.33Å; Y464-H660 AromaticContact CE2-CE1 3.71Å; Y464-P661 HydrophobicContact CD1-CG 3.76Å; Y464-P661 HydrophobicContact CE1-CG 3.72Å; Y464-P661 HydrophobicContact CG-CG 4.27Å |
| 465 | F | 94.7 | Very high | 91.2 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 1% | 0.013 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 127.3 | -170.5 | -69.1 | -99 | 0 | 0 | 0 | 112 | I463 F468 L484 P507 I510 F534 A536 | I463-F465 HydrophobicContact CG2-CE2 3.9Å; I463-F465 HydrophobicContact CG2-CZ 4.24Å; F465-F468 HydrophobicContact CB-CB 4.42Å; F465-F468 HydrophobicContact CD1-CB 4.21Å; F465-F468 AromaticContact CD1-CD2 3.8Å; F465-F468 HydrophobicContact CD1-CD2 3.8Å; F465-F468 HydrophobicContact CD1-CG 4.46Å; F465-F468 AromaticContact CE1-CD2 3.78Å; F465-F468 HydrophobicContact CE1-CD2 3.78Å; F465-F468 HydrophobicContact CE1-CE2 4.33Å; F465-L484 HydrophobicContact CE1-CD2 3.67Å; F465-L484 HydrophobicContact CZ-CD2 3.49Å; F465-L484 VanDerWaalsContact CZ-CD2 3.49Å; F465-P507 HydrophobicContact CD1-CG 4.24Å; F465-P507 HydrophobicContact CD2-CB 3.77Å; F465-P507 HydrophobicContact CD2-CG 3.48Å; F465-P507 VanDerWaalsContact CD2-CG 3.48Å; F465-P507 HydrophobicContact CE1-CG 4.28Å; F465-P507 HydrophobicContact CE2-CB 3.62Å; F465-P507 HydrophobicContact CE2-CG 3.55Å; F465-P507 HydrophobicContact CG-CG 3.86Å; F465-P507 HydrophobicContact CZ-CB 4.34Å; F465-P507 HydrophobicContact CZ-CG 3.97Å; F465-I510 HydrophobicContact CE2-CD1 4.08Å; F465-F534 HydrophobicContact CD1-CB 4.15Å; F465-F534 HydrophobicContact CD1-CD2 4.35Å; F465-F534 HydrophobicContact CE1-CB 4.27Å; F465-F534 AromaticContact CE1-CD2 3.86Å; F465-F534 HydrophobicContact CE1-CD2 3.86Å; F465-F534 HydrophobicContact CE1-CG 4.18Å; F465-A536 HydrophobicContact CD1-CB 3.6Å; F465-A536 HydrophobicContact CE1-CB 3.53Å; F465-A536 HydrophobicContact CG-CB 4.16Å; F465-A536 HydrophobicContact CZ-CB 4.01Å |
| 466 | D | 91.7 | Very high | 89.9 | Confident | 20 Ų | 20 | 54.2 Ų | 54.2 | 11% | 0.107 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | -40.5 | 168.4 | -87.4 | -27.3 | 0 | 0 | 0 | 111.6 | R535 H537 R617 K663 | D466-R535 PolarHBondContact N-O 2.64Å; D466-R535 IonicContact OD2-CZ 2.63Å; D466-R535 IonicContact OD2-NH1 2.8Å; D466-R535 PolarHBondContact OD2-NH1 3.06Å; D466-H537 IonicContact OD1-NE2 2.78Å; D466-H537 IonicContact OD2-CD2 3.15Å; D466-H537 PolarHBondContact OD2-CD2 2.93Å; D466-H537 IonicContact OD2-CE1 2.8Å; D466-H537 IonicContact OD2-NE2 3.33Å; D466-H537 PolarHBondContact OD2-NE2 2.85Å; D466-R617 PolarHBondContact O-NH2 2.87Å; D466-K663 IonicContact OD1-NZ 2.72Å; D466-K663 PolarHBondContact OD1-NZ 2.94Å |
| 467 | Q | 90.9 | Very high | 88.7 | Confident | 58 Ų | 58 | 52.2 Ų | 52.2 | 27% | 0.271 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 142.4 | 178.8 | -177.4 | 168.2 | -12.6 | 0 | 0 | 107.6 | Y439 I469 T532 F534 R535 | Y439-Q467 HydrophobicContact CE2-CB 4.45Å; Y439-Q467 PolarHBondContact OH-OE1 3.14Å; Q467-I469 HydrophobicContact CG-CD1 4.04Å; Q467-I469 HydrophobicContact CG-CG1 3.96Å; Q467-T532 PolarHBondContact NE2-OG1 2.83Å; Q467-F534 CarbonylContact O-C 3.58Å; Q467-F534 WeakPolarHBondContact O-CA 3.35Å; Q467-F534 WeakPolarHBondContact O-CB 3.38Å; Q467-R535 PolarHBondContact N-O 2.92Å; Q467-R535 PolarHBondContact O-N 3.4Å |
| 468 | F | 93.1 | Very high | 87.7 | Confident | 12 Ų | 12 | 50.5 Ų | 50.5 | 5% | 0.053 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 100.1 | 174.1 | -177.5 | -83.8 | 0 | 0 | 0 | 107 | F465 L470 L484 Y506 P507 F534 | F465-F468 HydrophobicContact CB-CB 4.42Å; F465-F468 HydrophobicContact CD1-CB 4.21Å; F465-F468 AromaticContact CD1-CD2 3.8Å; F465-F468 HydrophobicContact CD1-CD2 3.8Å; F465-F468 HydrophobicContact CD1-CG 4.46Å; F465-F468 AromaticContact CE1-CD2 3.78Å; F465-F468 HydrophobicContact CE1-CD2 3.78Å; F465-F468 HydrophobicContact CE1-CE2 4.33Å; F468-L470 HydrophobicContact CE1-CD1 3.93Å; F468-L470 HydrophobicContact CE1-CG 3.98Å; F468-L470 HydrophobicContact CE2-CD1 4.02Å; F468-L470 HydrophobicContact CE2-CG 4.34Å; F468-L470 HydrophobicContact CZ-CD1 3.42Å; F468-L470 VanDerWaalsContact CZ-CD1 3.42Å; F468-L470 HydrophobicContact CZ-CG 3.87Å; F468-L484 HydrophobicContact CE2-CB 3.9Å; F468-L484 HydrophobicContact CE2-CD2 3.84Å; F468-L484 HydrophobicContact CZ-CB 4.24Å; F468-Y506 HydrophobicContact CB-CD2 4.03Å; F468-Y506 HydrophobicContact CB-CE2 3.46Å; F468-Y506 VanDerWaalsContact CB-CE2 3.46Å; F468-Y506 AromaticContact CD1-CD2 3.96Å; F468-Y506 HydrophobicContact CD1-CD2 3.96Å; F468-Y506 HydrophobicContact CD1-CE2 4.28Å; F468-Y506 HydrophobicContact CG-CD2 4.4Å; F468-Y506 HydrophobicContact CG-CE2 4.29Å; F468-Y506 WeakPolarHBondContact O-CE2 3.39Å; F468-P507 HydrophobicContact CB-CG 4.4Å; F468-P507 VanDerWaalsContact CD1-CD 3.48Å; F468-P507 HydrophobicContact CD1-CG 4.2Å; F468-P507 HydrophobicContact CD2-CG 3.69Å; F468-P507 HydrophobicContact CE1-CG 4.4Å; F468-P507 HydrophobicContact CE2-CG 3.92Å; F468-P507 HydrophobicContact CG-CG 3.85Å; F468-P507 HydrophobicContact CZ-CG 4.27Å; F468-F534 HydrophobicContact CB-CB 4.18Å; F468-F534 HydrophobicContact CD2-CB 3.58Å; F468-F534 HydrophobicContact CD2-CD1 4.39Å; F468-F534 HydrophobicContact CD2-CG 4.13Å; F468-F534 HydrophobicContact CE2-CB 4.37Å; F468-F534 HydrophobicContact CE2-CD1 4.38Å; F468-F534 HydrophobicContact CG-CB 4.23Å |
| 469 | I | 92.9 | Very high | 86.8 | Confident | 86 Ų | 86 | 54.3 Ų | 54.3 | 44% | 0.441 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 97.8 | -178.5 | -54.7 | -178.9 | 0 | 0 | 0 | 106.2 | Q467 A531 G533 | Q467-I469 HydrophobicContact CG-CD1 4.04Å; Q467-I469 HydrophobicContact CG-CG1 3.96Å; I469-A531 HydrophobicContact CG2-CB 4.31Å; I469-A531 WeakPolarHBondContact O-CB 3.29Å; I469-G533 PolarHBondContact N-O 2.9Å; I469-G533 VanDerWaalsContact O-CA 3.27Å; I469-G533 WeakPolarHBondContact O-CA 3.46Å; I469-G533 PolarHBondContact O-N 2.96Å |
| 470 | L | 92.8 | Very high | 86.3 | Confident | 8 Ų | 8 | 54.7 Ų | 54.7 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -101.2 | 156.8 | 173.8 | -59.2 | -172 | 0 | 0 | 0 | 109.5 | Y443 F468 D482 A503 F523 F534 | Y443-L470 HydrophobicContact CE1-CD2 3.82Å; F468-L470 HydrophobicContact CE1-CD1 3.93Å; F468-L470 HydrophobicContact CE1-CG 3.98Å; F468-L470 HydrophobicContact CE2-CD1 4.02Å; F468-L470 HydrophobicContact CE2-CG 4.34Å; F468-L470 HydrophobicContact CZ-CD1 3.42Å; F468-L470 VanDerWaalsContact CZ-CD1 3.42Å; F468-L470 HydrophobicContact CZ-CG 3.87Å; L470-D482 HydrophobicContact CB-CB 4.34Å; L470-A503 VanDerWaalsContact O-CB 3.27Å; L470-A503 WeakPolarHBondContact O-CB 3.29Å; L470-F523 HydrophobicContact CD1-CE2 3.99Å; L470-F523 HydrophobicContact CD2-CE2 3.55Å; L470-F523 HydrophobicContact CD2-CZ 3.98Å; L470-F523 HydrophobicContact CG-CE2 4.42Å; L470-F534 HydrophobicContact CD2-CD1 4.27Å |
| 471 | A | 90.2 | Very high | 85.9 | Confident | 7 Ų | 7 | 54 Ų | 54 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 137.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y443 D482 P529 A531 | Y443-A471 WeakPolarHBondContact OH-CB 3.41Å; Y443-A471 PolarHBondContact OH-N 3.47Å; A471-D482 WeakPolarHBondContact CB-OD2 3.41Å; A471-P529 HydrophobicContact CB-CG 4.15Å; A471-P529 WeakPolarHBondContact CB-O 3.45Å; A471-A531 HydrophobicContact CB-CB 4.31Å |
| 472 | P | 85.8 | Confident | 85.7 | Confident | 80 Ų | 80 | 54.1 Ų | 54.1 | 52% | 0.519 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 141.7 | 172.8 | 31.1 | -33.2 | 0 | 0 | 0 | 109.4 | A503 | P472-A503 HydrophobicContact CB-CB 4.17Š|
| 473 | S | 80.7 | Confident | 85.6 | Confident | 30 Ų | 30 | 56.5 Ų | 56.5 | 21% | 0.21 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 134.8 | 173.9 | 180 | 0 | 0 | 0 | 0 | 111.4 | S475 D478 | S473-S475 VanDerWaalsContact C-N 3.3Å; S473-S475 PolarHBondContact OG-N 2.78Å; S473-S475 VanDerWaalsContact OG-N 3.14Å; S473-S475 PolarHBondContact OG-O 2.98Å; S473-D478 WeakPolarHBondContact CB-O 3.42Å; S473-D478 PolarHBondContact OG-O 3.38Å |
| 474 | L | 75 | Confident | 85.6 | Confident | 152 Ų | 152 | 56.5 Ų | 56.5 | 80% | 0.796 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -76.6 | -20.9 | 172.4 | -63.8 | 171.8 | 0 | 0 | 0 | 112 | ||
| 475 | S | 72.6 | Confident | 85.6 | Confident | 58 Ų | 58 | 56.5 Ų | 56.5 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | trans | -91.4 | 126.7 | -177.1 | 177 | 0 | 0 | 0 | 0 | 111.4 | S473 A477 D478 | S473-S475 VanDerWaalsContact C-N 3.3Å; S473-S475 PolarHBondContact OG-N 2.78Å; S473-S475 VanDerWaalsContact OG-N 3.14Å; S473-S475 PolarHBondContact OG-O 2.98Å; S475-A477 PolarHBondContact O-N 3.28Å; S475-A477 PolarHBondContact OG-N 2.81Å; S475-A477 VanDerWaalsContact OG-N 3.14Å; S475-D478 CarbonylContact O-C 3.52Å; S475-D478 PolarHBondContact O-N 3.28Å; S475-D478 PolarHBondContact OG-N 3.35Å | ||
| 476 | R | 69.3 | Low | 85.6 | Confident | 231 Ų | 231 | 56.4 Ų | 56.4 | 87% | 0.872 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -62.8 | -23.1 | 169.3 | -82.5 | -174.7 | 175.6 | -177.4 | -0.5 | 113.2 | R479 | R476-R479 PolarHBondContact O-NE 2.86Š|
| 477 | A | 70.1 | Confident | 85.9 | Confident | 100 Ų | 100 | 57.6 Ų | 57.6 | 83% | 0.826 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -79.5 | -33.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S475 | S475-A477 PolarHBondContact O-N 3.28Å; S475-A477 PolarHBondContact OG-N 2.81Å; S475-A477 VanDerWaalsContact OG-N 3.14Å |
| 478 | D | 72.2 | Confident | 86.1 | Confident | 81 Ų | 81 | 55.2 Ų | 55.2 | 43% | 0.433 | 29% | 0.287 | S | S | . | . | trans | -123.6 | 72.8 | -178.9 | -164.7 | -1.5 | 0 | 0 | 0 | 111.2 | S473 S475 C480 A481 | S473-D478 WeakPolarHBondContact CB-O 3.42Å; S473-D478 PolarHBondContact OG-O 3.38Å; S475-D478 CarbonylContact O-C 3.52Å; S475-D478 PolarHBondContact O-N 3.28Å; S475-D478 PolarHBondContact OG-N 3.35Å; D478-C480 PolarHBondContact O-N 3.28Å; D478-C480 VanDerWaalsContact O-N 3.11Å; D478-A481 PolarHBondContact O-N 2.02Å | ||
| 479 | R | 74.1 | Confident | 86.2 | Confident | 132 Ų | 132 | 54.7 Ų | 54.7 | 50% | 0.498 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -12.2 | -170.8 | -58.4 | -172.5 | -163.8 | -178.7 | 4.2 | 114.8 | R476 | R476-R479 PolarHBondContact O-NE 2.86Š|
| 480 | C | 84.8 | Confident | 86.4 | Confident | 36 Ų | 36 | 52.9 Ų | 52.9 | 24% | 0.243 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.8 | 53.6 | 177 | -69.9 | 0 | 0 | 0 | 0 | 109.8 | D478 R483 C502 | D478-C480 PolarHBondContact O-N 3.28Å; D478-C480 VanDerWaalsContact O-N 3.11Å; C480-R483 HydrophobicContact CB-CB 4.29Å; C480-R483 WeakPolarHBondContact O-CD 3.35Å; C480-R483 PolarHBondContact O-NH1 3.41Å; C480-C502 HydrophobicContact CB-CB 3.4Å; C480-C502 WeakPolarHBondContact CB-SG 3.32Å; C480-C502 WeakPolarHBondContact SG-CB 3.25Å; C480-C502 CovalentContact SG-SG 2.05Å; C480-C502 PolarHBondContact SG-SG 3.07Å |
| 481 | A | 88.7 | Confident | 86.5 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 6% | 0.058 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -56.6 | -53.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | D478 R483 D526 | D478-A481 PolarHBondContact O-N 2.02Å; A481-R483 PolarHBondContact O-NH1 2.94Å; A481-D526 HydrophobicContact CB-CB 3.85Å; A481-D526 WeakPolarHBondContact CB-OD2 3.39Å |
| 482 | D | 92.9 | Very high | 86.7 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.011 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -83 | 118.3 | 166.5 | -73.3 | 7.4 | 0 | 0 | 0 | 110.8 | Y443 L470 A471 C502 F524 S525 D526 | Y443-D482 WeakPolarHBondContact CE2-OD2 3.18Å; Y443-D482 PolarHBondContact OH-OD2 3.2Å; L470-D482 HydrophobicContact CB-CB 4.34Å; A471-D482 WeakPolarHBondContact CB-OD2 3.41Å; D482-C502 WeakPolarHBondContact O-CB 3.06Å; D482-F524 WeakPolarHBondContact CA-O 3.43Å; D482-S525 VanDerWaalsContact OD1-CA 3.29Å; D482-S525 WeakPolarHBondContact OD1-CA 3.39Å; D482-D526 PolarHBondContact OD1-N 2.97Å |
| 483 | R | 93.7 | Very high | 87 | Confident | 57 Ų | 57 | 62.5 Ų | 62.5 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 153.1 | -175.2 | 62.4 | -179.8 | -179.1 | -74.4 | -7.6 | 114 | C480 A481 E485 Y501 C502 F523 F524 | C480-R483 HydrophobicContact CB-CB 4.29Å; C480-R483 WeakPolarHBondContact O-CD 3.35Å; C480-R483 PolarHBondContact O-NH1 3.41Å; A481-R483 PolarHBondContact O-NH1 2.94Å; R483-E485 HydrophobicContact CG-CG 4.43Å; R483-E485 IonicContact CZ-OE1 3.82Å; R483-E485 IonicContact NE-OE1 2.7Å; R483-E485 PolarHBondContact NE-OE1 3.1Å; R483-E485 IonicContact NH2-OE1 3.71Å; R483-Y501 CarbonylContact C-O 3.59Å; R483-Y501 WeakPolarHBondContact CA-O 3.47Å; R483-Y501 WeakPolarHBondContact CB-O 3.36Å; R483-C502 HydrophobicContact CB-CB 4.24Å; R483-F523 WeakPolarHBondContact O-CA 3.46Å; R483-F523 WeakPolarHBondContact O-CD2 3.2Å; R483-F524 HydrophobicContact CG-CB 4.25Å; R483-F524 HydrophobicContact CG-CD2 4.1Å; R483-F524 PolarHBondContact N-O 3.28Å; R483-F524 PolarHBondContact O-N 3.11Å |
| 484 | L | 95.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 113.6 | 169.4 | -178.3 | 66.3 | 0 | 0 | 0 | 109.3 | F465 F468 L486 Y501 A521 F523 F534 | F465-L484 HydrophobicContact CE1-CD2 3.67Å; F465-L484 HydrophobicContact CZ-CD2 3.49Å; F465-L484 VanDerWaalsContact CZ-CD2 3.49Å; F468-L484 HydrophobicContact CE2-CB 3.9Å; F468-L484 HydrophobicContact CE2-CD2 3.84Å; F468-L484 HydrophobicContact CZ-CB 4.24Å; L484-L486 HydrophobicContact CD1-CD2 4.39Å; L484-L486 HydrophobicContact CD2-CD2 4.26Å; L484-L486 HydrophobicContact CG-CD2 4.09Å; L484-Y501 PolarHBondContact N-O 3.38Å; L484-Y501 PolarHBondContact O-N 2.71Å; L484-A521 HydrophobicContact CD1-CB 4.26Å; L484-F523 HydrophobicContact CD1-CB 4.06Å; L484-F534 HydrophobicContact CD1-CE1 4.06Å; L484-F534 HydrophobicContact CD1-CZ 3.88Å; L484-F534 HydrophobicContact CD2-CE1 4.34Å; L484-F534 HydrophobicContact CD2-CE2 4.43Å; L484-F534 HydrophobicContact CD2-CZ 4.3Å |
| 485 | E | 95.2 | Very high | 88.5 | Confident | 27 Ų | 27 | 64.9 Ų | 64.9 | 13% | 0.126 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 129.6 | 174.8 | -63.6 | -179.7 | 178.5 | 0 | 0 | 110.1 | R483 Y487 A521 V522 F524 | R483-E485 HydrophobicContact CG-CG 4.43Å; R483-E485 IonicContact CZ-OE1 3.82Å; R483-E485 IonicContact NE-OE1 2.7Å; R483-E485 PolarHBondContact NE-OE1 3.1Å; R483-E485 IonicContact NH2-OE1 3.71Å; E485-Y487 HydrophobicContact CB-CD2 4.45Å; E485-Y487 HydrophobicContact CB-CE2 3.61Å; E485-Y487 PolarHBondContact OE2-OH 3.49Å; E485-A521 CarbonylContact O-C 3.46Å; E485-A521 WeakPolarHBondContact O-CA 3.42Å; E485-V522 PolarHBondContact N-O 3.1Å; E485-V522 PolarHBondContact O-N 3.12Å; E485-F524 HydrophobicContact CB-CE2 4.5Å; E485-F524 HydrophobicContact CG-CD2 4.41Å; E485-F524 HydrophobicContact CG-CE2 4.13Å; E485-F524 WeakPolarHBondContact OE2-CE2 3.32Å |
| 486 | L | 96.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 136.2 | 174.9 | -57.4 | -174.9 | 0 | 0 | 0 | 109.3 | L484 L498 G499 Y501 I510 A521 | L484-L486 HydrophobicContact CD1-CD2 4.39Å; L484-L486 HydrophobicContact CD2-CD2 4.26Å; L484-L486 HydrophobicContact CG-CD2 4.09Å; L486-L498 HydrophobicContact CB-CB 3.9Å; L486-L498 HydrophobicContact CB-CD2 4.12Å; L486-L498 HydrophobicContact CB-CG 4.18Å; L486-L498 HydrophobicContact CD1-CD2 4.47Å; L486-L498 WeakPolarHBondContact O-CA 3.43Å; L486-L498 WeakPolarHBondContact O-CB 3.37Å; L486-L498 PolarHBondContact O-N 2.84Å; L486-G499 PolarHBondContact N-O 2.9Å; L486-G499 PolarHBondContact O-N 2.77Å; L486-Y501 HydrophobicContact CD1-CD2 4.42Å; L486-Y501 HydrophobicContact CD1-CE2 3.84Å; L486-Y501 HydrophobicContact CG-CD2 4.47Å; L486-Y501 HydrophobicContact CG-CE2 4.2Å; L486-I510 HydrophobicContact CD1-CD1 3.68Å; L486-I510 HydrophobicContact CD1-CG2 4.45Å; L486-A521 HydrophobicContact CD2-CB 3.34Å |
| 487 | Y | 96.1 | Very high | 90.5 | Very high | 46 Ų | 46 | 57.5 Ų | 57.5 | 18% | 0.18 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 131.7 | 178.2 | -62.1 | -90.9 | 0 | 0 | 0 | 110.3 | E485 T496 I497 V519 R520 V522 | E485-Y487 HydrophobicContact CB-CD2 4.45Å; E485-Y487 HydrophobicContact CB-CE2 3.61Å; E485-Y487 PolarHBondContact OE2-OH 3.49Å; Y487-T496 CarbonylContact C-O 3.22Å; Y487-T496 WeakPolarHBondContact CA-O 3.34Å; Y487-I497 HydrophobicContact CD1-CG1 4.24Å; Y487-I497 HydrophobicContact CE1-CG1 3.89Å; Y487-V519 VanDerWaalsContact O-CA 3.29Å; Y487-V519 WeakPolarHBondContact O-CA 3.15Å; Y487-R520 PolarHBondContact N-O 3.19Å; Y487-R520 PolarHBondContact O-N 2.85Å; Y487-V522 HydrophobicContact CD2-CG2 4.35Å; Y487-V522 HydrophobicContact CE2-CG2 4.16Å |
| 488 | N | 95.5 | Very high | 91.5 | Very high | 7 Ų | 7 | 54.1 Ų | 54.1 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 128.4 | 164.3 | -64.1 | -64.2 | 0 | 0 | 0 | 108.6 | Y490 E495 T496 S512 A513 A516 | N488-Y490 HydrophobicContact CB-CE2 4.29Å; N488-E495 VanDerWaalsContact O-CA 3.3Å; N488-E495 WeakPolarHBondContact O-CA 3.46Å; N488-T496 WeakPolarHBondContact CB-OG1 3.25Å; N488-T496 PolarHBondContact N-O 2.93Å; N488-T496 PolarHBondContact O-N 3.15Å; N488-S512 WeakPolarHBondContact OD1-CA 3.16Å; N488-A513 HydrophobicContact CB-CB 4.31Å; N488-A513 PolarHBondContact OD1-N 2.9Å; N488-A516 HydrophobicContact CB-CB 3.79Å |
| 489 | V | 96.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 119.8 | 176.2 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | W452 E495 R518 R520 | W452-V489 HydrophobicContact CZ3-CG1 4.48Å; W452-V489 HydrophobicContact CZ3-CG2 4.2Å; V489-E495 HydrophobicContact CG1-CG 4.48Å; V489-E495 HydrophobicContact CG2-CG 4.04Å; V489-R518 HydrophobicContact CB-CB 3.88Å; V489-R518 HydrophobicContact CG1-CB 4.41Å; V489-R518 PolarHBondContact N-O 3Å; V489-R518 PolarHBondContact O-N 2.76Å; V489-R520 HydrophobicContact CG2-CB 3.93Å |
| 490 | Y | 96 | Very high | 93.1 | Very high | 47 Ų | 47 | 47.1 Ų | 47.1 | 18% | 0.184 | 24% | 0.235 | C | C | . | . | trans | -86.1 | 164.2 | -177.6 | -67.5 | -87.5 | 0 | 0 | 0 | 111.4 | N488 N492 N493 R494 T496 E514 A516 R518 | N488-Y490 HydrophobicContact CB-CE2 4.29Å; Y490-N492 WeakPolarHBondContact CB-OD1 3.47Å; Y490-N492 PolarHBondContact O-N 3.25Å; Y490-N492 VanDerWaalsContact O-N 3.13Å; Y490-N493 PolarHBondContact O-N 3.11Å; Y490-R494 HydrophobicContact CD2-CB 4.2Å; Y490-R494 HydrophobicContact CD2-CG 4.46Å; Y490-R494 WeakPolarHBondContact CD2-O 3.28Å; Y490-R494 PolarHBondContact N-O 3.16Å; Y490-T496 HydrophobicContact CE2-CG2 3.98Å; Y490-E514 WeakPolarHBondContact CE1-O 3.34Å; Y490-A516 HydrophobicContact CD1-CB 4.13Å; Y490-A516 HydrophobicContact CE1-CB 3.97Å; Y490-R518 PolarHBondContact O-NH2 3.07Å | ||
| 491 | P | 94.5 | Very high | 93.4 | Very high | 69 Ų | 69 | 45.4 Ų | 45.4 | 45% | 0.448 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -28.1 | 177.6 | -26.4 | 33 | 0 | 0 | 0 | 113.9 | V457 N493 G515 N517 | V457-P491 HydrophobicContact CG2-CG 4.45Å; P491-N493 VanDerWaalsContact C-N 3.25Å; P491-N493 PolarHBondContact O-N 2.99Å; P491-G515 VanDerWaalsContact CD-O 3.27Å; P491-G515 WeakPolarHBondContact CD-O 3.42Å; P491-N517 WeakPolarHBondContact CD-OD1 3.41Å; P491-N517 VanDerWaalsContact CG-OD1 3.28Å; P491-N517 WeakPolarHBondContact CG-OD1 3.47Å |
| 492 | N | 93.9 | Very high | 93.5 | Very high | 116 Ų | 116 | 45.2 Ų | 45.2 | 62% | 0.62 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 13.6 | 176.5 | 67.4 | -7.1 | 0 | 0 | 0 | 114 | Y490 R494 | Y490-N492 WeakPolarHBondContact CB-OD1 3.47Å; Y490-N492 PolarHBondContact O-N 3.25Å; Y490-N492 VanDerWaalsContact O-N 3.13Å; N492-R494 PolarHBondContact O-N 2.89Å; N492-R494 VanDerWaalsContact O-N 3.13Å; N492-R494 WeakPolarHBondContact OD1-CB 3.29Å; N492-R494 PolarHBondContact OD1-N 3.31Å; N492-R494 VanDerWaalsContact OD1-N 3.09Å |
| 493 | N | 92.7 | Very high | 93.2 | Very high | 112 Ų | 112 | 47.1 Ų | 47.1 | 60% | 0.599 | 24% | 0.238 | S | C | * | . | trans | 60.7 | 13.4 | -175.8 | -58 | -39.9 | 0 | 0 | 0 | 115.3 | Y490 P491 R518 | Y490-N493 PolarHBondContact O-N 3.11Å; P491-N493 VanDerWaalsContact C-N 3.25Å; P491-N493 PolarHBondContact O-N 2.99Å; N493-R518 PolarHBondContact OD1-NH1 3.39Å; N493-R518 PolarHBondContact OD1-NH2 2.9Å | ||
| 494 | R | 94.9 | Very high | 92.6 | Very high | 154 Ų | 154 | 49.4 Ų | 49.4 | 58% | 0.581 | 25% | 0.251 | S | S | * | . | trans | -66.6 | 137.7 | 167.4 | -175.5 | -178.4 | 177.6 | -155.9 | 0.8 | 108.8 | Y490 N492 | Y490-R494 HydrophobicContact CD2-CB 4.2Å; Y490-R494 HydrophobicContact CD2-CG 4.46Å; Y490-R494 WeakPolarHBondContact CD2-O 3.28Å; Y490-R494 PolarHBondContact N-O 3.16Å; N492-R494 PolarHBondContact O-N 2.89Å; N492-R494 VanDerWaalsContact O-N 3.13Å; N492-R494 WeakPolarHBondContact OD1-CB 3.29Å; N492-R494 PolarHBondContact OD1-N 3.31Å; N492-R494 VanDerWaalsContact OD1-N 3.09Å | ||
| 495 | E | 93.2 | Very high | 92 | Very high | 79 Ų | 79 | 51.3 Ų | 51.3 | 37% | 0.369 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 141.9 | 174.1 | -55.5 | -161.4 | 162.8 | 0 | 0 | 111.2 | N488 V489 R520 | N488-E495 VanDerWaalsContact O-CA 3.3Å; N488-E495 WeakPolarHBondContact O-CA 3.46Å; V489-E495 HydrophobicContact CG1-CG 4.48Å; V489-E495 HydrophobicContact CG2-CG 4.04Å; E495-R520 IonicContact OE2-NH1 3.63Å |
| 496 | T | 92.1 | Very high | 91.7 | Very high | 38 Ų | 38 | 51.2 Ų | 51.2 | 23% | 0.233 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 147.2 | 168.3 | 63.1 | 0 | 0 | 0 | 0 | 110 | Y487 N488 Y490 L498 | Y487-T496 CarbonylContact C-O 3.22Å; Y487-T496 WeakPolarHBondContact CA-O 3.34Å; N488-T496 WeakPolarHBondContact CB-OG1 3.25Å; N488-T496 PolarHBondContact N-O 2.93Å; N488-T496 PolarHBondContact O-N 3.15Å; Y490-T496 HydrophobicContact CE2-CG2 3.98Å; T496-L498 PolarHBondContact O-N 2.95Å |
| 497 | I | 90.7 | Very high | 91.4 | Very high | 96 Ų | 96 | 51.2 Ų | 51.2 | 49% | 0.492 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 128 | 178.7 | -59.9 | 168.7 | 0 | 0 | 0 | 109 | Y487 | Y487-I497 HydrophobicContact CD1-CG1 4.24Å; Y487-I497 HydrophobicContact CE1-CG1 3.89Å |
| 498 | L | 90.9 | Very high | 91.2 | Very high | 28 Ų | 28 | 49.1 Ų | 49.1 | 15% | 0.147 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -37.6 | 172.8 | 178.5 | 56.1 | 0 | 0 | 0 | 111.1 | L486 T496 I510 V519 | L486-L498 HydrophobicContact CB-CB 3.9Å; L486-L498 HydrophobicContact CB-CD2 4.12Å; L486-L498 HydrophobicContact CB-CG 4.18Å; L486-L498 HydrophobicContact CD1-CD2 4.47Å; L486-L498 WeakPolarHBondContact O-CA 3.43Å; L486-L498 WeakPolarHBondContact O-CB 3.37Å; L486-L498 PolarHBondContact O-N 2.84Å; T496-L498 PolarHBondContact O-N 2.95Å; L498-I510 HydrophobicContact CD1-CG2 4.14Å; L498-I510 HydrophobicContact CD2-CG2 3.58Å; L498-I510 HydrophobicContact CG-CG2 3.96Å; L498-V519 HydrophobicContact CD2-CG1 4.28Å; L498-V519 HydrophobicContact CD2-CG2 4.02Å |
| 499 | G | 89.6 | Confident | 91.2 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 6% | 0.062 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.8 | 157.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L486 | L486-G499 PolarHBondContact N-O 2.9Å; L486-G499 PolarHBondContact O-N 2.77Å |
| 500 | N | 90.9 | Very high | 91.1 | Very high | 60 Ų | 60 | 48.9 Ų | 48.9 | 32% | 0.321 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 117.4 | 173.3 | -178.7 | -10.4 | 0 | 0 | 0 | 107.7 | N505 | N500-N505 PolarHBondContact O-ND2 2.78Å |
| 501 | Y | 91.7 | Very high | 91 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138.9 | -170.2 | -56 | -75.4 | 0 | 0 | 0 | 110.5 | R483 L484 L486 N505 P507 I510 E633 | R483-Y501 CarbonylContact C-O 3.59Å; R483-Y501 WeakPolarHBondContact CA-O 3.47Å; R483-Y501 WeakPolarHBondContact CB-O 3.36Å; L484-Y501 PolarHBondContact N-O 3.38Å; L484-Y501 PolarHBondContact O-N 2.71Å; L486-Y501 HydrophobicContact CD1-CD2 4.42Å; L486-Y501 HydrophobicContact CD1-CE2 3.84Å; L486-Y501 HydrophobicContact CG-CD2 4.47Å; L486-Y501 HydrophobicContact CG-CE2 4.2Å; Y501-N505 WeakPolarHBondContact CA-O 3.08Å; Y501-N505 WeakPolarHBondContact CB-O 3.48Å; Y501-P507 HydrophobicContact CD1-CB 3.65Å; Y501-P507 HydrophobicContact CD1-CG 4.38Å; Y501-P507 HydrophobicContact CD2-CB 3.91Å; Y501-P507 HydrophobicContact CE1-CB 3.73Å; Y501-P507 HydrophobicContact CE2-CB 3.98Å; Y501-P507 HydrophobicContact CG-CB 3.73Å; Y501-P507 HydrophobicContact CG-CG 4.2Å; Y501-I510 HydrophobicContact CE2-CD1 3.91Å; Y501-E633 PolarHBondContact OH-OE1 2.94Å |
| 502 | C | 90.2 | Very high | 91 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | -174.6 | 179.1 | 74.8 | 0 | 0 | 0 | 0 | 109.7 | C480 D482 R483 E504 N505 | C480-C502 HydrophobicContact CB-CB 3.4Å; C480-C502 WeakPolarHBondContact CB-SG 3.32Å; C480-C502 WeakPolarHBondContact SG-CB 3.25Å; C480-C502 CovalentContact SG-SG 2.05Å; C480-C502 PolarHBondContact SG-SG 3.07Å; D482-C502 WeakPolarHBondContact O-CB 3.06Å; R483-C502 HydrophobicContact CB-CB 4.24Å; C502-E504 PolarHBondContact O-N 3.06Å; C502-E504 VanDerWaalsContact O-N 3.1Å; C502-N505 PolarHBondContact N-O 3.49Å; C502-N505 CarbonylContact O-C 3.6Å; C502-N505 PolarHBondContact O-N 2.82Å; C502-N505 VanDerWaalsContact O-O 3.07Å |
| 503 | A | 87.2 | Confident | 90.9 | Very high | 42 Ų | 42 | 39.8 Ų | 39.8 | 35% | 0.347 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -36.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L470 P472 | L470-A503 VanDerWaalsContact O-CB 3.27Å; L470-A503 WeakPolarHBondContact O-CB 3.29Å; P472-A503 HydrophobicContact CB-CB 4.17Å |
| 504 | E | 81.3 | Confident | 90.8 | Very high | 105 Ų | 105 | 41.4 Ų | 41.4 | 49% | 0.491 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -15.3 | 179.4 | -61.6 | -172.9 | 166.3 | 0 | 0 | 114.1 | C502 | C502-E504 PolarHBondContact O-N 3.06Å; C502-E504 VanDerWaalsContact O-N 3.1Å |
| 505 | N | 83 | Confident | 90.6 | Very high | 39 Ų | 39 | 36.3 Ų | 36.3 | 21% | 0.209 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -131.7 | 94.1 | -173.6 | -176.3 | 34.9 | 0 | 0 | 0 | 111.2 | N500 Y501 C502 | N500-N505 PolarHBondContact O-ND2 2.78Å; Y501-N505 WeakPolarHBondContact CA-O 3.08Å; Y501-N505 WeakPolarHBondContact CB-O 3.48Å; C502-N505 PolarHBondContact N-O 3.49Å; C502-N505 CarbonylContact O-C 3.6Å; C502-N505 PolarHBondContact O-N 2.82Å; C502-N505 VanDerWaalsContact O-O 3.07Å |
| 506 | Y | 87.3 | Confident | 90.7 | Very high | 25 Ų | 25 | 32.5 Ų | 32.5 | 10% | 0.098 | 19% | 0.187 | C | C | . | . | trans | -81.2 | 136.6 | -174.2 | -170.4 | -78 | 0 | 0 | 0 | 112.9 | F468 G508 R617 | F468-Y506 HydrophobicContact CB-CD2 4.03Å; F468-Y506 HydrophobicContact CB-CE2 3.46Å; F468-Y506 VanDerWaalsContact CB-CE2 3.46Å; F468-Y506 AromaticContact CD1-CD2 3.96Å; F468-Y506 HydrophobicContact CD1-CD2 3.96Å; F468-Y506 HydrophobicContact CD1-CE2 4.28Å; F468-Y506 HydrophobicContact CG-CD2 4.4Å; F468-Y506 HydrophobicContact CG-CE2 4.29Å; F468-Y506 WeakPolarHBondContact O-CE2 3.39Å; Y506-G508 PolarHBondContact O-N 2.91Å; Y506-R617 HydrophobicContact CD1-CB 3.89Å; Y506-R617 HydrophobicContact CD1-CG 4.46Å; Y506-R617 HydrophobicContact CE1-CB 3.47Å; Y506-R617 VanDerWaalsContact CE1-CB 3.47Å; Y506-R617 HydrophobicContact CE1-CG 3.56Å; Y506-R617 WeakPolarHBondContact OH-CD 3.05Å | ||
| 507 | P | 90.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | trans | -75.6 | 113 | 176.8 | 28.7 | -31.7 | 0 | 0 | 0 | 112.8 | F465 F468 Y501 I510 | F465-P507 HydrophobicContact CD1-CG 4.24Å; F465-P507 HydrophobicContact CD2-CB 3.77Å; F465-P507 HydrophobicContact CD2-CG 3.48Å; F465-P507 VanDerWaalsContact CD2-CG 3.48Å; F465-P507 HydrophobicContact CE1-CG 4.28Å; F465-P507 HydrophobicContact CE2-CB 3.62Å; F465-P507 HydrophobicContact CE2-CG 3.55Å; F465-P507 HydrophobicContact CG-CG 3.86Å; F465-P507 HydrophobicContact CZ-CB 4.34Å; F465-P507 HydrophobicContact CZ-CG 3.97Å; F468-P507 HydrophobicContact CB-CG 4.4Å; F468-P507 VanDerWaalsContact CD1-CD 3.48Å; F468-P507 HydrophobicContact CD1-CG 4.2Å; F468-P507 HydrophobicContact CD2-CG 3.69Å; F468-P507 HydrophobicContact CE1-CG 4.4Å; F468-P507 HydrophobicContact CE2-CG 3.92Å; F468-P507 HydrophobicContact CG-CG 3.85Å; F468-P507 HydrophobicContact CZ-CG 4.27Å; Y501-P507 HydrophobicContact CD1-CB 3.65Å; Y501-P507 HydrophobicContact CD1-CG 4.38Å; Y501-P507 HydrophobicContact CD2-CB 3.91Å; Y501-P507 HydrophobicContact CE1-CB 3.73Å; Y501-P507 HydrophobicContact CE2-CB 3.98Å; Y501-P507 HydrophobicContact CG-CB 3.73Å; Y501-P507 HydrophobicContact CG-CG 4.2Å; P507-I510 HydrophobicContact CB-CD1 3.86Å | ||
| 508 | G | 91.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | trans | -69.7 | 174.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y506 I510 C616 R622 | Y506-G508 PolarHBondContact O-N 2.91Å; G508-I510 WeakPolarHBondContact O-CD1 3.04Å; G508-I510 VanDerWaalsContact O-CG1 3.25Å; G508-I510 WeakPolarHBondContact O-CG1 3.43Å; G508-I510 PolarHBondContact O-N 3.28Å; G508-C616 WeakPolarHBondContact CA-O 3.24Å; G508-R622 PolarHBondContact O-NH2 2.87Å | ||
| 509 | P | 94.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.013 | 16% | 0.156 | C | C | . | . | trans | -54.7 | 127.9 | 178.1 | -20.9 | 29.6 | 0 | 0 | 0 | 111.8 | R622 R658 H660 | P509-R622 PolarHBondContact O-NH1 3.05Å; P509-R658 HydrophobicContact CB-CB 4.16Å; P509-R658 WeakPolarHBondContact O-CB 3.44Å; P509-H660 HydrophobicContact CG-CB 3.96Å; P509-H660 VanDerWaalsContact CG-N 3.32Å | ||
| 510 | I | 94.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 142.6 | -170.4 | -72.9 | 140.1 | 0 | 0 | 0 | 110.2 | H462 I463 F465 L486 L498 Y501 P507 G508 | H462-I510 CarbonylContact C-O 3.59Å; H462-I510 WeakPolarHBondContact CA-O 3.48Å; H462-I510 PolarHBondContact CD2-O 2.74Å; I463-I510 HydrophobicContact CB-CB 4.34Å; I463-I510 PolarHBondContact N-O 2.79Å; I463-I510 PolarHBondContact O-N 2.91Å; F465-I510 HydrophobicContact CE2-CD1 4.08Å; L486-I510 HydrophobicContact CD1-CD1 3.68Å; L486-I510 HydrophobicContact CD1-CG2 4.45Å; L498-I510 HydrophobicContact CD1-CG2 4.14Å; L498-I510 HydrophobicContact CD2-CG2 3.58Å; L498-I510 HydrophobicContact CG-CG2 3.96Å; Y501-I510 HydrophobicContact CE2-CD1 3.91Å; P507-I510 HydrophobicContact CB-CD1 3.86Å; G508-I510 WeakPolarHBondContact O-CD1 3.04Å; G508-I510 VanDerWaalsContact O-CG1 3.25Å; G508-I510 WeakPolarHBondContact O-CG1 3.43Å; G508-I510 PolarHBondContact O-N 3.28Å |
| 511 | L | 95 | Very high | 92.2 | Very high | 15 Ų | 15 | 27.3 Ų | 27.3 | 8% | 0.079 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 129.1 | 168.2 | -175.2 | 65.9 | 0 | 0 | 0 | 108.4 | R460 V461 H462 V541 I546 I581 | R460-L511 HydrophobicContact CB-CD1 4.16Å; R460-L511 VanDerWaalsContact NH2-CD2 3.3Å; V461-L511 WeakPolarHBondContact O-CA 3.35Å; H462-L511 HydrophobicContact CB-CD1 3.9Å; L511-V541 HydrophobicContact CD1-CG2 3.81Å; L511-I546 HydrophobicContact CD1-CD1 4.25Å; L511-I546 HydrophobicContact CD2-CD1 4Å; L511-I546 HydrophobicContact CD2-CG1 4.28Å; L511-I581 HydrophobicContact CD2-CG2 3.85Å |
| 512 | S | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -53.3 | 152.4 | 177.2 | 72.7 | 0 | 0 | 0 | 0 | 111.6 | R460 V461 N488 A516 | R460-S512 WeakPolarHBondContact CA-OG 3.3Å; R460-S512 WeakPolarHBondContact CB-OG 3.02Å; R460-S512 PolarHBondContact NE-O 2.87Å; R460-S512 PolarHBondContact NH2-O 3.21Å; V461-S512 PolarHBondContact N-OG 3.1Å; V461-S512 PolarHBondContact O-N 2.87Å; N488-S512 WeakPolarHBondContact OD1-CA 3.16Å; S512-A516 PolarHBondContact OG-O 3.35Å |
| 513 | A | 91.7 | Very high | 92.7 | Very high | 27 Ų | 27 | 27.2 Ų | 27.2 | 22% | 0.223 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -56.6 | 158.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N488 G515 A516 | N488-A513 HydrophobicContact CB-CB 4.31Å; N488-A513 PolarHBondContact OD1-N 2.9Å; A513-G515 PolarHBondContact O-N 2.78Å; A513-A516 HydrophobicContact CB-CB 4.15Å; A513-A516 WeakPolarHBondContact O-CB 3.13Å; A513-A516 PolarHBondContact O-N 3.37Å |
| 514 | E | 89.5 | Confident | 93.1 | Very high | 146 Ų | 146 | 27.6 Ų | 27.6 | 68% | 0.682 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 131.1 | 173.7 | -174.9 | 172.9 | -162.5 | 0 | 0 | 110.5 | Y490 A516 | Y490-E514 WeakPolarHBondContact CE1-O 3.34Å; E514-A516 PolarHBondContact O-N 2.9Å |
| 515 | G | 91.5 | Very high | 93.6 | Very high | 46 Ų | 46 | 23 Ų | 23 | 47% | 0.474 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | -12.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | P491 A513 N517 | P491-G515 VanDerWaalsContact CD-O 3.27Å; P491-G515 WeakPolarHBondContact CD-O 3.42Å; A513-G515 PolarHBondContact O-N 2.78Å; G515-N517 PolarHBondContact O-N 2.77Å |
| 516 | A | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -82.2 | 104.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | N488 Y490 S512 A513 E514 | N488-A516 HydrophobicContact CB-CB 3.79Å; Y490-A516 HydrophobicContact CD1-CB 4.13Å; Y490-A516 HydrophobicContact CE1-CB 3.97Å; S512-A516 PolarHBondContact OG-O 3.35Å; A513-A516 HydrophobicContact CB-CB 4.15Å; A513-A516 WeakPolarHBondContact O-CB 3.13Å; A513-A516 PolarHBondContact O-N 3.37Å; E514-A516 PolarHBondContact O-N 2.9Å | ||
| 517 | N | 96.4 | Very high | 93.6 | Very high | 11 Ų | 11 | 27.9 Ų | 27.9 | 6% | 0.059 | 15% | 0.149 | C | C | . | . | trans | -86.3 | -8.1 | 179.9 | 64.4 | -57.3 | 0 | 0 | 0 | 113.6 | G455 R456 Q459 P491 G515 | G455-N517 CarbonylContact C-O 3.52Å; G455-N517 WeakPolarHBondContact CA-O 3.49Å; G455-N517 PolarHBondContact N-O 2.79Å; G455-N517 PolarHBondContact O-ND2 2.81Å; R456-N517 WeakPolarHBondContact O-CB 3.41Å; Q459-N517 VanDerWaalsContact O-CA 3.3Å; Q459-N517 WeakPolarHBondContact O-CA 3.31Å; P491-N517 WeakPolarHBondContact CD-OD1 3.41Å; P491-N517 VanDerWaalsContact CG-OD1 3.28Å; P491-N517 WeakPolarHBondContact CG-OD1 3.47Å; G515-N517 PolarHBondContact O-N 2.77Å | ||
| 518 | R | 97.5 | Very high | 93 | Very high | 44 Ų | 44 | 36.8 Ų | 36.8 | 17% | 0.166 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 151.2 | -178.3 | -59.7 | -179.1 | -74.9 | 178.9 | -3.9 | 111 | L453 N454 V489 Y490 N493 | L453-R518 WeakPolarHBondContact O-CA 3.48Å; N454-R518 WeakPolarHBondContact OD1-CD 3.01Å; V489-R518 HydrophobicContact CB-CB 3.88Å; V489-R518 HydrophobicContact CG1-CB 4.41Å; V489-R518 PolarHBondContact N-O 3Å; V489-R518 PolarHBondContact O-N 2.76Å; Y490-R518 PolarHBondContact O-NH2 3.07Å; N493-R518 PolarHBondContact OD1-NH1 3.39Å; N493-R518 PolarHBondContact OD1-NH2 2.9Å |
| 519 | V | 97.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 128.4 | 169.9 | 171.6 | 0 | 0 | 0 | 0 | 108.8 | L453 V461 I463 Y487 L498 | L453-V519 HydrophobicContact CB-CB 4.29Å; L453-V519 WeakPolarHBondContact CB-O 3.43Å; L453-V519 HydrophobicContact CD1-CB 4.33Å; L453-V519 HydrophobicContact CD1-CG1 4.46Å; L453-V519 PolarHBondContact N-O 2.83Å; L453-V519 PolarHBondContact O-N 2.87Å; V461-V519 HydrophobicContact CB-CB 4.24Å; V461-V519 HydrophobicContact CB-CG2 3.67Å; V461-V519 HydrophobicContact CG1-CB 4.36Å; V461-V519 HydrophobicContact CG1-CG2 4.24Å; V461-V519 HydrophobicContact CG2-CB 4.23Å; V461-V519 HydrophobicContact CG2-CG2 3.86Å; I463-V519 HydrophobicContact CD1-CB 4.37Å; I463-V519 HydrophobicContact CD1-CG1 3.86Å; Y487-V519 VanDerWaalsContact O-CA 3.29Å; Y487-V519 WeakPolarHBondContact O-CA 3.15Å; L498-V519 HydrophobicContact CD2-CG1 4.28Å; L498-V519 HydrophobicContact CD2-CG2 4.02Å |
| 520 | R | 97.2 | Very high | 92.1 | Very high | 63 Ų | 63 | 40.6 Ų | 40.6 | 24% | 0.238 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 117.3 | 169.5 | -179.2 | -171.7 | 174.3 | -126.5 | -6.7 | 107.8 | V450 Y451 W452 Y487 V489 E495 V522 | V450-R520 HydrophobicContact CG1-CG 4.11Å; Y451-R520 CarbonylContact O-C 3.55Å; Y451-R520 WeakPolarHBondContact O-CA 3.49Å; W452-R520 HydrophobicContact CD2-CB 4.44Å; W452-R520 HydrophobicContact CD2-CG 4.2Å; W452-R520 HydrophobicContact CE3-CB 4.03Å; W452-R520 HydrophobicContact CE3-CG 4.24Å; W452-R520 HydrophobicContact CH2-CB 4.31Å; W452-R520 HydrophobicContact CH2-CG 4.11Å; W452-R520 HydrophobicContact CZ2-CG 4.06Å; W452-R520 HydrophobicContact CZ3-CB 3.96Å; W452-R520 HydrophobicContact CZ3-CG 4.19Å; Y487-R520 PolarHBondContact N-O 3.19Å; Y487-R520 PolarHBondContact O-N 2.85Å; V489-R520 HydrophobicContact CG2-CB 3.93Å; E495-R520 IonicContact OE2-NH1 3.63Å; R520-V522 HydrophobicContact CG-CG2 4.14Å |
| 521 | A | 97.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 134.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109 | F434 V450 Y451 L484 E485 L486 | F434-A521 HydrophobicContact CE2-CB 4.34Å; V450-A521 CarbonylContact C-O 3.32Å; V450-A521 WeakPolarHBondContact CA-O 3.28Å; Y451-A521 HydrophobicContact CD2-CB 4.11Å; Y451-A521 PolarHBondContact N-O 2.98Å; Y451-A521 PolarHBondContact O-N 2.87Å; L484-A521 HydrophobicContact CD1-CB 4.26Å; E485-A521 CarbonylContact O-C 3.46Å; E485-A521 WeakPolarHBondContact O-CA 3.42Å; L486-A521 HydrophobicContact CD2-CB 3.34Å |
| 522 | V | 97 | Very high | 91.8 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 116 | 178.4 | -168.4 | 0 | 0 | 0 | 0 | 108.6 | T448 C449 V450 E485 Y487 R520 F524 | T448-V522 HydrophobicContact CG2-CG1 3.86Å; C449-V522 CarbonylContact O-C 3.58Å; C449-V522 WeakPolarHBondContact O-CA 3.16Å; V450-V522 HydrophobicContact CG1-CG2 4.48Å; V450-V522 HydrophobicContact CG2-CG1 4.09Å; V450-V522 HydrophobicContact CG2-CG2 4.41Å; E485-V522 PolarHBondContact N-O 3.1Å; E485-V522 PolarHBondContact O-N 3.12Å; Y487-V522 HydrophobicContact CD2-CG2 4.35Å; Y487-V522 HydrophobicContact CE2-CG2 4.16Å; R520-V522 HydrophobicContact CG-CG2 4.14Å; V522-F524 HydrophobicContact CB-CE2 3.84Å; V522-F524 HydrophobicContact CB-CZ 4.19Å; V522-F524 HydrophobicContact CG1-CD2 4.07Å; V522-F524 HydrophobicContact CG1-CE1 3.97Å; V522-F524 HydrophobicContact CG1-CE2 3.35Å; V522-F524 HydrophobicContact CG1-CZ 3.31Å |
| 523 | F | 96.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 131 | 175 | 177.7 | -122.2 | 0 | 0 | 0 | 109.6 | Y443 T448 C449 Y451 L470 R483 L484 F534 | Y443-F523 HydrophobicContact CD1-CE1 4.17Å; Y443-F523 AromaticContact CD1-CZ 3.8Å; Y443-F523 HydrophobicContact CD1-CZ 3.8Å; Y443-F523 AromaticContact CD2-CE1 3.89Å; Y443-F523 HydrophobicContact CD2-CE1 3.89Å; Y443-F523 AromaticContact CD2-CZ 3.7Å; Y443-F523 HydrophobicContact CD2-CZ 3.7Å; Y443-F523 AromaticContact CE1-CZ 3.91Å; Y443-F523 HydrophobicContact CE1-CZ 3.91Å; Y443-F523 HydrophobicContact CE2-CE1 4.45Å; Y443-F523 AromaticContact CE2-CZ 3.82Å; Y443-F523 HydrophobicContact CE2-CZ 3.82Å; Y443-F523 AromaticContact CG-CE1 3.73Å; Y443-F523 HydrophobicContact CG-CE1 3.73Å; Y443-F523 AromaticContact CG-CZ 3.7Å; Y443-F523 HydrophobicContact CG-CZ 3.7Å; Y443-F523 AromaticContact CZ-CZ 3.91Å; T448-F523 CarbonylContact C-O 3.59Å; T448-F523 WeakPolarHBondContact CA-O 3.46Å; C449-F523 HydrophobicContact CB-CB 4.37Å; C449-F523 PolarHBondContact N-O 2.82Å; C449-F523 PolarHBondContact O-N 3.19Å; Y451-F523 HydrophobicContact CE2-CB 4.26Å; L470-F523 HydrophobicContact CD1-CE2 3.99Å; L470-F523 HydrophobicContact CD2-CE2 3.55Å; L470-F523 HydrophobicContact CD2-CZ 3.98Å; L470-F523 HydrophobicContact CG-CE2 4.42Å; R483-F523 WeakPolarHBondContact O-CA 3.46Å; R483-F523 WeakPolarHBondContact O-CD2 3.2Å; L484-F523 HydrophobicContact CD1-CB 4.06Å; F523-F534 HydrophobicContact CB-CE1 3.98Å; F523-F534 HydrophobicContact CB-CZ 4.2Å; F523-F534 HydrophobicContact CD1-CE1 4.28Å; F523-F534 HydrophobicContact CD2-CD1 4.38Å; F523-F534 AromaticContact CD2-CE1 3.65Å; F523-F534 HydrophobicContact CD2-CE1 3.65Å; F523-F534 HydrophobicContact CE2-CE1 4.22Å; F523-F534 AromaticContact CG-CE1 3.69Å; F523-F534 HydrophobicContact CG-CE1 3.69Å; F523-F534 HydrophobicContact CG-CZ 4.35Å |
| 524 | F | 94.6 | Very high | 91.9 | Very high | 50 Ų | 50 | 41.1 Ų | 41.1 | 22% | 0.219 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 134.4 | 175.8 | -61.6 | -85.5 | 0 | 0 | 0 | 109.2 | T448 D482 R483 E485 V522 | T448-F524 HydrophobicContact CG2-CD1 3.85Å; T448-F524 HydrophobicContact CG2-CE1 3.61Å; T448-F524 HydrophobicContact CG2-CZ 4.34Å; T448-F524 WeakPolarHBondContact OG1-CD1 3.44Å; D482-F524 WeakPolarHBondContact CA-O 3.43Å; R483-F524 HydrophobicContact CG-CB 4.25Å; R483-F524 HydrophobicContact CG-CD2 4.1Å; R483-F524 PolarHBondContact N-O 3.28Å; R483-F524 PolarHBondContact O-N 3.11Å; E485-F524 HydrophobicContact CB-CE2 4.5Å; E485-F524 HydrophobicContact CG-CD2 4.41Å; E485-F524 HydrophobicContact CG-CE2 4.13Å; E485-F524 WeakPolarHBondContact OE2-CE2 3.32Å; V522-F524 HydrophobicContact CB-CE2 3.84Å; V522-F524 HydrophobicContact CB-CZ 4.19Å; V522-F524 HydrophobicContact CG1-CD2 4.07Å; V522-F524 HydrophobicContact CG1-CE1 3.97Å; V522-F524 HydrophobicContact CG1-CE2 3.35Å; V522-F524 HydrophobicContact CG1-CZ 3.31Å |
| 525 | S | 92 | Very high | 92.2 | Very high | 9 Ų | 9 | 38 Ų | 38 | 6% | 0.063 | 19% | 0.191 | C | C | . | . | trans | -119.8 | 142.6 | 166.8 | 63.3 | 0 | 0 | 0 | 0 | 111.5 | P444 D446 S447 D482 | P444-S525 VanDerWaalsContact O-CB 3.29Å; P444-S525 WeakPolarHBondContact O-CB 3.31Å; P444-S525 PolarHBondContact O-OG 3.26Å; D446-S525 VanDerWaalsContact CA-O 3.23Å; D446-S525 WeakPolarHBondContact CA-O 3.44Å; D446-S525 PolarHBondContact N-O 2.87Å; D446-S525 PolarHBondContact N-OG 2.57Å; S447-S525 WeakPolarHBondContact CB-OG 2.91Å; S447-S525 PolarHBondContact N-O 3.44Å; S447-S525 PolarHBondContact N-OG 3.08Å; S447-S525 PolarHBondContact O-N 2.7Å; S447-S525 PolarHBondContact O-OG 2.82Å; S447-S525 PolarHBondContact OG-OG 2.92Å; D482-S525 VanDerWaalsContact OD1-CA 3.29Å; D482-S525 WeakPolarHBondContact OD1-CA 3.39Å | ||
| 526 | D | 88 | Confident | 92.4 | Very high | 39 Ų | 39 | 35.9 Ų | 35.9 | 21% | 0.209 | 17% | 0.168 | C | C | . | . | trans | -91.1 | -169.1 | 178.1 | 81.8 | 8.1 | 0 | 0 | 0 | 112.6 | V445 D446 A481 D482 R528 | V445-D526 CarbonylContact C-O 3.51Å; V445-D526 WeakPolarHBondContact CA-O 3.45Å; V445-D526 WeakPolarHBondContact CB-O 3.36Å; D446-D526 PolarHBondContact N-O 2.81Å; A481-D526 HydrophobicContact CB-CB 3.85Å; A481-D526 WeakPolarHBondContact CB-OD2 3.39Å; D482-D526 PolarHBondContact OD1-N 2.97Å; D526-R528 VanDerWaalsContact OD1-C 3.28Å; D526-R528 WeakPolarHBondContact OD1-CA 3.19Å; D526-R528 PolarHBondContact OD1-N 2.99Å | ||
| 527 | I | 83.1 | Confident | 92.5 | Very high | 128 Ų | 128 | 37.4 Ų | 37.4 | 66% | 0.656 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -78.1 | -16.4 | -172.1 | -54.7 | 166.7 | 0 | 0 | 0 | 113.1 | V445 | V445-I527 WeakPolarHBondContact CG1-O 3.3Š|
| 528 | R | 77.9 | Confident | 92.4 | Very high | 187 Ų | 187 | 37.5 Ų | 37.5 | 71% | 0.706 | 18% | 0.175 | S | C | * | . | S | Bend | trans | 162.6 | 151.9 | 169.9 | -97 | 155.7 | -161.8 | -127 | 8.2 | 110.7 | V445 D526 | V445-R528 HydrophobicContact CG1-CG 4.04Å; D526-R528 VanDerWaalsContact OD1-C 3.28Å; D526-R528 WeakPolarHBondContact OD1-CA 3.19Å; D526-R528 PolarHBondContact OD1-N 2.99Å |
| 529 | P | 81.3 | Confident | 92.4 | Very high | 46 Ų | 46 | 40.4 Ų | 40.4 | 30% | 0.299 | 19% | 0.186 | S | C | . | . | cis | -86.9 | 168.2 | 2.3 | 27.8 | -24.7 | 0 | 0 | 0 | 113.8 | A471 | A471-P529 HydrophobicContact CB-CG 4.15Å; A471-P529 WeakPolarHBondContact CB-O 3.45Å | ||
| 530 | T | 86.2 | Confident | 92.4 | Very high | 38 Ų | 38 | 40.7 Ų | 40.7 | 23% | 0.233 | 19% | 0.187 | C | C | . | . | trans | -109.6 | 162.1 | 174.5 | 63 | 0 | 0 | 0 | 0 | 111.5 | Y443 V445 | Y443-T530 HydrophobicContact CD2-CG2 4.28Å; Y443-T530 HydrophobicContact CE2-CG2 4.18Å; Y443-T530 WeakPolarHBondContact O-CB 3.44Å; Y443-T530 VanDerWaalsContact O-CG2 3.29Å; Y443-T530 WeakPolarHBondContact O-CG2 3.43Å; V445-T530 HydrophobicContact CB-CG2 4.46Å; V445-T530 HydrophobicContact CG1-CG2 3.37Å | ||
| 531 | A | 91.1 | Very high | 92.3 | Very high | 14 Ų | 14 | 37.9 Ų | 37.9 | 12% | 0.116 | 18% | 0.177 | C | C | . | . | trans | -136.9 | 179.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | N442 Y443 I469 A471 G533 | N442-A531 WeakPolarHBondContact CA-O 3.26Å; N442-A531 PolarHBondContact OD1-O 2.97Å; Y443-A531 WeakPolarHBondContact CD1-O 3.35Å; Y443-A531 HydrophobicContact CE1-CB 3.98Å; Y443-A531 WeakPolarHBondContact CE1-O 3.46Å; Y443-A531 PolarHBondContact N-O 3.06Å; Y443-A531 PolarHBondContact OH-N 2.87Å; I469-A531 HydrophobicContact CG2-CB 4.31Å; I469-A531 WeakPolarHBondContact O-CB 3.29Å; A471-A531 HydrophobicContact CB-CB 4.31Å; A531-G533 PolarHBondContact O-N 3.07Å; A531-G533 VanDerWaalsContact O-N 3.14Å | ||
| 532 | T | 92.5 | Very high | 92.2 | Very high | 41 Ų | 41 | 40.3 Ų | 40.3 | 25% | 0.252 | 19% | 0.194 | S | C | . | . | trans | -64.6 | -16.8 | -179.9 | 57 | 0 | 0 | 0 | 0 | 113.6 | Y439 N442 Q467 | Y439-T532 WeakPolarHBondContact CD2-O 3.4Å; N442-T532 PolarHBondContact OD1-N 3.18Å; Q467-T532 PolarHBondContact NE2-OG1 2.83Å | ||
| 533 | G | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 81.7 | -142.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S436 Y443 I469 A531 | S436-G533 VanDerWaalsContact OG-CA 3.3Å; S436-G533 WeakPolarHBondContact OG-CA 3.39Å; Y443-G533 VanDerWaalsContact CD1-CA 3.46Å; I469-G533 PolarHBondContact N-O 2.9Å; I469-G533 VanDerWaalsContact O-CA 3.27Å; I469-G533 WeakPolarHBondContact O-CA 3.46Å; I469-G533 PolarHBondContact O-N 2.96Å; A531-G533 PolarHBondContact O-N 3.07Å; A531-G533 VanDerWaalsContact O-N 3.14Å |
| 534 | F | 95 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 155.2 | -173.2 | 65.8 | -96.4 | 0 | 0 | 0 | 113.3 | F434 N435 S436 Y451 F465 Q467 F468 L470 L484 F523 | F434-F534 AromaticContact CD2-CE2 3.89Å; F434-F534 HydrophobicContact CD2-CE2 3.89Å; F434-F534 AromaticContact CE2-CE2 3.76Å; F434-F534 HydrophobicContact CE2-CE2 3.76Å; N435-F534 CarbonylContact C-O 3.48Å; N435-F534 WeakPolarHBondContact CA-O 3.3Å; N435-F534 WeakPolarHBondContact CB-O 3.34Å; S436-F534 PolarHBondContact N-O 2.83Å; S436-F534 PolarHBondContact OG-N 2.86Å; S436-F534 PolarHBondContact OG-O 3.28Å; Y451-F534 HydrophobicContact CE2-CZ 4.22Å; F465-F534 HydrophobicContact CD1-CB 4.15Å; F465-F534 HydrophobicContact CD1-CD2 4.35Å; F465-F534 HydrophobicContact CE1-CB 4.27Å; F465-F534 AromaticContact CE1-CD2 3.86Å; F465-F534 HydrophobicContact CE1-CD2 3.86Å; F465-F534 HydrophobicContact CE1-CG 4.18Å; Q467-F534 CarbonylContact O-C 3.58Å; Q467-F534 WeakPolarHBondContact O-CA 3.35Å; Q467-F534 WeakPolarHBondContact O-CB 3.38Å; F468-F534 HydrophobicContact CB-CB 4.18Å; F468-F534 HydrophobicContact CD2-CB 3.58Å; F468-F534 HydrophobicContact CD2-CD1 4.39Å; F468-F534 HydrophobicContact CD2-CG 4.13Å; F468-F534 HydrophobicContact CE2-CB 4.37Å; F468-F534 HydrophobicContact CE2-CD1 4.38Å; F468-F534 HydrophobicContact CG-CB 4.23Å; L470-F534 HydrophobicContact CD2-CD1 4.27Å; L484-F534 HydrophobicContact CD1-CE1 4.06Å; L484-F534 HydrophobicContact CD1-CZ 3.88Å; L484-F534 HydrophobicContact CD2-CE1 4.34Å; L484-F534 HydrophobicContact CD2-CE2 4.43Å; L484-F534 HydrophobicContact CD2-CZ 4.3Å; F523-F534 HydrophobicContact CB-CE1 3.98Å; F523-F534 HydrophobicContact CB-CZ 4.2Å; F523-F534 HydrophobicContact CD1-CE1 4.28Å; F523-F534 HydrophobicContact CD2-CD1 4.38Å; F523-F534 AromaticContact CD2-CE1 3.65Å; F523-F534 HydrophobicContact CD2-CE1 3.65Å; F523-F534 HydrophobicContact CE2-CE1 4.22Å; F523-F534 AromaticContact CG-CE1 3.69Å; F523-F534 HydrophobicContact CG-CE1 3.69Å; F523-F534 HydrophobicContact CG-CZ 4.35Å |
| 535 | R | 95.4 | Very high | 91.7 | Very high | 81 Ų | 81 | 50.5 Ų | 50.5 | 31% | 0.306 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 122.7 | 169 | -178.1 | 176 | -177.1 | -104.7 | 5.5 | 109.4 | V433 N435 Y439 D466 Q467 | V433-R535 HydrophobicContact CG1-CG 3.77Å; N435-R535 HydrophobicContact CB-CB 4.39Å; Y439-R535 HydrophobicContact CD1-CB 4.32Å; Y439-R535 HydrophobicContact CD2-CB 4.3Å; Y439-R535 HydrophobicContact CE1-CB 3.91Å; Y439-R535 HydrophobicContact CE1-CG 4.25Å; Y439-R535 HydrophobicContact CE2-CB 3.85Å; D466-R535 PolarHBondContact N-O 2.64Å; D466-R535 IonicContact OD2-CZ 2.63Å; D466-R535 IonicContact OD2-NH1 2.8Å; D466-R535 PolarHBondContact OD2-NH1 3.06Å; Q467-R535 PolarHBondContact N-O 2.92Å; Q467-R535 PolarHBondContact O-N 3.4Å |
| 536 | A | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 143.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V433 F434 I463 Y464 F465 | V433-A536 CarbonylContact C-O 3.55Å; V433-A536 VanDerWaalsContact CA-O 3.26Å; V433-A536 WeakPolarHBondContact CA-O 3.49Å; V433-A536 WeakPolarHBondContact CG1-O 3.41Å; F434-A536 HydrophobicContact CD1-CB 3.99Å; F434-A536 HydrophobicContact CE1-CB 3.49Å; F434-A536 VanDerWaalsContact CE1-CB 3.49Å; F434-A536 HydrophobicContact CE2-CB 4.1Å; F434-A536 HydrophobicContact CG-CB 4.5Å; F434-A536 HydrophobicContact CZ-CB 3.55Å; F434-A536 PolarHBondContact N-O 2.77Å; F434-A536 PolarHBondContact O-N 3.22Å; F434-A536 VanDerWaalsContact O-O 3.1Å; I463-A536 HydrophobicContact CG2-CB 4.28Å; Y464-A536 CarbonylContact O-C 3.58Å; Y464-A536 WeakPolarHBondContact O-CA 3.01Å; F465-A536 HydrophobicContact CD1-CB 3.6Å; F465-A536 HydrophobicContact CE1-CB 3.53Å; F465-A536 HydrophobicContact CG-CB 4.16Å; F465-A536 HydrophobicContact CZ-CB 4.01Å |
| 537 | H | 95.8 | Very high | 91.9 | Very high | 33 Ų | 33 | 55 Ų | 55 | 15% | 0.153 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 141.8 | 171 | -67.5 | -107.3 | 0 | 0 | 0 | 109.3 | G432 V433 I463 Y464 D466 | G432-H537 CarbonylContact O-C 3.55Å; G432-H537 WeakPolarHBondContact O-CA 3.24Å; V433-H537 WeakPolarHBondContact CG2-ND1 3.48Å; I463-H537 VanDerWaalsContact CA-O 3.27Å; I463-H537 WeakPolarHBondContact CA-O 3.33Å; Y464-H537 HydrophobicContact CD1-CB 4.16Å; Y464-H537 HydrophobicContact CD2-CB 4Å; Y464-H537 HydrophobicContact CE1-CB 3.66Å; Y464-H537 HydrophobicContact CE2-CB 3.49Å; Y464-H537 VanDerWaalsContact CE2-CB 3.49Å; Y464-H537 AromaticContact CE2-CD2 3.67Å; Y464-H537 AromaticContact CE2-CG 3.59Å; Y464-H537 HydrophobicContact CG-CB 4.33Å; Y464-H537 AromaticContact CZ-CG 3.7Å; Y464-H537 PolarHBondContact N-O 2.82Å; Y464-H537 PolarHBondContact O-N 3.11Å; D466-H537 IonicContact OD1-NE2 2.78Å; D466-H537 IonicContact OD2-CD2 3.15Å; D466-H537 PolarHBondContact OD2-CD2 2.93Å; D466-H537 IonicContact OD2-CE1 2.8Å; D466-H537 IonicContact OD2-NE2 3.33Å; D466-H537 PolarHBondContact OD2-NE2 2.85Å |
| 538 | Y | 96.1 | Very high | 92.4 | Very high | 13 Ų | 13 | 52.6 Ų | 52.6 | 5% | 0.051 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 149.5 | 170.7 | 72.4 | -92.5 | 0 | 0 | 0 | 110.8 | F424 E431 G432 F434 L453 H462 F540 | F424-Y538 HydrophobicContact CB-CE1 4.15Å; F424-Y538 HydrophobicContact CB-CE2 4.37Å; F424-Y538 AromaticContact CD1-CE1 3.48Å; F424-Y538 HydrophobicContact CD1-CE1 3.48Å; F424-Y538 VanDerWaalsContact CD1-CE1 3.48Å; F424-Y538 AromaticContact CD1-CZ 3.7Å; F424-Y538 WeakPolarHBondContact CD1-OH 3.22Å; F424-Y538 HydrophobicContact CE1-CE1 4.02Å; F424-Y538 AromaticContact CG-CE1 3.93Å; F424-Y538 HydrophobicContact CG-CE1 3.93Å; E431-Y538 VanDerWaalsContact CA-O 3.26Å; E431-Y538 WeakPolarHBondContact CA-O 3.25Å; G432-Y538 VanDerWaalsContact CA-CE1 3.47Å; G432-Y538 PolarHBondContact N-O 2.73Å; G432-Y538 WeakPolarHBondContact O-CD1 3.4Å; G432-Y538 PolarHBondContact O-N 2.98Å; F434-Y538 HydrophobicContact CD1-CD1 4.01Å; L453-Y538 HydrophobicContact CD1-CG 4.44Å; L453-Y538 HydrophobicContact CD2-CD1 3.87Å; L453-Y538 HydrophobicContact CD2-CD2 4.39Å; L453-Y538 HydrophobicContact CD2-CE1 4.28Å; L453-Y538 HydrophobicContact CD2-CG 3.93Å; H462-Y538 CarbonylContact O-C 3.6Å; H462-Y538 VanDerWaalsContact O-CA 3.27Å; H462-Y538 WeakPolarHBondContact O-CA 3.33Å; Y538-F540 HydrophobicContact CD2-CD2 4.13Å; Y538-F540 AromaticContact CD2-CE2 3.74Å; Y538-F540 HydrophobicContact CD2-CE2 3.74Å; Y538-F540 HydrophobicContact CD2-CZ 4.03Å; Y538-F540 AromaticContact CE2-CD2 3.93Å; Y538-F540 HydrophobicContact CE2-CD2 3.93Å; Y538-F540 AromaticContact CE2-CE2 3.36Å; Y538-F540 HydrophobicContact CE2-CE2 3.36Å; Y538-F540 AromaticContact CE2-CZ 3.96Å; Y538-F540 HydrophobicContact CE2-CZ 3.96Å |
| 539 | R | 96.5 | Very high | 93.1 | Very high | 104 Ų | 104 | 44.5 Ų | 44.5 | 39% | 0.392 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 129.7 | 170.5 | -171.7 | 174.2 | -179.2 | 159.3 | 5.9 | 110.9 | N430 E431 H462 V541 | N430-R539 CarbonylContact O-C 3.57Å; N430-R539 WeakPolarHBondContact O-CA 3.45Å; E431-R539 HydrophobicContact CB-CB 4.4Å; E431-R539 HydrophobicContact CB-CG 4.24Å; H462-R539 PolarHBondContact N-O 2.74Å; H462-R539 PolarHBondContact O-N 2.89Å; R539-V541 HydrophobicContact CB-CG1 4.37Å; R539-V541 HydrophobicContact CG-CG1 3.88Å; R539-V541 PolarHBondContact O-N 3.27Å |
| 540 | F | 97.3 | Very high | 93.6 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 106.2 | 170.8 | -60.4 | -69.3 | 0 | 0 | 0 | 109.3 | F424 N430 L453 N454 G455 R460 V461 Y538 | F424-F540 WeakPolarHBondContact O-CZ 3.41Å; N430-F540 PolarHBondContact O-N 2.73Å; L453-F540 HydrophobicContact CB-CE1 4.18Å; L453-F540 HydrophobicContact CB-CZ 4.24Å; N454-F540 VanDerWaalsContact C-CE1 3.48Å; G455-F540 VanDerWaalsContact N-CE1 3.29Å; R460-F540 WeakPolarHBondContact O-CA 3.41Å; V461-F540 HydrophobicContact CG1-CE1 4.39Å; V461-F540 HydrophobicContact CG2-CD1 4Å; V461-F540 HydrophobicContact CG2-CE1 3.88Å; Y538-F540 HydrophobicContact CD2-CD2 4.13Å; Y538-F540 AromaticContact CD2-CE2 3.74Å; Y538-F540 HydrophobicContact CD2-CE2 3.74Å; Y538-F540 HydrophobicContact CD2-CZ 4.03Å; Y538-F540 AromaticContact CE2-CD2 3.93Å; Y538-F540 HydrophobicContact CE2-CD2 3.93Å; Y538-F540 AromaticContact CE2-CE2 3.36Å; Y538-F540 HydrophobicContact CE2-CE2 3.36Å; Y538-F540 AromaticContact CE2-CZ 3.96Å; Y538-F540 HydrophobicContact CE2-CZ 3.96Å |
| 541 | V | 95.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.024 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 142.4 | -176.3 | -67.2 | 0 | 0 | 0 | 0 | 110.7 | Q459 R460 H462 L511 R539 Y545 I546 | Q459-V541 CarbonylContact C-O 3.56Å; Q459-V541 VanDerWaalsContact CA-O 3.25Å; Q459-V541 WeakPolarHBondContact CA-O 3.36Å; R460-V541 HydrophobicContact CB-CG2 4.24Å; R460-V541 PolarHBondContact N-O 2.94Å; R460-V541 WeakPolarHBondContact O-CG2 3.39Å; R460-V541 PolarHBondContact O-N 2.03Å; H462-V541 HydrophobicContact CB-CG1 4.35Å; H462-V541 HydrophobicContact CB-CG2 4.23Å; L511-V541 HydrophobicContact CD1-CG2 3.81Å; R539-V541 HydrophobicContact CB-CG1 4.37Å; R539-V541 HydrophobicContact CG-CG1 3.88Å; R539-V541 PolarHBondContact O-N 3.27Å; V541-Y545 HydrophobicContact CB-CD1 3.75Å; V541-Y545 HydrophobicContact CB-CE1 4.22Å; V541-Y545 HydrophobicContact CG1-CD1 3.76Å; V541-Y545 HydrophobicContact CG1-CE1 3.71Å; V541-I546 HydrophobicContact CG2-CD1 3.84Å; V541-I546 HydrophobicContact CG2-CG1 4.06Å |
| 542 | S | 95.1 | Very high | 93.9 | Very high | 51 Ų | 51 | 55.5 Ų | 55.5 | 36% | 0.357 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 156.2 | 176.1 | 70.2 | 0 | 0 | 0 | 0 | 111.5 | K544 Y545 I546 | S542-K544 PolarHBondContact O-N 3.08Å; S542-Y545 WeakPolarHBondContact O-CB 3.34Å; S542-Y545 PolarHBondContact O-N 3.46Å; S542-Y545 PolarHBondContact OG-N 2.89Å; S542-Y545 VanDerWaalsContact OG-N 3.15Å; S542-I546 PolarHBondContact O-N 3.42Å |
| 543 | Q | 91.8 | Very high | 93.8 | Very high | 53 Ų | 53 | 55.1 Ų | 55.1 | 25% | 0.248 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60 | -30.5 | 172.8 | -170.1 | 62 | 21 | 0 | 0 | 112.5 | G458 K547 | G458-Q543 PolarHBondContact O-N 2.81Å; Q543-K547 WeakPolarHBondContact O-CG 3.38Å; Q543-K547 PolarHBondContact O-N 3.16Å; Q543-K547 VanDerWaalsContact O-N 3.12Å |
| 544 | K | 92.5 | Very high | 93.7 | Very high | 150 Ų | 150 | 66.4 Ų | 66.4 | 65% | 0.652 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.1 | -49.6 | 174.6 | -176.6 | 179.2 | 176.8 | -178.1 | 0 | 111.2 | S542 I546 K547 D548 | S542-K544 PolarHBondContact O-N 3.08Å; K544-I546 VanDerWaalsContact C-N 3.28Å; K544-I546 PolarHBondContact O-N 3.32Å; K544-K547 PolarHBondContact O-N 3.31Å; K544-K547 VanDerWaalsContact O-N 3.14Å; K544-D548 PolarHBondContact O-N 3.11Å |
| 545 | Y | 93.2 | Very high | 93.6 | Very high | 62 Ų | 62 | 66.5 Ų | 66.5 | 24% | 0.243 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.9 | -43.1 | 177.7 | 173.3 | -94.8 | 0 | 0 | 0 | 112.5 | V541 S542 D548 I549 N579 I581 | V541-Y545 HydrophobicContact CB-CD1 3.75Å; V541-Y545 HydrophobicContact CB-CE1 4.22Å; V541-Y545 HydrophobicContact CG1-CD1 3.76Å; V541-Y545 HydrophobicContact CG1-CE1 3.71Å; S542-Y545 WeakPolarHBondContact O-CB 3.34Å; S542-Y545 PolarHBondContact O-N 3.46Å; S542-Y545 PolarHBondContact OG-N 2.89Å; S542-Y545 VanDerWaalsContact OG-N 3.15Å; Y545-D548 PolarHBondContact O-N 2.91Å; Y545-I549 HydrophobicContact CD1-CD1 4.03Å; Y545-I549 HydrophobicContact CE1-CD1 3.36Å; Y545-I549 HydrophobicContact CE1-CG1 4.48Å; Y545-I549 HydrophobicContact CE2-CD1 3.96Å; Y545-I549 PolarHBondContact O-N 2.67Å; Y545-I549 VanDerWaalsContact O-N 3.1Å; Y545-I549 WeakPolarHBondContact OH-CD1 2.99Å; Y545-N579 PolarHBondContact OH-ND2 3.18Å; Y545-I581 HydrophobicContact CE1-CD1 4.36Å |
| 546 | I | 92.8 | Very high | 93.4 | Very high | 8 Ų | 8 | 65.2 Ų | 65.2 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 177.9 | -68.2 | 160.7 | 0 | 0 | 0 | 111.1 | R460 L511 V541 S542 K544 D548 I549 G550 I581 | R460-I546 HydrophobicContact CB-CD1 4.04Å; R460-I546 HydrophobicContact CG-CD1 4.35Å; L511-I546 HydrophobicContact CD1-CD1 4.25Å; L511-I546 HydrophobicContact CD2-CD1 4Å; L511-I546 HydrophobicContact CD2-CG1 4.28Å; V541-I546 HydrophobicContact CG2-CD1 3.84Å; V541-I546 HydrophobicContact CG2-CG1 4.06Å; S542-I546 PolarHBondContact O-N 3.42Å; K544-I546 VanDerWaalsContact C-N 3.28Å; K544-I546 PolarHBondContact O-N 3.32Å; I546-D548 PolarHBondContact O-N 3.48Å; I546-I549 PolarHBondContact O-N 3.3Å; I546-G550 PolarHBondContact O-N 3.1Å; I546-I581 HydrophobicContact CG1-CD1 4.44Å; I546-I581 HydrophobicContact CG2-CG2 3.91Å |
| 547 | K | 91.9 | Very high | 93.3 | Very high | 135 Ų | 135 | 71 Ų | 71 | 59% | 0.587 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.3 | -42.4 | 177.5 | -72.8 | 179.8 | 178.2 | -174.5 | 0 | 111.9 | Q543 K544 I549 G550 Q551 | Q543-K547 WeakPolarHBondContact O-CG 3.38Å; Q543-K547 PolarHBondContact O-N 3.16Å; Q543-K547 VanDerWaalsContact O-N 3.12Å; K544-K547 PolarHBondContact O-N 3.31Å; K544-K547 VanDerWaalsContact O-N 3.14Å; K547-I549 VanDerWaalsContact C-N 3.32Å; K547-I549 PolarHBondContact O-N 3.43Å; K547-G550 PolarHBondContact O-N 2.9Å; K547-Q551 WeakPolarHBondContact O-CB 3.41Å; K547-Q551 PolarHBondContact O-N 2.83Å |
| 548 | D | 93.7 | Very high | 93.2 | Very high | 78 Ų | 78 | 74.9 Ų | 74.9 | 42% | 0.417 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.3 | -40.3 | 179.4 | -65.1 | -16.3 | 0 | 0 | 0 | 111.2 | K544 Y545 I546 K552 | K544-D548 PolarHBondContact O-N 3.11Å; Y545-D548 PolarHBondContact O-N 2.91Å; I546-D548 PolarHBondContact O-N 3.48Å; D548-K552 WeakPolarHBondContact O-CB 3.45Å; D548-K552 PolarHBondContact O-N 2.93Å |
| 549 | I | 92.3 | Very high | 93.1 | Very high | 16 Ų | 16 | 75 Ų | 75 | 8% | 0.082 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.8 | -47.3 | 175.4 | -71.9 | 178.8 | 0 | 0 | 0 | 111.8 | Y545 I546 K547 Q551 K552 N553 I581 | Y545-I549 HydrophobicContact CD1-CD1 4.03Å; Y545-I549 HydrophobicContact CE1-CD1 3.36Å; Y545-I549 HydrophobicContact CE1-CG1 4.48Å; Y545-I549 HydrophobicContact CE2-CD1 3.96Å; Y545-I549 PolarHBondContact O-N 2.67Å; Y545-I549 VanDerWaalsContact O-N 3.1Å; Y545-I549 WeakPolarHBondContact OH-CD1 2.99Å; I546-I549 PolarHBondContact O-N 3.3Å; K547-I549 VanDerWaalsContact C-N 3.32Å; K547-I549 PolarHBondContact O-N 3.43Å; I549-Q551 VanDerWaalsContact C-N 3.31Å; I549-Q551 PolarHBondContact O-N 3.09Å; I549-K552 PolarHBondContact O-N 3.49Å; I549-N553 PolarHBondContact O-N 2.96Å; I549-N553 VanDerWaalsContact O-N 3.09Å; I549-N553 PolarHBondContact O-ND2 3.05Å; I549-I581 HydrophobicContact CD1-CD1 3.99Å; I549-I581 HydrophobicContact CD1-CG1 4.48Å; I549-I581 HydrophobicContact CG2-CB 3.88Å; I549-I581 HydrophobicContact CG2-CG1 4.15Å |
| 550 | G | 90.9 | Very high | 93 | Very high | 2 Ų | 2 | 74.1 Ų | 74.1 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I546 K547 R554 C555 | I546-G550 PolarHBondContact O-N 3.1Å; K547-G550 PolarHBondContact O-N 2.9Å; G550-R554 PolarHBondContact O-N 2.84Å; G550-C555 PolarHBondContact O-N 3.18Å |
| 551 | Q | 91.3 | Very high | 92.6 | Very high | 152 Ų | 152 | 77.5 Ų | 77.5 | 71% | 0.71 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -70 | -44.5 | 177.2 | -172.8 | 177.1 | 4.8 | 0 | 0 | 112.1 | K547 I549 N553 R554 | K547-Q551 WeakPolarHBondContact O-CB 3.41Å; K547-Q551 PolarHBondContact O-N 2.83Å; I549-Q551 VanDerWaalsContact C-N 3.31Å; I549-Q551 PolarHBondContact O-N 3.09Å; Q551-N553 PolarHBondContact O-N 3.41Å; Q551-R554 PolarHBondContact O-N 3.18Å; Q551-R554 VanDerWaalsContact O-N 3.1Å |
| 552 | K | 92.4 | Very high | 92.4 | Very high | 175 Ų | 175 | 80 Ų | 80 | 76% | 0.761 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -55.6 | -40.9 | 177.2 | 178.6 | 179.5 | 177.5 | -179.1 | 0 | 111.9 | D548 I549 | D548-K552 WeakPolarHBondContact O-CB 3.45Å; D548-K552 PolarHBondContact O-N 2.93Å; I549-K552 PolarHBondContact O-N 3.49Å |
| 553 | N | 91.4 | Very high | 92.2 | Very high | 33 Ų | 33 | 79.8 Ų | 79.8 | 18% | 0.176 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 3.2 | -178.7 | -62.2 | -72.6 | 0 | 0 | 0 | 113.7 | I549 Q551 C555 P570 L580 | I549-N553 PolarHBondContact O-N 2.96Å; I549-N553 VanDerWaalsContact O-N 3.09Å; I549-N553 PolarHBondContact O-ND2 3.05Å; Q551-N553 PolarHBondContact O-N 3.41Å; N553-C555 VanDerWaalsContact C-N 3.28Å; N553-C555 PolarHBondContact O-N 3.24Å; N553-P570 HydrophobicContact CB-CB 4.42Å; N553-P570 HydrophobicContact CB-CG 4.29Å; N553-L580 HydrophobicContact CB-CD2 3.72Å; N553-L580 WeakPolarHBondContact OD1-CD2 3.46Å |
| 554 | R | 90.6 | Very high | 92.3 | Very high | 237 Ų | 237 | 78.8 Ų | 78.8 | 89% | 0.894 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 45.8 | -179.8 | -55.9 | -178 | -176.7 | -173.5 | 0.6 | 113.3 | G550 Q551 | G550-R554 PolarHBondContact O-N 2.84Å; Q551-R554 PolarHBondContact O-N 3.18Å; Q551-R554 VanDerWaalsContact O-N 3.1Å |
| 555 | C | 92.2 | Very high | 92.4 | Very high | 3 Ų | 3 | 72.7 Ų | 72.7 | 2% | 0.02 | 38% | 0.375 | C | S | . | . | trans | -133.4 | 24.3 | -172 | 70.9 | 0 | 0 | 0 | 0 | 114.1 | G550 N553 P570 C582 D583 W584 | G550-C555 PolarHBondContact O-N 3.18Å; N553-C555 VanDerWaalsContact C-N 3.28Å; N553-C555 PolarHBondContact O-N 3.24Å; C555-P570 HydrophobicContact CB-CG 3.67Å; C555-C582 HydrophobicContact CB-CB 3.65Å; C555-C582 WeakPolarHBondContact CB-SG 3.48Å; C555-C582 CarbonylContact O-C 3.55Å; C555-C582 VanDerWaalsContact O-CA 3.23Å; C555-C582 WeakPolarHBondContact O-CA 3.22Å; C555-C582 WeakPolarHBondContact O-CB 3.47Å; C555-C582 WeakPolarHBondContact SG-CA 3.14Å; C555-C582 WeakPolarHBondContact SG-CB 3.46Å; C555-C582 CovalentContact SG-SG 2.04Å; C555-C582 PolarHBondContact SG-SG 3.37Å; C555-D583 PolarHBondContact O-N 2.89Å; C555-W584 HydrophobicContact CB-CH2 4.46Å; C555-W584 HydrophobicContact CB-CZ2 3.97Å; C555-W584 WeakPolarHBondContact O-CZ2 3.17Å | ||
| 556 | S | 92.9 | Very high | 92.4 | Very high | 54 Ų | 54 | 73.3 Ų | 73.3 | 38% | 0.378 | 39% | 0.386 | S | S | . | . | trans | -132.9 | 120.6 | 172.8 | -58.4 | 0 | 0 | 0 | 0 | 109.8 | D583 | S556-D583 CarbonylContact C-O 3.46Å; S556-D583 WeakPolarHBondContact CA-O 3.39Å; S556-D583 WeakPolarHBondContact CB-O 3.21Å; S556-D583 PolarHBondContact OG-N 2.8Å; S556-D583 VanDerWaalsContact OG-N 3.12Å | ||
| 557 | E | 92.5 | Very high | 92.5 | Very high | 122 Ų | 122 | 73.1 Ų | 73.1 | 57% | 0.57 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 145.7 | -171.6 | -170 | 177.4 | 178.3 | 0 | 0 | 111.9 | I559 D583 W584 E585 | E557-I559 HydrophobicContact CG-CG1 4.04Å; E557-D583 PolarHBondContact N-O 2.96Å; E557-W584 VanDerWaalsContact O-CA 3.31Å; E557-W584 WeakPolarHBondContact O-CA 3.35Å; E557-E585 PolarHBondContact O-N 3.1Å |
| 558 | K | 93.6 | Very high | 92.6 | Very high | 114 Ų | 114 | 68.6 Ų | 68.6 | 50% | 0.496 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 107.1 | 169.3 | -177.6 | 168.7 | 178.5 | 148.8 | 0 | 109.1 | T560 E585 | K558-T560 HydrophobicContact CG-CG2 4.13Å; K558-E585 CarbonylContact C-O 3.57Å; K558-E585 WeakPolarHBondContact CA-O 3.16Å; K558-E585 WeakPolarHBondContact CE-OE1 3.45Å; K558-E585 HydrophobicContact CG-CB 4.29Å; K558-E585 HydrophobicContact CG-CG 4.34Å; K558-E585 IonicContact NZ-OE1 2.73Å; K558-E585 PolarHBondContact NZ-OE1 3.49Å; K558-E585 IonicContact NZ-OE2 3.3Å |
| 559 | I | 94.4 | Very high | 92.7 | Very high | 16 Ų | 16 | 65 Ų | 65 | 8% | 0.082 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 115.8 | -174.6 | -59.9 | 170.1 | 0 | 0 | 0 | 108.4 | E557 I567 E585 I586 R587 W674 | E557-I559 HydrophobicContact CG-CG1 4.04Å; I559-I567 HydrophobicContact CD1-CD1 4Å; I559-I567 HydrophobicContact CD1-CG1 4.02Å; I559-E585 PolarHBondContact N-O 2.92Å; I559-I586 HydrophobicContact CB-CG2 4.47Å; I559-I586 HydrophobicContact CD1-CG1 4.32Å; I559-I586 HydrophobicContact CG2-CG2 4.46Å; I559-R587 PolarHBondContact O-N 3.41Å; I559-W674 HydrophobicContact CG2-CH2 4.21Å; I559-W674 HydrophobicContact CG2-CZ2 3.57Å |
| 560 | T | 93.4 | Very high | 92.7 | Very high | 85 Ų | 85 | 64.6 Ų | 64.6 | 52% | 0.521 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 143 | 178.7 | 61.3 | 0 | 0 | 0 | 0 | 110.5 | K558 S562 R587 | K558-T560 HydrophobicContact CG-CG2 4.13Å; T560-S562 VanDerWaalsContact C-N 3.27Å; T560-S562 PolarHBondContact O-N 2.87Å; T560-R587 HydrophobicContact CG2-CB 4.18Å |
| 561 | G | 88.8 | Confident | 92.6 | Very high | 78 Ų | 78 | 69.1 Ų | 69.1 | 80% | 0.804 | 37% | 0.373 | S | S | * | . | S | Bend | trans | 85.4 | -8.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 562 | S | 92.4 | Very high | 92.7 | Very high | 56 Ų | 56 | 64.7 Ų | 64.7 | 39% | 0.392 | 35% | 0.352 | S | S | . | . | trans | -84 | 151.3 | 169.1 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | T560 W674 | T560-S562 VanDerWaalsContact C-N 3.27Å; T560-S562 PolarHBondContact O-N 2.87Å; S562-W674 WeakPolarHBondContact O-CH2 3.26Å | ||
| 563 | I | 92.1 | Very high | 92.7 | Very high | 46 Ų | 46 | 60.5 Ų | 60.5 | 24% | 0.236 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -102.3 | -21.8 | 178.6 | 65.1 | 178.6 | 0 | 0 | 0 | 112.6 | E676 K701 V702 | I563-E676 HydrophobicContact CB-CG 4.06Å; I563-E676 WeakPolarHBondContact CB-OE1 3.47Å; I563-E676 WeakPolarHBondContact CG2-OE1 3.39Å; I563-E676 WeakPolarHBondContact O-CG 3.41Å; I563-E676 PolarHBondContact O-N 3.21Å; I563-K701 HydrophobicContact CD1-CB 3.86Å; I563-K701 HydrophobicContact CD1-CD 4.1Å; I563-V702 HydrophobicContact CD1-CG1 3.93Å; I563-V702 HydrophobicContact CG1-CG1 3.97Å |
| 564 | S | 93.7 | Very high | 92.7 | Very high | 32 Ų | 32 | 64.5 Ų | 64.5 | 22% | 0.224 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 169.9 | 170.6 | 62 | 0 | 0 | 0 | 0 | 109.5 | W674 T675 V702 | S564-W674 CarbonylContact C-O 3.53Å; S564-W674 WeakPolarHBondContact CA-O 3.49Å; S564-W674 WeakPolarHBondContact CB-O 3.49Å; S564-T675 VanDerWaalsContact CB-OG1 3.3Å; S564-T675 WeakPolarHBondContact CB-OG1 3.37Å; S564-V702 VanDerWaalsContact OG-CG1 3.26Å; S564-V702 WeakPolarHBondContact OG-CG1 3.42Å |
| 565 | G | 93.8 | Very high | 92.7 | Very high | 22 Ų | 22 | 60.7 Ų | 60.7 | 23% | 0.227 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.6 | -173.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S673 W674 | G565-S673 WeakPolarHBondContact O-CA 3.5Å; G565-W674 PolarHBondContact N-O 3.21Å; G565-W674 VanDerWaalsContact O-CD1 3.22Å; G565-W674 PolarHBondContact O-N 3.12Å |
| 566 | T | 93.6 | Very high | 92.8 | Very high | 75 Ų | 75 | 60.7 Ų | 60.7 | 46% | 0.46 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 142.2 | -179.6 | 56.8 | 0 | 0 | 0 | 0 | 111.3 | N671 L672 L707 | T566-N671 WeakPolarHBondContact CB-OD1 3.42Å; T566-L672 CarbonylContact C-O 3.47Å; T566-L672 VanDerWaalsContact CA-O 3.23Å; T566-L672 WeakPolarHBondContact CA-O 3.41Å; T566-L707 HydrophobicContact CG2-CD1 4.09Å |
| 567 | I | 94.6 | Very high | 92.8 | Very high | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 124 | 175.8 | -66.4 | 170.5 | 0 | 0 | 0 | 108.3 | I559 W584 I586 I655 F670 N671 L672 | I559-I567 HydrophobicContact CD1-CD1 4Å; I559-I567 HydrophobicContact CD1-CG1 4.02Å; I567-W584 HydrophobicContact CD1-CB 4.01Å; I567-W584 HydrophobicContact CD1-CG 4.06Å; I567-W584 HydrophobicContact CG2-CD2 3.61Å; I567-W584 VanDerWaalsContact CG2-CE2 3.41Å; I567-W584 HydrophobicContact CG2-CE3 4.13Å; I567-W584 HydrophobicContact CG2-CG 3.94Å; I567-W584 HydrophobicContact CG2-CH2 4.24Å; I567-W584 HydrophobicContact CG2-CZ2 3.75Å; I567-W584 HydrophobicContact CG2-CZ3 4.42Å; I567-I586 HydrophobicContact CD1-CD1 3.59Å; I567-I586 HydrophobicContact CD1-CG1 4.02Å; I567-I655 HydrophobicContact CD1-CD1 3.68Å; I567-F670 HydrophobicContact CG2-CE2 4.49Å; I567-N671 CarbonylContact O-C 3.55Å; I567-N671 WeakPolarHBondContact O-CA 3.41Å; I567-N671 PolarHBondContact O-OD1 2.88Å; I567-L672 PolarHBondContact N-O 2.92Å; I567-L672 PolarHBondContact O-N 3.02Å |
| 568 | S | 94.6 | Very high | 92.8 | Very high | 39 Ų | 39 | 61.1 Ų | 61.1 | 27% | 0.273 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 153.4 | 179.1 | -62.2 | 0 | 0 | 0 | 0 | 112.1 | F670 N671 | S568-F670 CarbonylContact C-O 3.46Å; S568-F670 WeakPolarHBondContact CA-O 3.4Å; S568-F670 WeakPolarHBondContact CB-O 3.42Å; S568-N671 VanDerWaalsContact OG-CG 3.24Å; S568-N671 PolarHBondContact OG-OD1 2.86Å |
| 569 | S | 94.6 | Very high | 92.8 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | trans | -60.2 | 155.3 | 168.8 | 54.1 | 0 | 0 | 0 | 0 | 111.4 | N571 F572 G669 F670 | S569-N571 PolarHBondContact O-N 3.4Å; S569-F572 VanDerWaalsContact O-CB 3.3Å; S569-F572 WeakPolarHBondContact O-CB 3.43Å; S569-F572 PolarHBondContact O-N 3.26Å; S569-F572 VanDerWaalsContact O-N 3.12Å; S569-G669 VanDerWaalsContact OG-CA 3.22Å; S569-G669 WeakPolarHBondContact OG-CA 3.49Å; S569-F670 PolarHBondContact N-O 2.99Å; S569-F670 PolarHBondContact OG-N 2.75Å | ||
| 570 | P | 92.6 | Very high | 92.8 | Very high | 8 Ų | 8 | 57.1 Ų | 57.1 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 135.1 | 176.1 | -22.5 | 28.7 | 0 | 0 | 0 | 112.5 | N553 C555 F572 L580 | N553-P570 HydrophobicContact CB-CB 4.42Å; N553-P570 HydrophobicContact CB-CG 4.29Å; C555-P570 HydrophobicContact CB-CG 3.67Å; P570-F572 PolarHBondContact O-N 3.19Å; P570-L580 HydrophobicContact CB-CD1 4.48Å; P570-L580 HydrophobicContact CG-CD1 3.77Å; P570-L580 HydrophobicContact CG-CD2 3.94Å; P570-L580 HydrophobicContact CG-CG 4.47Å |
| 571 | N | 89.6 | Confident | 92.9 | Very high | 97 Ų | 97 | 53.1 Ų | 53.1 | 52% | 0.519 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 8.9 | 180 | -50.6 | -43.2 | 0 | 0 | 0 | 116.1 | S569 I574 | S569-N571 PolarHBondContact O-N 3.4Å; N571-I574 HydrophobicContact CB-CB 4.06Å; N571-I574 WeakPolarHBondContact O-CA 3.24Å; N571-I574 WeakPolarHBondContact O-CB 3.28Å; N571-I574 WeakPolarHBondContact O-CG1 3.34Å; N571-I574 PolarHBondContact O-N 2.87Å |
| 572 | F | 92.1 | Very high | 93.2 | Very high | 59 Ų | 59 | 49.4 Ų | 49.4 | 26% | 0.259 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | 134.8 | 178.1 | -179.6 | -92.2 | 0 | 0 | 0 | 111.7 | S569 P570 V600 K668 N671 | S569-F572 VanDerWaalsContact O-CB 3.3Å; S569-F572 WeakPolarHBondContact O-CB 3.43Å; S569-F572 PolarHBondContact O-N 3.26Å; S569-F572 VanDerWaalsContact O-N 3.12Å; P570-F572 PolarHBondContact O-N 3.19Å; F572-V600 HydrophobicContact CE2-CB 4.3Å; F572-V600 HydrophobicContact CE2-CG1 4.05Å; F572-V600 HydrophobicContact CZ-CB 4.11Å; F572-V600 HydrophobicContact CZ-CG1 4.16Å; F572-V600 HydrophobicContact CZ-CG2 4.29Å; F572-K668 VanDerWaalsContact CD2-O 3.25Å; F572-K668 WeakPolarHBondContact CD2-O 3.47Å; F572-N671 HydrophobicContact CD1-CB 4.48Å; F572-N671 HydrophobicContact CE1-CB 3.99Å; F572-N671 HydrophobicContact CE2-CB 4.4Å; F572-N671 HydrophobicContact CZ-CB 3.96Å |
| 573 | P | 92.4 | Very high | 93.3 | Very high | 86 Ų | 86 | 49 Ų | 49 | 56% | 0.558 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -89.8 | 18 | 7.6 | 37 | -37 | 0 | 0 | 0 | 115.1 | ||
| 574 | I | 91.6 | Very high | 93.4 | Very high | 118 Ų | 118 | 47.5 Ų | 47.5 | 61% | 0.605 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -78.7 | 157.7 | 173.7 | -51.1 | 167 | 0 | 0 | 0 | 109.3 | N571 Y576 | N571-I574 HydrophobicContact CB-CB 4.06Å; N571-I574 WeakPolarHBondContact O-CA 3.24Å; N571-I574 WeakPolarHBondContact O-CB 3.28Å; N571-I574 WeakPolarHBondContact O-CG1 3.34Å; N571-I574 PolarHBondContact O-N 2.87Å; I574-Y576 PolarHBondContact O-N 3.19Å |
| 575 | R | 92.1 | Very high | 93.5 | Very high | 156 Ų | 156 | 47.6 Ų | 47.6 | 59% | 0.589 | 25% | 0.25 | S | C | * | . | P | Polyproline II helix | trans | -56.2 | 130.9 | 178.6 | -63.8 | 175.3 | -178.5 | -139.3 | 7.2 | 112 | G666 L667 | R575-G666 VanDerWaalsContact CD-O 3.23Å; R575-G666 WeakPolarHBondContact CD-O 3.27Å; R575-G666 WeakPolarHBondContact CG-O 3.25Å; R575-G666 PolarHBondContact NH1-O 2.8Å; R575-L667 WeakPolarHBondContact CA-O 3.27Å |
| 576 | Y | 93.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -71.2 | 157.5 | 169.6 | 60.5 | -100.2 | 0 | 0 | 0 | 110.8 | I574 L580 V603 E604 A619 F657 T659 V664 G666 L667 | I574-Y576 PolarHBondContact O-N 3.19Å; Y576-L580 HydrophobicContact CD2-CD1 4.43Å; Y576-V603 HydrophobicContact CE1-CG2 4.49Å; Y576-E604 WeakPolarHBondContact OH-CG 3.05Å; Y576-E604 PolarHBondContact OH-N 3.03Å; Y576-A619 HydrophobicContact CE2-CB 4.03Å; Y576-F657 HydrophobicContact CD1-CE1 4.43Å; Y576-F657 HydrophobicContact CD1-CZ 4.04Å; Y576-F657 HydrophobicContact CD2-CE1 4.2Å; Y576-F657 AromaticContact CD2-CZ 3.93Å; Y576-F657 HydrophobicContact CD2-CZ 3.93Å; Y576-F657 HydrophobicContact CE1-CZ 4.11Å; Y576-F657 HydrophobicContact CE2-CZ 4.02Å; Y576-F657 HydrophobicContact CG-CE1 4.05Å; Y576-F657 AromaticContact CG-CZ 3.95Å; Y576-F657 HydrophobicContact CG-CZ 3.95Å; Y576-T659 HydrophobicContact CD2-CG2 3.79Å; Y576-T659 HydrophobicContact CE2-CG2 3.9Å; Y576-V664 HydrophobicContact CD2-CG1 4.2Å; Y576-V664 HydrophobicContact CE2-CG1 3.76Å; Y576-G666 WeakPolarHBondContact O-CA 3.3Å; Y576-L667 WeakPolarHBondContact CD1-O 3.39Å; Y576-L667 HydrophobicContact CE1-CB 4.02Å; Y576-L667 VanDerWaalsContact CE1-O 3.31Å; Y576-L667 WeakPolarHBondContact CE1-O 3.42Å; Y576-L667 PolarHBondContact N-O 2.79Å; Y576-L667 VanDerWaalsContact N-O 3.13Å |
| 577 | V | 93.1 | Very high | 93.6 | Very high | 65 Ų | 65 | 47.2 Ų | 47.2 | 39% | 0.394 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -99.4 | 172.2 | -176.7 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | L580 T659 | V577-L580 HydrophobicContact CG2-CD1 4.22Å; V577-L580 HydrophobicContact CG2-CD2 3.66Å; V577-L580 HydrophobicContact CG2-CG 3.9Å; V577-L580 VanDerWaalsContact O-CD1 3.24Å; V577-L580 WeakPolarHBondContact O-CD1 3.4Å; V577-L580 WeakPolarHBondContact O-CG 3.38Å; V577-T659 PolarHBondContact O-OG1 2.85Å |
| 578 | K | 93.3 | Very high | 93.6 | Very high | 120 Ų | 120 | 47.6 Ų | 47.6 | 52% | 0.522 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -74 | 163.8 | 173.2 | 74.1 | -169.6 | -171.6 | 173.7 | 0 | 112.7 | L580 P661 V664 | K578-L580 VanDerWaalsContact C-N 3.3Å; K578-L580 PolarHBondContact O-N 3.23Å; K578-P661 WeakPolarHBondContact CD-O 3.47Å; K578-P661 WeakPolarHBondContact CG-O 3.32Å; K578-V664 HydrophobicContact CB-CB 3.77Å; K578-V664 HydrophobicContact CB-CG1 4.45Å; K578-V664 HydrophobicContact CB-CG2 4.12Å |
| 579 | N | 92.5 | Very high | 93.5 | Very high | 45 Ų | 45 | 51.4 Ų | 51.4 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 56.5 | 32.6 | 177.5 | -160.1 | 43 | 0 | 0 | 0 | 115.9 | Y545 T659 H660 P661 | Y545-N579 PolarHBondContact OH-ND2 3.18Å; N579-T659 PolarHBondContact N-OG1 2.82Å; N579-H660 PolarHBondContact N-O 3.22Å; N579-H660 VanDerWaalsContact N-O 3.14Å; N579-P661 HydrophobicContact CB-CB 4.4Å |
| 580 | L | 94.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | trans | -77.9 | 136.9 | 173.8 | -67.7 | 174.6 | 0 | 0 | 0 | 112.5 | N553 P570 Y576 V577 K578 F657 R658 T659 | N553-L580 HydrophobicContact CB-CD2 3.72Å; N553-L580 WeakPolarHBondContact OD1-CD2 3.46Å; P570-L580 HydrophobicContact CB-CD1 4.48Å; P570-L580 HydrophobicContact CG-CD1 3.77Å; P570-L580 HydrophobicContact CG-CD2 3.94Å; P570-L580 HydrophobicContact CG-CG 4.47Å; Y576-L580 HydrophobicContact CD2-CD1 4.43Å; V577-L580 HydrophobicContact CG2-CD1 4.22Å; V577-L580 HydrophobicContact CG2-CD2 3.66Å; V577-L580 HydrophobicContact CG2-CG 3.9Å; V577-L580 VanDerWaalsContact O-CD1 3.24Å; V577-L580 WeakPolarHBondContact O-CD1 3.4Å; V577-L580 WeakPolarHBondContact O-CG 3.38Å; K578-L580 VanDerWaalsContact C-N 3.3Å; K578-L580 PolarHBondContact O-N 3.23Å; L580-F657 HydrophobicContact CD1-CD1 4.33Å; L580-F657 HydrophobicContact CD1-CE1 3.85Å; L580-R658 WeakPolarHBondContact O-CA 3.5Å; L580-T659 HydrophobicContact CB-CG2 3.98Å; L580-T659 WeakPolarHBondContact CB-OG1 3.5Å; L580-T659 HydrophobicContact CD1-CG2 3.99Å; L580-T659 HydrophobicContact CG-CG2 4.35Å; L580-T659 PolarHBondContact N-OG1 2.99Å; L580-T659 PolarHBondContact O-N 2.85Å | ||
| 581 | I | 95.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 95.3 | 171.7 | -54.5 | -180 | 0 | 0 | 0 | 106.8 | L511 Y545 I546 I549 R658 | L511-I581 HydrophobicContact CD2-CG2 3.85Å; Y545-I581 HydrophobicContact CE1-CD1 4.36Å; I546-I581 HydrophobicContact CG1-CD1 4.44Å; I546-I581 HydrophobicContact CG2-CG2 3.91Å; I549-I581 HydrophobicContact CD1-CD1 3.99Å; I549-I581 HydrophobicContact CD1-CG1 4.48Å; I549-I581 HydrophobicContact CG2-CB 3.88Å; I549-I581 HydrophobicContact CG2-CG1 4.15Å; I581-R658 VanDerWaalsContact CG2-CZ 3.42Å |
| 582 | C | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 126.6 | -176.5 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | C555 W584 S656 F657 R658 | C555-C582 HydrophobicContact CB-CB 3.65Å; C555-C582 WeakPolarHBondContact CB-SG 3.48Å; C555-C582 CarbonylContact O-C 3.55Å; C555-C582 VanDerWaalsContact O-CA 3.23Å; C555-C582 WeakPolarHBondContact O-CA 3.22Å; C555-C582 WeakPolarHBondContact O-CB 3.47Å; C555-C582 WeakPolarHBondContact SG-CA 3.14Å; C555-C582 WeakPolarHBondContact SG-CB 3.46Å; C555-C582 CovalentContact SG-SG 2.04Å; C555-C582 PolarHBondContact SG-SG 3.37Å; C582-W584 HydrophobicContact CB-CE3 4.49Å; C582-W584 HydrophobicContact CB-CH2 3.43Å; C582-W584 VanDerWaalsContact CB-CH2 3.43Å; C582-W584 HydrophobicContact CB-CZ2 4.05Å; C582-W584 HydrophobicContact CB-CZ3 3.69Å; C582-S656 CarbonylContact O-C 3.02Å; C582-S656 VanDerWaalsContact O-CA 3.27Å; C582-S656 WeakPolarHBondContact O-CA 3.38Å; C582-F657 HydrophobicContact CB-CB 4.1Å; C582-F657 PolarHBondContact N-O 3.4Å; C582-F657 PolarHBondContact O-N 2.71Å; C582-R658 VanDerWaalsContact C-NH1 3.28Å; C582-R658 PolarHBondContact O-NH1 3.1Å |
| 583 | D | 94.2 | Very high | 93.4 | Very high | 49 Ų | 49 | 57.4 Ų | 57.4 | 26% | 0.262 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 123.4 | -175.9 | -70.7 | -49.1 | 0 | 0 | 0 | 111.7 | C555 S556 E557 S656 R658 | C555-D583 PolarHBondContact O-N 2.89Å; S556-D583 CarbonylContact C-O 3.46Å; S556-D583 WeakPolarHBondContact CA-O 3.39Å; S556-D583 WeakPolarHBondContact CB-O 3.21Å; S556-D583 PolarHBondContact OG-N 2.8Å; S556-D583 VanDerWaalsContact OG-N 3.12Å; E557-D583 PolarHBondContact N-O 2.96Å; D583-S656 VanDerWaalsContact OD1-CB 3.28Å; D583-S656 WeakPolarHBondContact OD1-CB 3.45Å; D583-R658 IonicContact OD1-CZ 2.89Å; D583-R658 IonicContact OD1-NH1 3.56Å; D583-R658 PolarHBondContact OD1-NH1 2.93Å; D583-R658 IonicContact OD1-NH2 2.65Å; D583-R658 PolarHBondContact OD1-NH2 2.94Å; D583-R658 IonicContact OD2-CZ 3.4Å; D583-R658 IonicContact OD2-NH1 2.87Å; D583-R658 IonicContact OD2-NH2 3.13Å; D583-R658 PolarHBondContact OD2-NH2 2.85Å |
| 584 | W | 95 | Very high | 93.5 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 5% | 0.049 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 135.5 | 175.6 | -57.5 | -92.9 | 0 | 0 | 0 | 111.4 | C555 E557 I567 C582 Y654 I655 F657 F670 | C555-W584 HydrophobicContact CB-CH2 4.46Å; C555-W584 HydrophobicContact CB-CZ2 3.97Å; C555-W584 WeakPolarHBondContact O-CZ2 3.17Å; E557-W584 VanDerWaalsContact O-CA 3.31Å; E557-W584 WeakPolarHBondContact O-CA 3.35Å; I567-W584 HydrophobicContact CD1-CB 4.01Å; I567-W584 HydrophobicContact CD1-CG 4.06Å; I567-W584 HydrophobicContact CG2-CD2 3.61Å; I567-W584 VanDerWaalsContact CG2-CE2 3.41Å; I567-W584 HydrophobicContact CG2-CE3 4.13Å; I567-W584 HydrophobicContact CG2-CG 3.94Å; I567-W584 HydrophobicContact CG2-CH2 4.24Å; I567-W584 HydrophobicContact CG2-CZ2 3.75Å; I567-W584 HydrophobicContact CG2-CZ3 4.42Å; C582-W584 HydrophobicContact CB-CE3 4.49Å; C582-W584 HydrophobicContact CB-CH2 3.43Å; C582-W584 VanDerWaalsContact CB-CH2 3.43Å; C582-W584 HydrophobicContact CB-CZ2 4.05Å; C582-W584 HydrophobicContact CB-CZ3 3.69Å; W584-Y654 WeakPolarHBondContact O-CA 2.92Å; W584-I655 HydrophobicContact CB-CB 4.29Å; W584-I655 HydrophobicContact CE3-CB 4.23Å; W584-I655 HydrophobicContact CE3-CG2 4.05Å; W584-I655 HydrophobicContact CZ3-CG2 4.49Å; W584-I655 PolarHBondContact N-O 3.49Å; W584-I655 PolarHBondContact O-N 3.21Å; W584-F657 HydrophobicContact CH2-CB 4.08Å; W584-F657 HydrophobicContact CZ3-CB 3.77Å; W584-F670 AromaticContact CH2-CZ 3.98Å; W584-F670 HydrophobicContact CH2-CZ 3.98Å; W584-F670 HydrophobicContact CZ3-CZ 4.21Å |
| 585 | E | 94.6 | Very high | 93.6 | Very high | 35 Ų | 35 | 47.9 Ų | 47.9 | 16% | 0.164 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 109.9 | 172.7 | 177.5 | -178.1 | 152.9 | 0 | 0 | 108.3 | E557 K558 I559 R587 V652 Y654 | E557-E585 PolarHBondContact O-N 3.1Å; K558-E585 CarbonylContact C-O 3.57Å; K558-E585 WeakPolarHBondContact CA-O 3.16Å; K558-E585 WeakPolarHBondContact CE-OE1 3.45Å; K558-E585 HydrophobicContact CG-CB 4.29Å; K558-E585 HydrophobicContact CG-CG 4.34Å; K558-E585 IonicContact NZ-OE1 2.73Å; K558-E585 PolarHBondContact NZ-OE1 3.49Å; K558-E585 IonicContact NZ-OE2 3.3Å; I559-E585 PolarHBondContact N-O 2.92Å; E585-R587 HydrophobicContact CG-CG 4.28Å; E585-R587 IonicContact OE1-CZ 3.81Å; E585-R587 IonicContact OE1-NE 3.82Å; E585-R587 PolarHBondContact OE1-NE 2.68Å; E585-R587 IonicContact OE1-NH2 2.96Å; E585-R587 PolarHBondContact OE1-NH2 3.04Å; E585-V652 HydrophobicContact CG-CG1 4.35Å; E585-Y654 HydrophobicContact CB-CD1 4.13Å; E585-Y654 HydrophobicContact CB-CE1 4.14Å; E585-Y654 HydrophobicContact CG-CD1 4.04Å; E585-Y654 HydrophobicContact CG-CE1 3.62Å |
| 586 | I | 95.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 124.1 | 176.8 | -46.7 | 174.7 | 0 | 0 | 0 | 107.8 | I559 I567 V588 I594 V652 I653 I655 W674 | I559-I586 HydrophobicContact CB-CG2 4.47Å; I559-I586 HydrophobicContact CD1-CG1 4.32Å; I559-I586 HydrophobicContact CG2-CG2 4.46Å; I567-I586 HydrophobicContact CD1-CD1 3.59Å; I567-I586 HydrophobicContact CD1-CG1 4.02Å; I586-V588 HydrophobicContact CG2-CG1 4.35Å; I586-I594 HydrophobicContact CB-CD1 4.04Å; I586-I594 HydrophobicContact CG2-CD1 3.93Å; I586-I594 WeakPolarHBondContact O-CD1 3.44Å; I586-V652 VanDerWaalsContact O-CA 3.32Å; I586-V652 WeakPolarHBondContact O-CA 3.17Å; I586-I653 HydrophobicContact CB-CG2 3.95Å; I586-I653 HydrophobicContact CD1-CG2 3.91Å; I586-I653 HydrophobicContact CG1-CG2 4.15Å; I586-I653 PolarHBondContact N-O 2.73Å; I586-I653 VanDerWaalsContact N-O 3.08Å; I586-I653 PolarHBondContact O-N 2.74Å; I586-I653 VanDerWaalsContact O-N 3.14Å; I586-I655 HydrophobicContact CD1-CD1 3.95Å; I586-W674 HydrophobicContact CD1-CB 4.14Å; I586-W674 HydrophobicContact CD1-CD2 3.94Å; I586-W674 HydrophobicContact CD1-CG 3.63Å; I586-W674 HydrophobicContact CG2-CD2 3.91Å; I586-W674 HydrophobicContact CG2-CE3 3.85Å; I586-W674 HydrophobicContact CG2-CH2 3.96Å; I586-W674 HydrophobicContact CG2-CZ2 4.05Å; I586-W674 HydrophobicContact CG2-CZ3 3.87Å |
| 587 | R | 95 | Very high | 93.7 | Very high | 89 Ų | 89 | 41.1 Ų | 41.1 | 34% | 0.336 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 125.5 | 170.1 | -54.2 | -162.3 | 175.2 | -126.7 | -7.1 | 111.1 | I559 T560 E585 N651 V652 | I559-R587 PolarHBondContact O-N 3.41Å; T560-R587 HydrophobicContact CG2-CB 4.18Å; E585-R587 HydrophobicContact CG-CG 4.28Å; E585-R587 IonicContact OE1-CZ 3.81Å; E585-R587 IonicContact OE1-NE 3.82Å; E585-R587 PolarHBondContact OE1-NE 2.68Å; E585-R587 IonicContact OE1-NH2 2.96Å; E585-R587 PolarHBondContact OE1-NH2 3.04Å; R587-N651 WeakPolarHBondContact CA-O 3.22Å; R587-V652 HydrophobicContact CB-CG2 4.35Å; R587-V652 HydrophobicContact CG-CB 4.5Å; R587-V652 HydrophobicContact CG-CG1 4.1Å; R587-V652 HydrophobicContact CG-CG2 3.83Å |
| 588 | V | 94.4 | Very high | 93.7 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 7% | 0.073 | 20% | 0.199 | C | C | . | . | trans | -107.6 | 178.9 | 176.9 | -60.6 | 0 | 0 | 0 | 0 | 111.2 | I586 I594 N651 W674 E676 | I586-V588 HydrophobicContact CG2-CG1 4.35Å; V588-I594 HydrophobicContact CB-CG1 4.23Å; V588-I594 HydrophobicContact CG1-CD1 4Å; V588-I594 HydrophobicContact CG1-CG1 3.66Å; V588-I594 HydrophobicContact CG2-CD1 4.08Å; V588-I594 HydrophobicContact CG2-CG1 3.53Å; V588-N651 HydrophobicContact CG2-CB 3.87Å; V588-N651 PolarHBondContact N-O 2.57Å; V588-N651 PolarHBondContact O-ND2 2.85Å; V588-N651 VanDerWaalsContact O-ND2 3.07Å; V588-W674 HydrophobicContact CG1-CE3 4.43Å; V588-W674 HydrophobicContact CG1-CH2 4.46Å; V588-W674 HydrophobicContact CG1-CZ3 3.7Å; V588-E676 HydrophobicContact CB-CB 3.84Å; V588-E676 HydrophobicContact CG1-CB 3.66Å; V588-E676 HydrophobicContact CG2-CB 4.3Å | ||
| 589 | R | 93.1 | Very high | 93.6 | Very high | 119 Ų | 119 | 36.4 Ų | 36.4 | 45% | 0.449 | 20% | 0.195 | S | C | . | . | trans | -57.5 | 148.8 | -178.5 | -67.3 | -175.1 | -72.6 | 167.1 | -0.3 | 112 | G591 Y592 N651 E676 | R589-G591 PolarHBondContact O-N 2.74Å; R589-Y592 HydrophobicContact CB-CD2 3.59Å; R589-Y592 HydrophobicContact CB-CE2 4.06Å; R589-Y592 HydrophobicContact CB-CG 4.24Å; R589-Y592 WeakPolarHBondContact O-CB 3.43Å; R589-Y592 PolarHBondContact O-N 2.82Å; R589-Y592 VanDerWaalsContact O-N 3.1Å; R589-N651 WeakPolarHBondContact O-CB 3.39Å; R589-E676 IonicContact CZ-OE1 3.69Å; R589-E676 IonicContact NE-OE1 3.65Å; R589-E676 PolarHBondContact NE-OE1 2.97Å; R589-E676 IonicContact NE-OE2 3.72Å; R589-E676 PolarHBondContact NE-OE2 3.14Å; R589-E676 IonicContact NH2-OE1 3.65Å; R589-E676 PolarHBondContact NH2-OE1 2.95Å | ||
| 590 | S | 91.1 | Very high | 93.5 | Very high | 113 Ų | 113 | 37.1 Ų | 37.1 | 79% | 0.79 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 135.7 | 176 | -170.7 | 0 | 0 | 0 | 0 | 110.7 | Y592 | S590-Y592 VanDerWaalsContact C-N 3.28Å; S590-Y592 PolarHBondContact O-N 3.12Å |
| 591 | G | 89.1 | Confident | 93.4 | Very high | 61 Ų | 61 | 37.5 Ų | 37.5 | 63% | 0.629 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | -3.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | R589 | R589-G591 PolarHBondContact O-N 2.74Š|
| 592 | Y | 92.9 | Very high | 93.4 | Very high | 43 Ų | 43 | 38.9 Ų | 38.9 | 17% | 0.169 | 21% | 0.21 | C | C | . | . | trans | -98.8 | 159.5 | 172.2 | -68.8 | -106.1 | 0 | 0 | 0 | 110.9 | R589 S590 K650 N651 E676 F677 K678 | R589-Y592 HydrophobicContact CB-CD2 3.59Å; R589-Y592 HydrophobicContact CB-CE2 4.06Å; R589-Y592 HydrophobicContact CB-CG 4.24Å; R589-Y592 WeakPolarHBondContact O-CB 3.43Å; R589-Y592 PolarHBondContact O-N 2.82Å; R589-Y592 VanDerWaalsContact O-N 3.1Å; S590-Y592 VanDerWaalsContact C-N 3.28Å; S590-Y592 PolarHBondContact O-N 3.12Å; Y592-K650 CarbonylContact O-C 3.56Å; Y592-N651 VanDerWaalsContact O-CA 3.28Å; Y592-N651 WeakPolarHBondContact O-CA 3.41Å; Y592-N651 WeakPolarHBondContact O-CB 3.38Å; Y592-N651 PolarHBondContact O-N 3.04Å; Y592-E676 HydrophobicContact CD1-CG 4.24Å; Y592-F677 WeakPolarHBondContact CA-O 3.43Å; Y592-K678 HydrophobicContact CD1-CB 3.98Å; Y592-K678 HydrophobicContact CE1-CB 3.91Å | ||
| 593 | R | 93.2 | Very high | 93.3 | Very high | 76 Ų | 76 | 38.9 Ų | 38.9 | 29% | 0.287 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 166.6 | 173.9 | -61.6 | 176 | 72.1 | -179.6 | 8.6 | 108.7 | V647 S648 E676 F677 | R593-V647 VanDerWaalsContact CZ-CG1 3.49Å; R593-V647 VanDerWaalsContact NH2-CG1 3.29Å; R593-S648 VanDerWaalsContact CZ-O 3.28Å; R593-S648 PolarHBondContact NE-O 3.49Å; R593-S648 PolarHBondContact NH2-O 3.09Å; R593-E676 CarbonylContact O-C 3.04Å; R593-E676 WeakPolarHBondContact O-CA 3.21Å; R593-F677 HydrophobicContact CB-CD1 4.12Å; R593-F677 HydrophobicContact CB-CE1 3.55Å; R593-F677 HydrophobicContact CB-CE2 4.26Å; R593-F677 HydrophobicContact CB-CZ 3.64Å; R593-F677 PolarHBondContact N-O 3.44Å; R593-F677 WeakPolarHBondContact O-CD1 3.48Å; R593-F677 PolarHBondContact O-N 3.16Å |
| 594 | I | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 123.1 | -176.3 | -53.7 | 171.1 | 0 | 0 | 0 | 106.6 | I586 V588 V647 S648 I653 W674 | I586-I594 HydrophobicContact CB-CD1 4.04Å; I586-I594 HydrophobicContact CG2-CD1 3.93Å; I586-I594 WeakPolarHBondContact O-CD1 3.44Å; V588-I594 HydrophobicContact CB-CG1 4.23Å; V588-I594 HydrophobicContact CG1-CD1 4Å; V588-I594 HydrophobicContact CG1-CG1 3.66Å; V588-I594 HydrophobicContact CG2-CD1 4.08Å; V588-I594 HydrophobicContact CG2-CG1 3.53Å; I594-V647 WeakPolarHBondContact O-CA 3.15Å; I594-S648 WeakPolarHBondContact CB-OG 3.49Å; I594-S648 PolarHBondContact N-OG 2.86Å; I594-S648 PolarHBondContact O-N 2.86Å; I594-I653 HydrophobicContact CB-CG2 4.36Å; I594-I653 HydrophobicContact CD1-CB 4.1Å; I594-I653 HydrophobicContact CD1-CG2 3.75Å; I594-I653 HydrophobicContact CG2-CG2 4.02Å; I594-W674 HydrophobicContact CG2-CB 4.19Å; I594-W674 HydrophobicContact CG2-CE3 4.15Å |
| 595 | L | 94.3 | Very high | 92.9 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 126 | 168 | 174 | 63.9 | 0 | 0 | 0 | 107 | Q597 Q645 V647 W674 T675 F677 I696 D709 | L595-Q597 HydrophobicContact CD1-CG 4.33Å; L595-Q597 HydrophobicContact CG-CG 4.43Å; L595-Q645 HydrophobicContact CD1-CB 4.06Å; L595-V647 HydrophobicContact CD1-CG2 4.09Å; L595-W674 CarbonylContact O-C 3.56Å; L595-W674 WeakPolarHBondContact O-CA 3.46Å; L595-T675 PolarHBondContact N-O 2.02Å; L595-T675 PolarHBondContact O-N 2.76Å; L595-F677 HydrophobicContact CB-CD1 3.69Å; L595-F677 HydrophobicContact CB-CE1 3.82Å; L595-I696 HydrophobicContact CD2-CD1 4.1Å; L595-D709 WeakPolarHBondContact CD2-O 3.19Å |
| 596 | L | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 128.7 | -178.5 | 175.8 | 77.5 | 0 | 0 | 0 | 109 | I623 Q645 F646 I653 I655 L672 S673 W674 | L596-I623 HydrophobicContact CD2-CD1 3.52Å; L596-I623 HydrophobicContact CD2-CG1 3.99Å; L596-I623 HydrophobicContact CD2-CG2 4.5Å; L596-Q645 CarbonylContact O-C 3.59Å; L596-Q645 WeakPolarHBondContact O-CA 3.3Å; L596-F646 HydrophobicContact CB-CB 4.28Å; L596-F646 HydrophobicContact CD2-CB 4.42Å; L596-F646 PolarHBondContact N-O 3.15Å; L596-F646 PolarHBondContact O-N 3.37Å; L596-I653 HydrophobicContact CD2-CD1 4.22Å; L596-I655 HydrophobicContact CD1-CD1 3.81Å; L596-I655 HydrophobicContact CD2-CD1 3.6Å; L596-I655 HydrophobicContact CD2-CG1 4.02Å; L596-I655 HydrophobicContact CG-CD1 4.4Å; L596-L672 HydrophobicContact CD1-CB 3.76Å; L596-L672 HydrophobicContact CD1-CD1 4.21Å; L596-L672 HydrophobicContact CD2-CD1 4.36Å; L596-S673 CarbonylContact C-O 3.58Å; L596-S673 WeakPolarHBondContact CA-O 3.31Å; L596-W674 HydrophobicContact CB-CB 4.47Å; L596-W674 HydrophobicContact CD1-CB 3.76Å |
| 597 | Q | 92.3 | Very high | 92 | Very high | 17 Ų | 17 | 44.1 Ų | 44.1 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 137.8 | -174.7 | -70.8 | 168.6 | -87.5 | 0 | 0 | 111 | L595 V599 Q645 L672 S673 M708 | L595-Q597 HydrophobicContact CD1-CG 4.33Å; L595-Q597 HydrophobicContact CG-CG 4.43Å; Q597-V599 PolarHBondContact O-N 2.89Å; Q597-Q645 HydrophobicContact CG-CB 3.76Å; Q597-L672 CarbonylContact O-C 3.6Å; Q597-L672 VanDerWaalsContact O-CA 3.28Å; Q597-L672 WeakPolarHBondContact O-CA 3.34Å; Q597-S673 PolarHBondContact N-O 2.84Å; Q597-S673 PolarHBondContact O-N 2.83Å; Q597-S673 PolarHBondContact O-OG 2.81Å; Q597-M708 PolarHBondContact OE1-O 2.81Å |
| 598 | P | 92.5 | Very high | 91.3 | Very high | 15 Ų | 15 | 42.3 Ų | 42.3 | 10% | 0.097 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 115.7 | 171.6 | 30.1 | -31.1 | 0 | 0 | 0 | 110.8 | V639 I643 R644 L672 | P598-V639 HydrophobicContact CB-CG2 4Å; P598-V639 HydrophobicContact CG-CB 4.41Å; P598-V639 HydrophobicContact CG-CG1 3.68Å; P598-V639 HydrophobicContact CG-CG2 3.78Å; P598-I643 WeakPolarHBondContact CG-O 3.26Å; P598-R644 WeakPolarHBondContact CD-O 3.49Å; P598-L672 HydrophobicContact CB-CD2 3.75Å |
| 599 | V | 90.8 | Very high | 90.4 | Very high | 72 Ų | 72 | 49.2 Ų | 49.2 | 44% | 0.436 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | -45.4 | 170.8 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | Q597 N671 S673 L707 | Q597-V599 PolarHBondContact O-N 2.89Å; V599-N671 PolarHBondContact N-O 2.97Å; V599-S673 WeakPolarHBondContact CG2-OG 3.47Å; V599-L707 HydrophobicContact CG2-CD2 4.11Å |
| 600 | V | 91.5 | Very high | 89.4 | Confident | 60 Ų | 60 | 49.8 Ų | 49.8 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 134.2 | 175.9 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | F572 F670 N671 | F572-V600 HydrophobicContact CE2-CB 4.3Å; F572-V600 HydrophobicContact CE2-CG1 4.05Å; F572-V600 HydrophobicContact CZ-CB 4.11Å; F572-V600 HydrophobicContact CZ-CG1 4.16Å; F572-V600 HydrophobicContact CZ-CG2 4.29Å; V600-F670 CarbonylContact O-C 3.46Å; V600-F670 WeakPolarHBondContact O-CA 3.34Å; V600-F670 WeakPolarHBondContact O-CB 3.28Å; V600-N671 HydrophobicContact CB-CB 4.39Å; V600-N671 PolarHBondContact N-O 2.88Å; V600-N671 VanDerWaalsContact N-O 3.13Å; V600-N671 PolarHBondContact O-N 2.98Å |
| 601 | L | 93 | Very high | 88.3 | Confident | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 114.7 | 176.4 | -172.2 | 70.8 | 0 | 0 | 0 | 109.6 | V603 I621 F634 G636 E637 V639 I643 F670 | L601-V603 HydrophobicContact CD1-CG2 4.2Å; L601-I621 HydrophobicContact CD1-CD1 3.87Å; L601-F634 HydrophobicContact CD1-CD2 4.02Å; L601-F634 HydrophobicContact CD1-CE2 3.96Å; L601-F634 HydrophobicContact CD2-CD2 4.35Å; L601-G636 CarbonylContact C-O 3.56Å; L601-G636 WeakPolarHBondContact CG-O 3.31Å; L601-E637 CarbonylContact O-C 3.49Å; L601-E637 VanDerWaalsContact O-C 3.22Å; L601-E637 WeakPolarHBondContact O-CA 3.44Å; L601-E637 VanDerWaalsContact O-O 3.1Å; L601-V639 HydrophobicContact CB-CG2 4Å; L601-V639 HydrophobicContact CD2-CG2 4.49Å; L601-I643 HydrophobicContact CD2-CD1 3.61Å; L601-F670 HydrophobicContact CD1-CB 4.2Å |
| 602 | N | 93.5 | Very high | 87.4 | Confident | 30 Ų | 30 | 49.2 Ų | 49.2 | 16% | 0.16 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 72.7 | 177.1 | -157.5 | -37.4 | 0 | 0 | 0 | 109.4 | G636 L667 K668 G669 | N602-G636 WeakPolarHBondContact CA-O 3.07Å; N602-L667 WeakPolarHBondContact O-CB 3.21Å; N602-L667 VanDerWaalsContact OD1-CB 3.31Å; N602-L667 WeakPolarHBondContact OD1-CB 3.25Å; N602-L667 VanDerWaalsContact OD1-CD1 3.26Å; N602-L667 WeakPolarHBondContact OD1-CD1 3.5Å; N602-K668 HydrophobicContact CB-CB 4.23Å; N602-G669 CarbonylContact C-O 3.49Å; N602-G669 VanDerWaalsContact CA-O 3.32Å; N602-G669 WeakPolarHBondContact CA-O 3.31Å; N602-G669 VanDerWaalsContact CB-O 3.28Å; N602-G669 WeakPolarHBondContact CB-O 3.31Å; N602-G669 PolarHBondContact N-O 2.79Å; N602-G669 VanDerWaalsContact O-CA 3.3Å; N602-G669 WeakPolarHBondContact O-CA 3.22Å; N602-G669 PolarHBondContact O-N 3.15Å |
| 603 | V | 93.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -119.9 | 135.1 | -176.5 | 177.9 | 0 | 0 | 0 | 0 | 109.2 | Y576 L601 G605 A619 I621 C635 G636 F657 F670 | Y576-V603 HydrophobicContact CE1-CG2 4.49Å; L601-V603 HydrophobicContact CD1-CG2 4.2Å; V603-G605 PolarHBondContact O-N 2.69Å; V603-A619 HydrophobicContact CG1-CB 3.61Å; V603-I621 HydrophobicContact CG2-CD1 4.03Å; V603-C635 HydrophobicContact CB-CB 4.37Å; V603-C635 HydrophobicContact CG1-CB 3.95Å; V603-G636 PolarHBondContact N-O 3.38Å; V603-G636 CarbonylContact O-C 3.58Å; V603-G636 WeakPolarHBondContact O-CA 3.03Å; V603-G636 PolarHBondContact O-N 3.07Å; V603-F657 HydrophobicContact CG1-CE2 3.96Å; V603-F657 HydrophobicContact CG2-CE2 4.34Å; V603-F670 HydrophobicContact CG2-CB 4.29Å; V603-F670 HydrophobicContact CG2-CD1 3.75Å; V603-F670 HydrophobicContact CG2-CG 4.47Å |
| 604 | E | 92.1 | Very high | 85 | Confident | 26 Ų | 26 | 46.1 Ų | 46.1 | 12% | 0.121 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -55.5 | 122.1 | -179.9 | -74.7 | -178 | -130.8 | 0 | 0 | 111.4 | Y576 S618 N665 G666 L667 | Y576-E604 WeakPolarHBondContact OH-CG 3.05Å; Y576-E604 PolarHBondContact OH-N 3.03Å; E604-S618 WeakPolarHBondContact OE2-CB 3.5Å; E604-S618 PolarHBondContact OE2-OG 3.08Å; E604-N665 PolarHBondContact OE1-N 3.39Å; E604-G666 PolarHBondContact OE1-N 3.46Å; E604-L667 HydrophobicContact CB-CD1 4.44Å; E604-L667 HydrophobicContact CG-CD1 3.88Å; E604-L667 HydrophobicContact CG-CG 3.75Å |
| 605 | G | 89.4 | Confident | 84.5 | Confident | 28 Ų | 28 | 49.4 Ų | 49.4 | 29% | 0.289 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 139.2 | -175.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V603 N615 G636 | V603-G605 PolarHBondContact O-N 2.69Å; G605-N615 CarbonylContact C-O 3.6Å; G605-N615 WeakPolarHBondContact CA-O 3.41Å; G605-G636 WeakPolarHBondContact O-CA 3.23Å |
| 606 | M | 86.7 | Confident | 84.3 | Confident | 128 Ų | 128 | 49.2 Ų | 49.2 | 63% | 0.631 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 147.9 | 179.8 | -64.6 | 179.3 | 68.3 | 0 | 0 | 110.8 | S614 N615 | M606-S614 PolarHBondContact O-N 3.45Å; M606-S614 PolarHBondContact O-OG 2.9Å; M606-N615 HydrophobicContact CB-CB 4.5Å; M606-N615 PolarHBondContact N-O 3.2Å; M606-N615 PolarHBondContact O-N 3Å |
| 607 | M | 84.9 | Confident | 84 | Confident | 25 Ų | 25 | 53.5 Ų | 53.5 | 12% | 0.123 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 143.5 | 176.9 | -69.3 | -71.6 | -60.9 | 0 | 0 | 109.6 | G611 S613 F634 C635 V640 I643 | M607-G611 WeakPolarHBondContact CE-O 3.29Å; M607-S613 VanDerWaalsContact SD-CA 3.55Å; M607-F634 HydrophobicContact CE-CB 3.96Å; M607-F634 HydrophobicContact SD-CB 3.91Å; M607-C635 WeakPolarHBondContact CG-O 3.26Å; M607-V640 HydrophobicContact CB-CG1 4.38Å; M607-V640 HydrophobicContact CB-CG2 3.97Å; M607-I643 HydrophobicContact CE-CG2 3.79Å |
| 608 | S | 80.5 | Confident | 84 | Confident | 52 Ų | 52 | 53.8 Ų | 53.8 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | trans | -71.6 | 156 | 166.3 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | D610 G611 R612 | S608-D610 PolarHBondContact O-N 3.21Å; S608-G611 PolarHBondContact O-N 3.44Å; S608-R612 PolarHBondContact N-O 3.31Å | ||
| 609 | E | 74.8 | Confident | 84.1 | Confident | 157 Ų | 157 | 53.1 Ų | 53.1 | 73% | 0.734 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -31.7 | 178 | -68.2 | -163.6 | 153.7 | 0 | 0 | 112.7 | G611 | E609-G611 PolarHBondContact O-N 3.45Å; E609-G611 VanDerWaalsContact O-N 3.12Å |
| 610 | D | 72.1 | Confident | 84.2 | Confident | 131 Ų | 131 | 49.7 Ų | 49.7 | 70% | 0.701 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -1.5 | 176.8 | -66.4 | -23.8 | 0 | 0 | 0 | 113.8 | S608 | S608-D610 PolarHBondContact O-N 3.21Š|
| 611 | G | 68 | Low | 84.4 | Confident | 18 Ų | 18 | 46.8 Ų | 46.8 | 19% | 0.186 | 25% | 0.245 | C | C | . | . | S | Bend | trans | 79.3 | 13.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | M607 S608 E609 | M607-G611 WeakPolarHBondContact CE-O 3.29Å; S608-G611 PolarHBondContact O-N 3.44Å; E609-G611 PolarHBondContact O-N 3.45Å; E609-G611 VanDerWaalsContact O-N 3.12Å |
| 612 | R | 70 | Confident | 84.3 | Confident | 144 Ų | 144 | 47.5 Ų | 47.5 | 54% | 0.543 | 25% | 0.247 | S | C | . | . | trans | -89.1 | 138.5 | 170.6 | -65.7 | 179.6 | -177.7 | -173.1 | -2 | 110.5 | S608 S614 | S608-R612 PolarHBondContact N-O 3.31Å; R612-S614 PolarHBondContact O-N 3.49Å | ||
| 613 | S | 67.5 | Low | 84.2 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 114.4 | 175.4 | 170.1 | 0 | 0 | 0 | 0 | 109.9 | M607 C616 | M607-S613 VanDerWaalsContact SD-CA 3.55Å; S613-C616 PolarHBondContact OG-SG 3.05Å |
| 614 | S | 69.8 | Low | 84 | Confident | 51 Ų | 51 | 51.1 Ų | 51.1 | 36% | 0.357 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -32.1 | 174.7 | 67.7 | 0 | 0 | 0 | 0 | 111.7 | M606 R612 | M606-S614 PolarHBondContact O-N 3.45Å; M606-S614 PolarHBondContact O-OG 2.9Å; R612-S614 PolarHBondContact O-N 3.49Å |
| 615 | N | 83.3 | Confident | 83.5 | Confident | 69 Ų | 69 | 51.4 Ų | 51.4 | 37% | 0.369 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 77.1 | 180 | -171.4 | 2.3 | 0 | 0 | 0 | 112.9 | G605 M606 R617 | G605-N615 CarbonylContact C-O 3.6Å; G605-N615 WeakPolarHBondContact CA-O 3.41Å; M606-N615 HydrophobicContact CB-CB 4.5Å; M606-N615 PolarHBondContact N-O 3.2Å; M606-N615 PolarHBondContact O-N 3Å; N615-R617 WeakPolarHBondContact OD1-CB 3.2Å |
| 616 | C | 89.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -98.1 | 46.1 | 174.1 | -58.6 | 0 | 0 | 0 | 0 | 113.2 | G508 S613 V620 C635 | G508-C616 WeakPolarHBondContact CA-O 3.24Å; S613-C616 PolarHBondContact OG-SG 3.05Å; C616-V620 HydrophobicContact CB-CB 4.16Å; C616-V620 HydrophobicContact CB-CG2 4.17Å; C616-C635 WeakPolarHBondContact CA-SG 3.27Å; C616-C635 HydrophobicContact CB-CB 3.77Å; C616-C635 WeakPolarHBondContact CB-SG 3.46Å; C616-C635 WeakPolarHBondContact SG-CB 3.29Å; C616-C635 PolarHBondContact SG-N 3.05Å; C616-C635 CovalentContact SG-SG 2.03Å; C616-C635 PolarHBondContact SG-SG 3.1Å | ||
| 617 | R | 89.4 | Confident | 81.6 | Confident | 89 Ų | 89 | 52.6 Ų | 52.6 | 34% | 0.336 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -65.4 | -45.8 | -171.7 | 177.4 | 173.7 | 177.6 | -158.1 | -0.7 | 114.8 | D466 Y506 N615 | D466-R617 PolarHBondContact O-NH2 2.87Å; Y506-R617 HydrophobicContact CD1-CB 3.89Å; Y506-R617 HydrophobicContact CD1-CG 4.46Å; Y506-R617 HydrophobicContact CE1-CB 3.47Å; Y506-R617 VanDerWaalsContact CE1-CB 3.47Å; Y506-R617 HydrophobicContact CE1-CG 3.56Å; Y506-R617 WeakPolarHBondContact OH-CD 3.05Å; N615-R617 WeakPolarHBondContact OD1-CB 3.2Å |
| 618 | S | 91.9 | Very high | 80.4 | Confident | 24 Ų | 24 | 53.7 Ų | 53.7 | 17% | 0.168 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -84.3 | -36.6 | -173.5 | -54.9 | 0 | 0 | 0 | 0 | 112.4 | E604 T659 H660 K663 V664 | E604-S618 WeakPolarHBondContact OE2-CB 3.5Å; E604-S618 PolarHBondContact OE2-OG 3.08Å; S618-T659 CarbonylContact O-C 3.58Å; S618-T659 WeakPolarHBondContact O-CA 3.45Å; S618-H660 WeakPolarHBondContact O-CB 3.4Å; S618-H660 PolarHBondContact O-N 3.4Å; S618-K663 WeakPolarHBondContact CB-O 3.33Å; S618-K663 PolarHBondContact OG-O 3.16Å; S618-V664 WeakPolarHBondContact O-CG2 3.29Å |
| 619 | A | 93.8 | Very high | 79.5 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 143.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y576 V603 F657 R658 T659 | Y576-A619 HydrophobicContact CE2-CB 4.03Å; V603-A619 HydrophobicContact CG1-CB 3.61Å; A619-F657 HydrophobicContact CB-CE2 3.96Å; A619-F657 HydrophobicContact CB-CZ 4.2Å; A619-R658 WeakPolarHBondContact CA-O 3.36Å; A619-T659 HydrophobicContact CB-CG2 4Å |
| 620 | V | 93.9 | Very high | 79.2 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 136.2 | -175.4 | 62.7 | 0 | 0 | 0 | 0 | 111.1 | C616 R622 E633 F657 R658 | C616-V620 HydrophobicContact CB-CB 4.16Å; C616-V620 HydrophobicContact CB-CG2 4.17Å; V620-R622 VanDerWaalsContact CG1-NH1 3.28Å; V620-R622 HydrophobicContact CG2-CG 4.11Å; V620-E633 HydrophobicContact CG2-CB 4.03Å; V620-F657 WeakPolarHBondContact O-CA 3.28Å; V620-F657 WeakPolarHBondContact O-CD2 3.41Å; V620-R658 HydrophobicContact CG1-CB 4.1Å; V620-R658 PolarHBondContact N-O 2.88Å; V620-R658 PolarHBondContact O-N 2.84Å |
| 621 | I | 94.2 | Very high | 79.4 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130.8 | 167.6 | -53.9 | 165.6 | 0 | 0 | 0 | 107.8 | L601 V603 E633 F634 I655 S656 F657 F670 | L601-I621 HydrophobicContact CD1-CD1 3.87Å; V603-I621 HydrophobicContact CG2-CD1 4.03Å; I621-E633 WeakPolarHBondContact O-CA 3.41Å; I621-F634 HydrophobicContact CB-CD1 4.21Å; I621-F634 HydrophobicContact CB-CD2 4.37Å; I621-F634 HydrophobicContact CB-CE1 3.77Å; I621-F634 HydrophobicContact CB-CE2 4Å; I621-F634 HydrophobicContact CB-CG 4.47Å; I621-F634 HydrophobicContact CB-CZ 3.68Å; I621-F634 HydrophobicContact CD1-CD2 4.12Å; I621-F634 HydrophobicContact CD1-CE2 3.53Å; I621-F634 HydrophobicContact CD1-CZ 3.92Å; I621-F634 HydrophobicContact CG1-CE2 4.37Å; I621-F634 HydrophobicContact CG1-CZ 4.43Å; I621-F634 HydrophobicContact CG2-CD1 4.4Å; I621-F634 HydrophobicContact CG2-CE1 3.51Å; I621-F634 HydrophobicContact CG2-CE2 4.1Å; I621-F634 HydrophobicContact CG2-CZ 3.35Å; I621-F634 PolarHBondContact N-O 2.84Å; I621-F634 PolarHBondContact O-N 2.91Å; I621-I655 HydrophobicContact CG2-CG2 4.08Å; I621-S656 CarbonylContact C-O 3.54Å; I621-S656 VanDerWaalsContact CA-O 3.31Å; I621-S656 WeakPolarHBondContact CA-O 3.35Å; I621-F657 HydrophobicContact CG1-CD2 3.7Å; I621-F657 HydrophobicContact CG1-CE2 4.24Å; I621-F670 HydrophobicContact CD1-CB 4.28Å; I621-F670 HydrophobicContact CD1-CD1 3.5Å; I621-F670 HydrophobicContact CD1-CD2 4.21Å; I621-F670 HydrophobicContact CD1-CE1 3.77Å; I621-F670 HydrophobicContact CD1-CE2 4.43Å; I621-F670 HydrophobicContact CD1-CG 3.73Å; I621-F670 HydrophobicContact CD1-CZ 4.22Å; I621-F670 HydrophobicContact CG1-CD1 4.07Å; I621-F670 HydrophobicContact CG1-CE1 3.85Å; I621-F670 HydrophobicContact CG1-CZ 4.28Å |
| 622 | R | 91.9 | Very high | 80.2 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 9% | 0.087 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 131.8 | 174.6 | -55.7 | -172.7 | 168.6 | 86.1 | 4.7 | 111.4 | G508 P509 V620 N632 E633 I655 S656 | G508-R622 PolarHBondContact O-NH2 2.87Å; P509-R622 PolarHBondContact O-NH1 3.05Å; V620-R622 VanDerWaalsContact CG1-NH1 3.28Å; V620-R622 HydrophobicContact CG2-CG 4.11Å; R622-N632 CarbonylContact C-O 3.5Å; R622-N632 VanDerWaalsContact CA-O 3.3Å; R622-N632 WeakPolarHBondContact CA-O 3.39Å; R622-E633 HydrophobicContact CG-CG 4.03Å; R622-E633 IonicContact CZ-OE1 3.1Å; R622-E633 VanDerWaalsContact NE-CD 3.3Å; R622-E633 IonicContact NE-OE1 3.94Å; R622-E633 PolarHBondContact NE-OE1 3.24Å; R622-E633 IonicContact NE-OE2 3.43Å; R622-E633 IonicContact NH2-OE1 3.37Å; R622-E633 PolarHBondContact NH2-OE1 2.84Å; R622-E633 IonicContact NH2-OE2 2.67Å; R622-I655 CarbonylContact O-C 3.56Å; R622-I655 WeakPolarHBondContact O-CA 3.46Å; R622-S656 PolarHBondContact N-O 2.8Å; R622-S656 PolarHBondContact O-N 2.77Å |
| 623 | I | 91.8 | Very high | 81 | Confident | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 126.4 | 174.6 | -64 | 163.1 | 0 | 0 | 0 | 109.1 | L596 S631 N632 F634 F646 I653 Y654 I655 | L596-I623 HydrophobicContact CD2-CD1 3.52Å; L596-I623 HydrophobicContact CD2-CG1 3.99Å; L596-I623 HydrophobicContact CD2-CG2 4.5Å; I623-S631 CarbonylContact O-C 3.44Å; I623-S631 VanDerWaalsContact O-CA 3.24Å; I623-S631 WeakPolarHBondContact O-CA 3.26Å; I623-N632 PolarHBondContact N-O 3.44Å; I623-N632 PolarHBondContact O-N 3.23Å; I623-F634 HydrophobicContact CD1-CD1 4.39Å; I623-F634 HydrophobicContact CD1-CE1 3.33Å; I623-F634 HydrophobicContact CD1-CZ 3.75Å; I623-F634 HydrophobicContact CG1-CE1 3.81Å; I623-F634 HydrophobicContact CG1-CZ 4.41Å; I623-F646 HydrophobicContact CD1-CB 4.06Å; I623-F646 HydrophobicContact CD1-CD1 3.81Å; I623-F646 HydrophobicContact CD1-CD2 3.27Å; I623-F646 HydrophobicContact CD1-CE1 4.01Å; I623-F646 HydrophobicContact CD1-CE2 3.5Å; I623-F646 HydrophobicContact CD1-CG 3.42Å; I623-F646 VanDerWaalsContact CD1-CG 3.42Å; I623-F646 HydrophobicContact CD1-CZ 3.86Å; I623-F646 HydrophobicContact CG2-CB 4.48Å; I623-I653 HydrophobicContact CG2-CD1 3.55Å; I623-I653 HydrophobicContact CG2-CG1 3.75Å; I623-Y654 CarbonylContact C-O 3.58Å; I623-Y654 WeakPolarHBondContact CA-O 3.41Å; I623-I655 HydrophobicContact CG1-CG1 4.37Å; I623-I655 HydrophobicContact CG1-CG2 4.47Å |
| 624 | R | 87.7 | Confident | 82.1 | Confident | 100 Ų | 100 | 43.9 Ų | 43.9 | 38% | 0.377 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 132.8 | -178.7 | -173.1 | 179 | 65.6 | 82 | 0 | 111.5 | Y654 | R624-Y654 PolarHBondContact N-O 2.94Å; R624-Y654 VanDerWaalsContact NH2-CD2 3.29Å; R624-Y654 PolarHBondContact O-N 2.9Å; R624-Y654 VanDerWaalsContact O-N 3.1Å |
| 625 | N | 83.2 | Confident | 83.1 | Confident | 31 Ų | 31 | 41.5 Ų | 41.5 | 17% | 0.166 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 153.5 | 168.4 | -83.6 | -27.5 | 0 | 0 | 0 | 110.9 | S627 S628 V647 S648 A649 | N625-S627 PolarHBondContact O-N 2.92Å; N625-S628 VanDerWaalsContact O-O 3.12Å; N625-V647 PolarHBondContact ND2-O 3.37Å; N625-S648 VanDerWaalsContact OD1-CA 3.23Å; N625-S648 WeakPolarHBondContact OD1-CA 3.24Å; N625-A649 HydrophobicContact CB-CB 4.25Å; N625-A649 PolarHBondContact OD1-N 2.89Å |
| 626 | E | 72 | Confident | 83.5 | Confident | 98 Ų | 98 | 38.4 Ų | 38.4 | 46% | 0.458 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -63.1 | -32.9 | 176.4 | -166.1 | -173.4 | -143.6 | 0 | 0 | 111.9 | K650 | E626-K650 VanDerWaalsContact OE2-CD 3.25Å; E626-K650 WeakPolarHBondContact OE2-CD 3.47Å; E626-K650 WeakPolarHBondContact OE2-CE 3.34Å; E626-K650 IonicContact OE2-NZ 3.81Å; E626-K650 PolarHBondContact OE2-NZ 3.45Å |
| 627 | S | 64.2 | Low | 83.5 | Confident | 83 Ų | 83 | 44.7 Ų | 44.7 | 58% | 0.58 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -83.8 | -27.2 | -173.2 | -42.6 | 0 | 0 | 0 | 0 | 114.3 | N625 A649 | N625-S627 PolarHBondContact O-N 2.92Å; S627-A649 VanDerWaalsContact OG-CB 3.27Å; S627-A649 WeakPolarHBondContact OG-CB 3.38Å |
| 628 | S | 59.4 | Low | 83.3 | Confident | 48 Ų | 48 | 48.6 Ų | 48.6 | 34% | 0.336 | 26% | 0.259 | S | S | . | . | trans | -104.3 | 123.5 | -179.6 | 62.1 | 0 | 0 | 0 | 0 | 109.6 | N625 H630 | N625-S628 VanDerWaalsContact O-O 3.12Å; S628-H630 PolarHBondContact O-N 3.18Å; S628-H630 PolarHBondContact OG-O 3.08Å; S628-H630 VanDerWaalsContact OG-O 3.08Å | ||
| 629 | G | 62.3 | Low | 83 | Confident | 61 Ų | 61 | 50 Ų | 50 | 63% | 0.629 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -62.8 | -17.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 630 | H | 67.2 | Low | 82.5 | Confident | 120 Ų | 120 | 51.1 Ų | 51.1 | 56% | 0.556 | 27% | 0.274 | S | S | * | . | P | Polyproline II helix | trans | -86 | 135.3 | 178.4 | -162.6 | 69.7 | 0 | 0 | 0 | 111.8 | S628 | S628-H630 PolarHBondContact O-N 3.18Å; S628-H630 PolarHBondContact OG-O 3.08Å; S628-H630 VanDerWaalsContact OG-O 3.08Å |
| 631 | S | 76.4 | Confident | 81.9 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 12% | 0.119 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 135.1 | 170.5 | 54.4 | 0 | 0 | 0 | 0 | 110.7 | I623 | I623-S631 CarbonylContact O-C 3.44Å; I623-S631 VanDerWaalsContact O-CA 3.24Å; I623-S631 WeakPolarHBondContact O-CA 3.26Å |
| 632 | N | 84.5 | Confident | 81 | Confident | 77 Ų | 77 | 56.8 Ų | 56.8 | 41% | 0.412 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 127.8 | 169.5 | -65.2 | -25.1 | 0 | 0 | 0 | 108.8 | R622 I623 F646 | R622-N632 CarbonylContact C-O 3.5Å; R622-N632 VanDerWaalsContact CA-O 3.3Å; R622-N632 WeakPolarHBondContact CA-O 3.39Å; I623-N632 PolarHBondContact N-O 3.44Å; I623-N632 PolarHBondContact O-N 3.23Å; N632-F646 HydrophobicContact CB-CD1 4.37Å; N632-F646 HydrophobicContact CB-CE1 3.89Å |
| 633 | E | 87.8 | Confident | 80.6 | Confident | 25 Ų | 25 | 55.9 Ų | 55.9 | 12% | 0.117 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 135.5 | -179.9 | -48.1 | -161.4 | 164.3 | 0 | 0 | 110.4 | Y501 V620 I621 R622 | Y501-E633 PolarHBondContact OH-OE1 2.94Å; V620-E633 HydrophobicContact CG2-CB 4.03Å; I621-E633 WeakPolarHBondContact O-CA 3.41Å; R622-E633 HydrophobicContact CG-CG 4.03Å; R622-E633 IonicContact CZ-OE1 3.1Å; R622-E633 VanDerWaalsContact NE-CD 3.3Å; R622-E633 IonicContact NE-OE1 3.94Å; R622-E633 PolarHBondContact NE-OE1 3.24Å; R622-E633 IonicContact NE-OE2 3.43Å; R622-E633 IonicContact NH2-OE1 3.37Å; R622-E633 PolarHBondContact NH2-OE1 2.84Å; R622-E633 IonicContact NH2-OE2 2.67Å |
| 634 | F | 89.5 | Confident | 80.4 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 155.8 | 177.3 | 63.4 | -75.2 | 0 | 0 | 0 | 113.7 | L601 M607 I621 I623 I643 F646 | L601-F634 HydrophobicContact CD1-CD2 4.02Å; L601-F634 HydrophobicContact CD1-CE2 3.96Å; L601-F634 HydrophobicContact CD2-CD2 4.35Å; M607-F634 HydrophobicContact CE-CB 3.96Å; M607-F634 HydrophobicContact SD-CB 3.91Å; I621-F634 HydrophobicContact CB-CD1 4.21Å; I621-F634 HydrophobicContact CB-CD2 4.37Å; I621-F634 HydrophobicContact CB-CE1 3.77Å; I621-F634 HydrophobicContact CB-CE2 4Å; I621-F634 HydrophobicContact CB-CG 4.47Å; I621-F634 HydrophobicContact CB-CZ 3.68Å; I621-F634 HydrophobicContact CD1-CD2 4.12Å; I621-F634 HydrophobicContact CD1-CE2 3.53Å; I621-F634 HydrophobicContact CD1-CZ 3.92Å; I621-F634 HydrophobicContact CG1-CE2 4.37Å; I621-F634 HydrophobicContact CG1-CZ 4.43Å; I621-F634 HydrophobicContact CG2-CD1 4.4Å; I621-F634 HydrophobicContact CG2-CE1 3.51Å; I621-F634 HydrophobicContact CG2-CE2 4.1Å; I621-F634 HydrophobicContact CG2-CZ 3.35Å; I621-F634 PolarHBondContact N-O 2.84Å; I621-F634 PolarHBondContact O-N 2.91Å; I623-F634 HydrophobicContact CD1-CD1 4.39Å; I623-F634 HydrophobicContact CD1-CE1 3.33Å; I623-F634 HydrophobicContact CD1-CZ 3.75Å; I623-F634 HydrophobicContact CG1-CE1 3.81Å; I623-F634 HydrophobicContact CG1-CZ 4.41Å; F634-I643 HydrophobicContact CB-CD1 4.29Å; F634-I643 HydrophobicContact CB-CG2 3.89Å; F634-I643 HydrophobicContact CD2-CD1 4.26Å; F634-I643 HydrophobicContact CG-CG2 4.39Å; F634-F646 HydrophobicContact CD1-CE2 4.4Å; F634-F646 AromaticContact CD1-CZ 3.89Å; F634-F646 HydrophobicContact CD1-CZ 3.89Å; F634-F646 HydrophobicContact CE1-CE2 4.01Å; F634-F646 AromaticContact CE1-CZ 3.9Å; F634-F646 HydrophobicContact CE1-CZ 3.9Å; F634-F646 HydrophobicContact CG-CZ 4.41Å; F634-F646 HydrophobicContact CZ-CE2 4.08Å; F634-F646 HydrophobicContact CZ-CZ 4.38Å |
| 635 | C | 91.7 | Very high | 80.5 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | trans | -155.3 | -175.8 | 177.1 | 59.8 | 0 | 0 | 0 | 0 | 109 | V603 M607 C616 | V603-C635 HydrophobicContact CB-CB 4.37Å; V603-C635 HydrophobicContact CG1-CB 3.95Å; M607-C635 WeakPolarHBondContact CG-O 3.26Å; C616-C635 WeakPolarHBondContact CA-SG 3.27Å; C616-C635 HydrophobicContact CB-CB 3.77Å; C616-C635 WeakPolarHBondContact CB-SG 3.46Å; C616-C635 WeakPolarHBondContact SG-CB 3.29Å; C616-C635 PolarHBondContact SG-N 3.05Å; C616-C635 CovalentContact SG-SG 2.03Å; C616-C635 PolarHBondContact SG-SG 3.1Å | ||
| 636 | G | 91 | Very high | 80.8 | Confident | 5 Ų | 5 | 58.9 Ų | 58.9 | 5% | 0.052 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | 115.2 | 176.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L601 N602 V603 G605 | L601-G636 CarbonylContact C-O 3.56Å; L601-G636 WeakPolarHBondContact CG-O 3.31Å; N602-G636 WeakPolarHBondContact CA-O 3.07Å; V603-G636 PolarHBondContact N-O 3.38Å; V603-G636 CarbonylContact O-C 3.58Å; V603-G636 WeakPolarHBondContact O-CA 3.03Å; V603-G636 PolarHBondContact O-N 3.07Å; G605-G636 WeakPolarHBondContact O-CA 3.23Å |
| 637 | E | 89.9 | Confident | 81.7 | Confident | 132 Ų | 132 | 56.2 Ų | 56.2 | 62% | 0.617 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -100.9 | -6.9 | 179.4 | -64.5 | -173.3 | -133.5 | 0 | 0 | 113.6 | L601 L667 | L601-E637 CarbonylContact O-C 3.49Å; L601-E637 VanDerWaalsContact O-C 3.22Å; L601-E637 WeakPolarHBondContact O-CA 3.44Å; L601-E637 VanDerWaalsContact O-O 3.1Å; E637-L667 HydrophobicContact CG-CD1 4.19Å |
| 638 | K | 84.9 | Confident | 83 | Confident | 171 Ų | 171 | 52.3 Ų | 52.3 | 74% | 0.743 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -133 | 137.5 | -177.9 | -67.7 | -177.4 | -178.7 | 178.8 | 0 | 110.1 | V640 | K638-V640 PolarHBondContact O-N 2.5Š|
| 639 | V | 84.8 | Confident | 84.4 | Confident | 52 Ų | 52 | 51.9 Ų | 51.9 | 32% | 0.315 | 29% | 0.289 | S | S | . | . | trans | -75 | 104.9 | 171.6 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | P598 L601 I643 R644 | P598-V639 HydrophobicContact CB-CG2 4Å; P598-V639 HydrophobicContact CG-CB 4.41Å; P598-V639 HydrophobicContact CG-CG1 3.68Å; P598-V639 HydrophobicContact CG-CG2 3.78Å; L601-V639 HydrophobicContact CB-CG2 4Å; L601-V639 HydrophobicContact CD2-CG2 4.49Å; V639-I643 HydrophobicContact CG1-CG1 4.11Å; V639-R644 HydrophobicContact CG1-CB 4.49Å; V639-R644 HydrophobicContact CG1-CG 3.89Å | ||
| 640 | V | 84.4 | Confident | 85.8 | Confident | 25 Ų | 25 | 54.1 Ų | 54.1 | 15% | 0.152 | 28% | 0.282 | C | S | . | . | trans | -79.8 | 157.8 | 174.9 | -62.5 | 0 | 0 | 0 | 0 | 110.9 | M607 K638 G642 I643 | M607-V640 HydrophobicContact CB-CG1 4.38Å; M607-V640 HydrophobicContact CB-CG2 3.97Å; K638-V640 PolarHBondContact O-N 2.5Å; V640-G642 VanDerWaalsContact C-N 3.26Å; V640-G642 PolarHBondContact O-N 3.47Å; V640-G642 VanDerWaalsContact O-N 3.15Å; V640-I643 HydrophobicContact CG2-CD1 3.84Å; V640-I643 HydrophobicContact CG2-CG1 3.64Å; V640-I643 HydrophobicContact CG2-CG2 4.35Å; V640-I643 VanDerWaalsContact O-CG1 3.31Å; V640-I643 WeakPolarHBondContact O-CG1 3.4Å; V640-I643 PolarHBondContact O-N 3.36Å | ||
| 641 | P | 80.5 | Confident | 87 | Confident | 75 Ų | 75 | 50.5 Ų | 50.5 | 49% | 0.487 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -49.2 | -42.4 | -177.4 | -29.9 | 36.9 | 0 | 0 | 0 | 114.6 | I643 R644 | P641-I643 PolarHBondContact O-N 3.08Å; P641-I643 VanDerWaalsContact O-N 3.14Å; P641-R644 PolarHBondContact O-N 3.06Å |
| 642 | G | 76.2 | Confident | 87.8 | Confident | 44 Ų | 44 | 49.9 Ų | 49.9 | 45% | 0.454 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -70.6 | -4.2 | -179 | 0 | 0 | 0 | 0 | 0 | 116.5 | V640 | V640-G642 VanDerWaalsContact C-N 3.26Å; V640-G642 PolarHBondContact O-N 3.47Å; V640-G642 VanDerWaalsContact O-N 3.15Å |
| 643 | I | 84 | Confident | 88.2 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -125.5 | 17.5 | 179.8 | 65.5 | 175.5 | 0 | 0 | 0 | 113.8 | P598 L601 M607 F634 V639 V640 P641 Q645 F646 | P598-I643 WeakPolarHBondContact CG-O 3.26Å; L601-I643 HydrophobicContact CD2-CD1 3.61Å; M607-I643 HydrophobicContact CE-CG2 3.79Å; F634-I643 HydrophobicContact CB-CD1 4.29Å; F634-I643 HydrophobicContact CB-CG2 3.89Å; F634-I643 HydrophobicContact CD2-CD1 4.26Å; F634-I643 HydrophobicContact CG-CG2 4.39Å; V639-I643 HydrophobicContact CG1-CG1 4.11Å; V640-I643 HydrophobicContact CG2-CD1 3.84Å; V640-I643 HydrophobicContact CG2-CG1 3.64Å; V640-I643 HydrophobicContact CG2-CG2 4.35Å; V640-I643 VanDerWaalsContact O-CG1 3.31Å; V640-I643 WeakPolarHBondContact O-CG1 3.4Å; V640-I643 PolarHBondContact O-N 3.36Å; P641-I643 PolarHBondContact O-N 3.08Å; P641-I643 VanDerWaalsContact O-N 3.14Å; I643-Q645 PolarHBondContact O-N 3.47Å; I643-F646 HydrophobicContact CB-CE2 4.37Å; I643-F646 HydrophobicContact CB-CZ 3.9Å; I643-F646 HydrophobicContact CG2-CZ 4.1Å |
| 644 | R | 86.8 | Confident | 88.5 | Confident | 112 Ų | 112 | 47.6 Ų | 47.6 | 42% | 0.423 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -70.1 | -29.8 | -175.8 | -73.7 | 178.7 | 176.5 | -173.2 | 2.2 | 114.3 | P598 V639 P641 E712 | P598-R644 WeakPolarHBondContact CD-O 3.49Å; V639-R644 HydrophobicContact CG1-CB 4.49Å; V639-R644 HydrophobicContact CG1-CG 3.89Å; P641-R644 PolarHBondContact O-N 3.06Å; R644-E712 HydrophobicContact CB-CG 4.23Å; R644-E712 WeakPolarHBondContact CB-OE2 3.23Å; R644-E712 WeakPolarHBondContact CD-OE1 3.3Å; R644-E712 IonicContact CZ-OE1 3.43Å; R644-E712 IonicContact NE-OE1 3.27Å; R644-E712 IonicContact NH1-OE1 2.74Å; R644-E712 PolarHBondContact NH1-OE1 3.25Å |
| 645 | Q | 89.9 | Confident | 88.7 | Confident | 74 Ų | 74 | 47.8 Ų | 47.8 | 35% | 0.346 | 25% | 0.248 | S | C | . | . | trans | -154 | 150 | 176.6 | 63.1 | 175.9 | 26.6 | 0 | 0 | 111.5 | L595 L596 Q597 I643 E712 | L595-Q645 HydrophobicContact CD1-CB 4.06Å; L596-Q645 CarbonylContact O-C 3.59Å; L596-Q645 WeakPolarHBondContact O-CA 3.3Å; Q597-Q645 HydrophobicContact CG-CB 3.76Å; I643-Q645 PolarHBondContact O-N 3.47Å; Q645-E712 HydrophobicContact CG-CB 4.27Å; Q645-E712 VanDerWaalsContact OE1-CB 3.26Å | ||
| 646 | F | 90.3 | Very high | 88.8 | Confident | 14 Ų | 14 | 48.8 Ų | 48.8 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 132.7 | 175.2 | -58.3 | -84.1 | 0 | 0 | 0 | 109.2 | L596 I623 N632 F634 I643 | L596-F646 HydrophobicContact CB-CB 4.28Å; L596-F646 HydrophobicContact CD2-CB 4.42Å; L596-F646 PolarHBondContact N-O 3.15Å; L596-F646 PolarHBondContact O-N 3.37Å; I623-F646 HydrophobicContact CD1-CB 4.06Å; I623-F646 HydrophobicContact CD1-CD1 3.81Å; I623-F646 HydrophobicContact CD1-CD2 3.27Å; I623-F646 HydrophobicContact CD1-CE1 4.01Å; I623-F646 HydrophobicContact CD1-CE2 3.5Å; I623-F646 HydrophobicContact CD1-CG 3.42Å; I623-F646 VanDerWaalsContact CD1-CG 3.42Å; I623-F646 HydrophobicContact CD1-CZ 3.86Å; I623-F646 HydrophobicContact CG2-CB 4.48Å; N632-F646 HydrophobicContact CB-CD1 4.37Å; N632-F646 HydrophobicContact CB-CE1 3.89Å; F634-F646 HydrophobicContact CD1-CE2 4.4Å; F634-F646 AromaticContact CD1-CZ 3.89Å; F634-F646 HydrophobicContact CD1-CZ 3.89Å; F634-F646 HydrophobicContact CE1-CE2 4.01Å; F634-F646 AromaticContact CE1-CZ 3.9Å; F634-F646 HydrophobicContact CE1-CZ 3.9Å; F634-F646 HydrophobicContact CG-CZ 4.41Å; F634-F646 HydrophobicContact CZ-CE2 4.08Å; F634-F646 HydrophobicContact CZ-CZ 4.38Å; I643-F646 HydrophobicContact CB-CE2 4.37Å; I643-F646 HydrophobicContact CB-CZ 3.9Å; I643-F646 HydrophobicContact CG2-CZ 4.1Å |
| 647 | V | 90.7 | Very high | 89.1 | Confident | 43 Ų | 43 | 48.5 Ų | 48.5 | 26% | 0.261 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.7 | -177.8 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | R593 I594 L595 N625 F677 | R593-V647 VanDerWaalsContact CZ-CG1 3.49Å; R593-V647 VanDerWaalsContact NH2-CG1 3.29Å; I594-V647 WeakPolarHBondContact O-CA 3.15Å; L595-V647 HydrophobicContact CD1-CG2 4.09Å; N625-V647 PolarHBondContact ND2-O 3.37Å; V647-F677 HydrophobicContact CG1-CE1 3.83Å; V647-F677 HydrophobicContact CG1-CZ 3.51Å |
| 648 | S | 92 | Very high | 89.3 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -68.3 | 147.5 | 176.2 | 69.5 | 0 | 0 | 0 | 0 | 111.8 | R593 I594 N625 K650 | R593-S648 VanDerWaalsContact CZ-O 3.28Å; R593-S648 PolarHBondContact NE-O 3.49Å; R593-S648 PolarHBondContact NH2-O 3.09Å; I594-S648 WeakPolarHBondContact CB-OG 3.49Å; I594-S648 PolarHBondContact N-OG 2.86Å; I594-S648 PolarHBondContact O-N 2.86Å; N625-S648 VanDerWaalsContact OD1-CA 3.23Å; N625-S648 WeakPolarHBondContact OD1-CA 3.24Å; S648-K650 WeakPolarHBondContact CB-O 3.29Å; S648-K650 PolarHBondContact OG-O 2.93Å | ||
| 649 | A | 88.7 | Confident | 89.8 | Confident | 39 Ų | 39 | 34.4 Ų | 34.4 | 32% | 0.322 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -71.5 | -34.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N625 S627 | N625-A649 HydrophobicContact CB-CB 4.25Å; N625-A649 PolarHBondContact OD1-N 2.89Å; S627-A649 VanDerWaalsContact OG-CB 3.27Å; S627-A649 WeakPolarHBondContact OG-CB 3.38Å |
| 650 | K | 90.1 | Very high | 90.3 | Very high | 108 Ų | 108 | 32 Ų | 32 | 47% | 0.47 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -133.1 | -152 | 179.3 | -64.4 | -179.6 | -173.6 | 168.3 | 0 | 109.6 | Y592 E626 S648 V652 | Y592-K650 CarbonylContact O-C 3.56Å; E626-K650 VanDerWaalsContact OE2-CD 3.25Å; E626-K650 WeakPolarHBondContact OE2-CD 3.47Å; E626-K650 WeakPolarHBondContact OE2-CE 3.34Å; E626-K650 IonicContact OE2-NZ 3.81Å; E626-K650 PolarHBondContact OE2-NZ 3.45Å; S648-K650 WeakPolarHBondContact CB-O 3.29Å; S648-K650 PolarHBondContact OG-O 2.93Å; K650-V652 VanDerWaalsContact C-N 3.26Å; K650-V652 PolarHBondContact O-N 3.19Å |
| 651 | N | 92.8 | Very high | 90.6 | Very high | 45 Ų | 45 | 31.8 Ų | 31.8 | 24% | 0.241 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -84.6 | 17.2 | -179.4 | 71.2 | -50.4 | 0 | 0 | 0 | 114.8 | R587 V588 R589 Y592 | R587-N651 WeakPolarHBondContact CA-O 3.22Å; V588-N651 HydrophobicContact CG2-CB 3.87Å; V588-N651 PolarHBondContact N-O 2.57Å; V588-N651 PolarHBondContact O-ND2 2.85Å; V588-N651 VanDerWaalsContact O-ND2 3.07Å; R589-N651 WeakPolarHBondContact O-CB 3.39Å; Y592-N651 VanDerWaalsContact O-CA 3.28Å; Y592-N651 WeakPolarHBondContact O-CA 3.41Å; Y592-N651 WeakPolarHBondContact O-CB 3.38Å; Y592-N651 PolarHBondContact O-N 3.04Å |
| 652 | V | 93.2 | Very high | 91.1 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.024 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 138.7 | -178.1 | -173.3 | 0 | 0 | 0 | 0 | 111 | E585 I586 R587 K650 Y654 | E585-V652 HydrophobicContact CG-CG1 4.35Å; I586-V652 VanDerWaalsContact O-CA 3.32Å; I586-V652 WeakPolarHBondContact O-CA 3.17Å; R587-V652 HydrophobicContact CB-CG2 4.35Å; R587-V652 HydrophobicContact CG-CB 4.5Å; R587-V652 HydrophobicContact CG-CG1 4.1Å; R587-V652 HydrophobicContact CG-CG2 3.83Å; K650-V652 VanDerWaalsContact C-N 3.26Å; K650-V652 PolarHBondContact O-N 3.19Å; V652-Y654 HydrophobicContact CG1-CD2 4.37Å; V652-Y654 HydrophobicContact CG1-CE1 4.43Å; V652-Y654 HydrophobicContact CG1-CE2 3.74Å |
| 653 | I | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 143.4 | 170.4 | -158.6 | 168 | 0 | 0 | 0 | 109.7 | I586 I594 L596 I623 | I586-I653 HydrophobicContact CB-CG2 3.95Å; I586-I653 HydrophobicContact CD1-CG2 3.91Å; I586-I653 HydrophobicContact CG1-CG2 4.15Å; I586-I653 PolarHBondContact N-O 2.73Å; I586-I653 VanDerWaalsContact N-O 3.08Å; I586-I653 PolarHBondContact O-N 2.74Å; I586-I653 VanDerWaalsContact O-N 3.14Å; I594-I653 HydrophobicContact CB-CG2 4.36Å; I594-I653 HydrophobicContact CD1-CB 4.1Å; I594-I653 HydrophobicContact CD1-CG2 3.75Å; I594-I653 HydrophobicContact CG2-CG2 4.02Å; L596-I653 HydrophobicContact CD2-CD1 4.22Å; I623-I653 HydrophobicContact CG2-CD1 3.55Å; I623-I653 HydrophobicContact CG2-CG1 3.75Å |
| 654 | Y | 93.1 | Very high | 91.7 | Very high | 54 Ų | 54 | 36.2 Ų | 36.2 | 21% | 0.212 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 130.7 | 177.6 | -61.2 | -86.3 | 0 | 0 | 0 | 109.5 | W584 E585 I623 R624 V652 | W584-Y654 WeakPolarHBondContact O-CA 2.92Å; E585-Y654 HydrophobicContact CB-CD1 4.13Å; E585-Y654 HydrophobicContact CB-CE1 4.14Å; E585-Y654 HydrophobicContact CG-CD1 4.04Å; E585-Y654 HydrophobicContact CG-CE1 3.62Å; I623-Y654 CarbonylContact C-O 3.58Å; I623-Y654 WeakPolarHBondContact CA-O 3.41Å; R624-Y654 PolarHBondContact N-O 2.94Å; R624-Y654 VanDerWaalsContact NH2-CD2 3.29Å; R624-Y654 PolarHBondContact O-N 2.9Å; R624-Y654 VanDerWaalsContact O-N 3.1Å; V652-Y654 HydrophobicContact CG1-CD2 4.37Å; V652-Y654 HydrophobicContact CG1-CE1 4.43Å; V652-Y654 HydrophobicContact CG1-CE2 3.74Å |
| 655 | I | 94.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.015 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 134.7 | 179 | -51.5 | 166.5 | 0 | 0 | 0 | 107.3 | I567 W584 I586 L596 I621 R622 I623 L672 | I567-I655 HydrophobicContact CD1-CD1 3.68Å; W584-I655 HydrophobicContact CB-CB 4.29Å; W584-I655 HydrophobicContact CE3-CB 4.23Å; W584-I655 HydrophobicContact CE3-CG2 4.05Å; W584-I655 HydrophobicContact CZ3-CG2 4.49Å; W584-I655 PolarHBondContact N-O 3.49Å; W584-I655 PolarHBondContact O-N 3.21Å; I586-I655 HydrophobicContact CD1-CD1 3.95Å; L596-I655 HydrophobicContact CD1-CD1 3.81Å; L596-I655 HydrophobicContact CD2-CD1 3.6Å; L596-I655 HydrophobicContact CD2-CG1 4.02Å; L596-I655 HydrophobicContact CG-CD1 4.4Å; I621-I655 HydrophobicContact CG2-CG2 4.08Å; R622-I655 CarbonylContact O-C 3.56Å; R622-I655 WeakPolarHBondContact O-CA 3.46Å; I623-I655 HydrophobicContact CG1-CG1 4.37Å; I623-I655 HydrophobicContact CG1-CG2 4.47Å; I655-L672 HydrophobicContact CD1-CD1 4.46Å; I655-L672 HydrophobicContact CG2-CD1 4.25Å |
| 656 | S | 94.4 | Very high | 91.5 | Very high | 21 Ų | 21 | 34.2 Ų | 34.2 | 15% | 0.147 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 143.5 | 172.5 | 68.4 | 0 | 0 | 0 | 0 | 110.8 | C582 D583 I621 R622 | C582-S656 CarbonylContact O-C 3.02Å; C582-S656 VanDerWaalsContact O-CA 3.27Å; C582-S656 WeakPolarHBondContact O-CA 3.38Å; D583-S656 VanDerWaalsContact OD1-CB 3.28Å; D583-S656 WeakPolarHBondContact OD1-CB 3.45Å; I621-S656 CarbonylContact C-O 3.54Å; I621-S656 VanDerWaalsContact CA-O 3.31Å; I621-S656 WeakPolarHBondContact CA-O 3.35Å; R622-S656 PolarHBondContact N-O 2.8Å; R622-S656 PolarHBondContact O-N 2.77Å |
| 657 | F | 96 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 130.4 | 169.8 | 178.7 | -123.9 | 0 | 0 | 0 | 109.1 | Y576 L580 C582 W584 V603 A619 V620 I621 T659 F670 | Y576-F657 HydrophobicContact CD1-CE1 4.43Å; Y576-F657 HydrophobicContact CD1-CZ 4.04Å; Y576-F657 HydrophobicContact CD2-CE1 4.2Å; Y576-F657 AromaticContact CD2-CZ 3.93Å; Y576-F657 HydrophobicContact CD2-CZ 3.93Å; Y576-F657 HydrophobicContact CE1-CZ 4.11Å; Y576-F657 HydrophobicContact CE2-CZ 4.02Å; Y576-F657 HydrophobicContact CG-CE1 4.05Å; Y576-F657 AromaticContact CG-CZ 3.95Å; Y576-F657 HydrophobicContact CG-CZ 3.95Å; L580-F657 HydrophobicContact CD1-CD1 4.33Å; L580-F657 HydrophobicContact CD1-CE1 3.85Å; C582-F657 HydrophobicContact CB-CB 4.1Å; C582-F657 PolarHBondContact N-O 3.4Å; C582-F657 PolarHBondContact O-N 2.71Å; W584-F657 HydrophobicContact CH2-CB 4.08Å; W584-F657 HydrophobicContact CZ3-CB 3.77Å; V603-F657 HydrophobicContact CG1-CE2 3.96Å; V603-F657 HydrophobicContact CG2-CE2 4.34Å; A619-F657 HydrophobicContact CB-CE2 3.96Å; A619-F657 HydrophobicContact CB-CZ 4.2Å; V620-F657 WeakPolarHBondContact O-CA 3.28Å; V620-F657 WeakPolarHBondContact O-CD2 3.41Å; I621-F657 HydrophobicContact CG1-CD2 3.7Å; I621-F657 HydrophobicContact CG1-CE2 4.24Å; F657-T659 HydrophobicContact CD1-CG2 4.37Å; F657-T659 HydrophobicContact CE1-CG2 3.62Å; F657-T659 HydrophobicContact CE2-CG2 4.2Å; F657-T659 HydrophobicContact CZ-CG2 3.52Å; F657-F670 HydrophobicContact CB-CE1 4Å; F657-F670 HydrophobicContact CB-CZ 3.94Å; F657-F670 AromaticContact CD1-CE1 3.83Å; F657-F670 HydrophobicContact CD1-CE1 3.83Å; F657-F670 HydrophobicContact CD1-CZ 4.38Å; F657-F670 HydrophobicContact CD2-CD1 4.46Å; F657-F670 AromaticContact CD2-CE1 3.59Å; F657-F670 HydrophobicContact CD2-CE1 3.59Å; F657-F670 HydrophobicContact CD2-CZ 4.36Å; F657-F670 HydrophobicContact CE1-CE1 4.12Å; F657-F670 HydrophobicContact CE2-CD1 4.4Å; F657-F670 AromaticContact CE2-CE1 3.89Å; F657-F670 HydrophobicContact CE2-CE1 3.89Å; F657-F670 AromaticContact CG-CE1 3.55Å; F657-F670 HydrophobicContact CG-CE1 3.55Å; F657-F670 HydrophobicContact CG-CZ 4.01Å; F657-F670 HydrophobicContact CZ-CE1 4.14Å |
| 658 | R | 95.1 | Very high | 91.7 | Very high | 7 Ų | 7 | 39.6 Ų | 39.6 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 136.3 | -176.8 | -59.6 | -65.9 | -177.7 | -102.7 | 5.1 | 109.4 | P509 L580 I581 C582 D583 A619 V620 | P509-R658 HydrophobicContact CB-CB 4.16Å; P509-R658 WeakPolarHBondContact O-CB 3.44Å; L580-R658 WeakPolarHBondContact O-CA 3.5Å; I581-R658 VanDerWaalsContact CG2-CZ 3.42Å; C582-R658 VanDerWaalsContact C-NH1 3.28Å; C582-R658 PolarHBondContact O-NH1 3.1Å; D583-R658 IonicContact OD1-CZ 2.89Å; D583-R658 IonicContact OD1-NH1 3.56Å; D583-R658 PolarHBondContact OD1-NH1 2.93Å; D583-R658 IonicContact OD1-NH2 2.65Å; D583-R658 PolarHBondContact OD1-NH2 2.94Å; D583-R658 IonicContact OD2-CZ 3.4Å; D583-R658 IonicContact OD2-NH1 2.87Å; D583-R658 IonicContact OD2-NH2 3.13Å; D583-R658 PolarHBondContact OD2-NH2 2.85Å; A619-R658 WeakPolarHBondContact CA-O 3.36Å; V620-R658 HydrophobicContact CG1-CB 4.1Å; V620-R658 PolarHBondContact N-O 2.88Å; V620-R658 PolarHBondContact O-N 2.84Å |
| 659 | T | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 145.3 | 177 | 67.4 | 0 | 0 | 0 | 0 | 110.3 | Y576 V577 N579 L580 S618 A619 F657 | Y576-T659 HydrophobicContact CD2-CG2 3.79Å; Y576-T659 HydrophobicContact CE2-CG2 3.9Å; V577-T659 PolarHBondContact O-OG1 2.85Å; N579-T659 PolarHBondContact N-OG1 2.82Å; L580-T659 HydrophobicContact CB-CG2 3.98Å; L580-T659 WeakPolarHBondContact CB-OG1 3.5Å; L580-T659 HydrophobicContact CD1-CG2 3.99Å; L580-T659 HydrophobicContact CG-CG2 4.35Å; L580-T659 PolarHBondContact N-OG1 2.99Å; L580-T659 PolarHBondContact O-N 2.85Å; S618-T659 CarbonylContact O-C 3.58Å; S618-T659 WeakPolarHBondContact O-CA 3.45Å; A619-T659 HydrophobicContact CB-CG2 4Å; F657-T659 HydrophobicContact CD1-CG2 4.37Å; F657-T659 HydrophobicContact CE1-CG2 3.62Å; F657-T659 HydrophobicContact CE2-CG2 4.2Å; F657-T659 HydrophobicContact CZ-CG2 3.52Å |
| 660 | H | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -58.3 | 140.9 | -178.1 | -168.7 | -60.8 | 0 | 0 | 0 | 110.1 | Y464 P509 N579 S618 E662 K663 V664 | Y464-H660 AromaticContact CD2-CE1 3.34Å; Y464-H660 WeakPolarHBondContact CD2-CE1 3.45Å; Y464-H660 AromaticContact CD2-NE2 3.36Å; Y464-H660 WeakPolarHBondContact CD2-NE2 3.33Å; Y464-H660 AromaticContact CE2-CE1 3.71Å; P509-H660 HydrophobicContact CG-CB 3.96Å; P509-H660 VanDerWaalsContact CG-N 3.32Å; N579-H660 PolarHBondContact N-O 3.22Å; N579-H660 VanDerWaalsContact N-O 3.14Å; S618-H660 WeakPolarHBondContact O-CB 3.4Å; S618-H660 PolarHBondContact O-N 3.4Å; H660-E662 VanDerWaalsContact C-N 3.3Å; H660-E662 PolarHBondContact ND1-N 2.89Å; H660-E662 VanDerWaalsContact ND1-N 3.14Å; H660-E662 PolarHBondContact O-N 2.02Å; H660-K663 PolarHBondContact ND1-N 3.11Å; H660-K663 VanDerWaalsContact ND1-N 3.15Å; H660-V664 HydrophobicContact CB-CG2 3.69Å; H660-V664 WeakPolarHBondContact O-CG2 3.42Å | ||
| 661 | P | 92.2 | Very high | 92.3 | Very high | 22 Ų | 22 | 34 Ų | 34 | 14% | 0.143 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -63.6 | -34 | -177.7 | -29.8 | 39 | 0 | 0 | 0 | 114.3 | Y464 K578 N579 | Y464-P661 HydrophobicContact CD1-CG 3.76Å; Y464-P661 HydrophobicContact CE1-CG 3.72Å; Y464-P661 HydrophobicContact CG-CG 4.27Å; K578-P661 WeakPolarHBondContact CD-O 3.47Å; K578-P661 WeakPolarHBondContact CG-O 3.32Å; N579-P661 HydrophobicContact CB-CB 4.4Å |
| 662 | E | 89.5 | Confident | 92.4 | Very high | 115 Ų | 115 | 31.9 Ų | 31.9 | 54% | 0.537 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -113.5 | -49.7 | -175.8 | -62 | 177.1 | -179.6 | 0 | 0 | 114.8 | H660 V664 | H660-E662 VanDerWaalsContact C-N 3.3Å; H660-E662 PolarHBondContact ND1-N 2.89Å; H660-E662 VanDerWaalsContact ND1-N 3.14Å; H660-E662 PolarHBondContact O-N 2.02Å; E662-V664 PolarHBondContact O-N 3.36Å |
| 663 | K | 86.2 | Confident | 92.5 | Very high | 82 Ų | 82 | 31.9 Ų | 31.9 | 36% | 0.357 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -90.4 | 67.2 | -170.9 | -66.5 | 172.7 | 175.3 | 159.8 | 0 | 112.5 | D466 S618 H660 | D466-K663 IonicContact OD1-NZ 2.72Å; D466-K663 PolarHBondContact OD1-NZ 2.94Å; S618-K663 WeakPolarHBondContact CB-O 3.33Å; S618-K663 PolarHBondContact OG-O 3.16Å; H660-K663 PolarHBondContact ND1-N 3.11Å; H660-K663 VanDerWaalsContact ND1-N 3.15Å |
| 664 | V | 87.4 | Confident | 92.6 | Very high | 18 Ų | 18 | 32 Ų | 32 | 11% | 0.109 | 16% | 0.157 | C | C | . | . | trans | -140.7 | 125.5 | 176.4 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | Y576 K578 S618 H660 E662 | Y576-V664 HydrophobicContact CD2-CG1 4.2Å; Y576-V664 HydrophobicContact CE2-CG1 3.76Å; K578-V664 HydrophobicContact CB-CB 3.77Å; K578-V664 HydrophobicContact CB-CG1 4.45Å; K578-V664 HydrophobicContact CB-CG2 4.12Å; S618-V664 WeakPolarHBondContact O-CG2 3.29Å; H660-V664 HydrophobicContact CB-CG2 3.69Å; H660-V664 WeakPolarHBondContact O-CG2 3.42Å; E662-V664 PolarHBondContact O-N 3.36Å | ||
| 665 | N | 87 | Confident | 92.7 | Very high | 143 Ų | 143 | 29.6 Ų | 29.6 | 77% | 0.765 | 15% | 0.147 | S | C | * | . | trans | -92.6 | -25.5 | 173.7 | -68.8 | -37.9 | 0 | 0 | 0 | 111.7 | E604 | E604-N665 PolarHBondContact OE1-N 3.39Š| ||
| 666 | G | 85.5 | Confident | 92.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | 81.2 | 124.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R575 Y576 E604 | R575-G666 VanDerWaalsContact CD-O 3.23Å; R575-G666 WeakPolarHBondContact CD-O 3.27Å; R575-G666 WeakPolarHBondContact CG-O 3.25Å; R575-G666 PolarHBondContact NH1-O 2.8Å; Y576-G666 WeakPolarHBondContact O-CA 3.3Å; E604-G666 PolarHBondContact OE1-N 3.46Å | ||
| 667 | L | 92.3 | Very high | 92.6 | Very high | 41 Ų | 41 | 28.8 Ų | 28.8 | 22% | 0.215 | 14% | 0.141 | C | C | . | . | trans | -105.9 | 173.3 | 165.8 | -69.5 | -177.3 | 0 | 0 | 0 | 110 | R575 Y576 N602 E604 E637 G669 | R575-L667 WeakPolarHBondContact CA-O 3.27Å; Y576-L667 WeakPolarHBondContact CD1-O 3.39Å; Y576-L667 HydrophobicContact CE1-CB 4.02Å; Y576-L667 VanDerWaalsContact CE1-O 3.31Å; Y576-L667 WeakPolarHBondContact CE1-O 3.42Å; Y576-L667 PolarHBondContact N-O 2.79Å; Y576-L667 VanDerWaalsContact N-O 3.13Å; N602-L667 WeakPolarHBondContact O-CB 3.21Å; N602-L667 VanDerWaalsContact OD1-CB 3.31Å; N602-L667 WeakPolarHBondContact OD1-CB 3.25Å; N602-L667 VanDerWaalsContact OD1-CD1 3.26Å; N602-L667 WeakPolarHBondContact OD1-CD1 3.5Å; E604-L667 HydrophobicContact CB-CD1 4.44Å; E604-L667 HydrophobicContact CG-CD1 3.88Å; E604-L667 HydrophobicContact CG-CG 3.75Å; E637-L667 HydrophobicContact CG-CD1 4.19Å; L667-G669 PolarHBondContact O-N 2.89Å | ||
| 668 | K | 93.1 | Very high | 92.4 | Very high | 129 Ų | 129 | 32.4 Ų | 32.4 | 56% | 0.561 | 16% | 0.157 | S | C | * | . | trans | -55.1 | -18.1 | -175.8 | -67.9 | -176.3 | 179.4 | 178.4 | 0 | 114.1 | F572 N602 | F572-K668 VanDerWaalsContact CD2-O 3.25Å; F572-K668 WeakPolarHBondContact CD2-O 3.47Å; N602-K668 HydrophobicContact CB-CB 4.23Å | ||
| 669 | G | 93.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 90.4 | -153.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S569 N602 L667 | S569-G669 VanDerWaalsContact OG-CA 3.22Å; S569-G669 WeakPolarHBondContact OG-CA 3.49Å; N602-G669 CarbonylContact C-O 3.49Å; N602-G669 VanDerWaalsContact CA-O 3.32Å; N602-G669 WeakPolarHBondContact CA-O 3.31Å; N602-G669 VanDerWaalsContact CB-O 3.28Å; N602-G669 WeakPolarHBondContact CB-O 3.31Å; N602-G669 PolarHBondContact N-O 2.79Å; N602-G669 VanDerWaalsContact O-CA 3.3Å; N602-G669 WeakPolarHBondContact O-CA 3.22Å; N602-G669 PolarHBondContact O-N 3.15Å; L667-G669 PolarHBondContact O-N 2.89Å |
| 670 | F | 95 | Very high | 91 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 159 | -172.1 | 63.6 | -94.9 | 0 | 0 | 0 | 111.7 | I567 S568 S569 W584 V600 L601 V603 I621 F657 L672 | I567-F670 HydrophobicContact CG2-CE2 4.49Å; S568-F670 CarbonylContact C-O 3.46Å; S568-F670 WeakPolarHBondContact CA-O 3.4Å; S568-F670 WeakPolarHBondContact CB-O 3.42Å; S569-F670 PolarHBondContact N-O 2.99Å; S569-F670 PolarHBondContact OG-N 2.75Å; W584-F670 AromaticContact CH2-CZ 3.98Å; W584-F670 HydrophobicContact CH2-CZ 3.98Å; W584-F670 HydrophobicContact CZ3-CZ 4.21Å; V600-F670 CarbonylContact O-C 3.46Å; V600-F670 WeakPolarHBondContact O-CA 3.34Å; V600-F670 WeakPolarHBondContact O-CB 3.28Å; L601-F670 HydrophobicContact CD1-CB 4.2Å; V603-F670 HydrophobicContact CG2-CB 4.29Å; V603-F670 HydrophobicContact CG2-CD1 3.75Å; V603-F670 HydrophobicContact CG2-CG 4.47Å; I621-F670 HydrophobicContact CD1-CB 4.28Å; I621-F670 HydrophobicContact CD1-CD1 3.5Å; I621-F670 HydrophobicContact CD1-CD2 4.21Å; I621-F670 HydrophobicContact CD1-CE1 3.77Å; I621-F670 HydrophobicContact CD1-CE2 4.43Å; I621-F670 HydrophobicContact CD1-CG 3.73Å; I621-F670 HydrophobicContact CD1-CZ 4.22Å; I621-F670 HydrophobicContact CG1-CD1 4.07Å; I621-F670 HydrophobicContact CG1-CE1 3.85Å; I621-F670 HydrophobicContact CG1-CZ 4.28Å; F657-F670 HydrophobicContact CB-CE1 4Å; F657-F670 HydrophobicContact CB-CZ 3.94Å; F657-F670 AromaticContact CD1-CE1 3.83Å; F657-F670 HydrophobicContact CD1-CE1 3.83Å; F657-F670 HydrophobicContact CD1-CZ 4.38Å; F657-F670 HydrophobicContact CD2-CD1 4.46Å; F657-F670 AromaticContact CD2-CE1 3.59Å; F657-F670 HydrophobicContact CD2-CE1 3.59Å; F657-F670 HydrophobicContact CD2-CZ 4.36Å; F657-F670 HydrophobicContact CE1-CE1 4.12Å; F657-F670 HydrophobicContact CE2-CD1 4.4Å; F657-F670 AromaticContact CE2-CE1 3.89Å; F657-F670 HydrophobicContact CE2-CE1 3.89Å; F657-F670 AromaticContact CG-CE1 3.55Å; F657-F670 HydrophobicContact CG-CE1 3.55Å; F657-F670 HydrophobicContact CG-CZ 4.01Å; F657-F670 HydrophobicContact CZ-CE1 4.14Å; F670-L672 HydrophobicContact CD2-CD1 4.25Å; F670-L672 HydrophobicContact CD2-CD2 4.23Å; F670-L672 HydrophobicContact CD2-CG 3.78Å; F670-L672 HydrophobicContact CE2-CD1 4.13Å; F670-L672 HydrophobicContact CE2-CG 4.1Å |
| 671 | N | 94.6 | Very high | 89.8 | Confident | 29 Ų | 29 | 43.1 Ų | 43.1 | 16% | 0.155 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 120.3 | 167.7 | -172 | 0.4 | 0 | 0 | 0 | 108.7 | T566 I567 S568 F572 V599 V600 | T566-N671 WeakPolarHBondContact CB-OD1 3.42Å; I567-N671 CarbonylContact O-C 3.55Å; I567-N671 WeakPolarHBondContact O-CA 3.41Å; I567-N671 PolarHBondContact O-OD1 2.88Å; S568-N671 VanDerWaalsContact OG-CG 3.24Å; S568-N671 PolarHBondContact OG-OD1 2.86Å; F572-N671 HydrophobicContact CD1-CB 4.48Å; F572-N671 HydrophobicContact CE1-CB 3.99Å; F572-N671 HydrophobicContact CE2-CB 4.4Å; F572-N671 HydrophobicContact CZ-CB 3.96Å; V599-N671 PolarHBondContact N-O 2.97Å; V600-N671 HydrophobicContact CB-CB 4.39Å; V600-N671 PolarHBondContact N-O 2.88Å; V600-N671 VanDerWaalsContact N-O 3.13Å; V600-N671 PolarHBondContact O-N 2.98Å |
| 672 | L | 95.1 | Very high | 89 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 124.3 | 177.2 | -51.4 | 179.3 | 0 | 0 | 0 | 109 | T566 I567 L596 Q597 P598 I655 F670 | T566-L672 CarbonylContact C-O 3.47Å; T566-L672 VanDerWaalsContact CA-O 3.23Å; T566-L672 WeakPolarHBondContact CA-O 3.41Å; I567-L672 PolarHBondContact N-O 2.92Å; I567-L672 PolarHBondContact O-N 3.02Å; L596-L672 HydrophobicContact CD1-CB 3.76Å; L596-L672 HydrophobicContact CD1-CD1 4.21Å; L596-L672 HydrophobicContact CD2-CD1 4.36Å; Q597-L672 CarbonylContact O-C 3.6Å; Q597-L672 VanDerWaalsContact O-CA 3.28Å; Q597-L672 WeakPolarHBondContact O-CA 3.34Å; P598-L672 HydrophobicContact CB-CD2 3.75Å; I655-L672 HydrophobicContact CD1-CD1 4.46Å; I655-L672 HydrophobicContact CG2-CD1 4.25Å; F670-L672 HydrophobicContact CD2-CD1 4.25Å; F670-L672 HydrophobicContact CD2-CD2 4.23Å; F670-L672 HydrophobicContact CD2-CG 3.78Å; F670-L672 HydrophobicContact CE2-CD1 4.13Å; F670-L672 HydrophobicContact CE2-CG 4.1Å |
| 673 | S | 94.7 | Very high | 88.6 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 3% | 0.028 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 146.1 | 167.1 | 58 | 0 | 0 | 0 | 0 | 109.8 | G565 L596 Q597 V599 | G565-S673 WeakPolarHBondContact O-CA 3.5Å; L596-S673 CarbonylContact C-O 3.58Å; L596-S673 WeakPolarHBondContact CA-O 3.31Å; Q597-S673 PolarHBondContact N-O 2.84Å; Q597-S673 PolarHBondContact O-N 2.83Å; Q597-S673 PolarHBondContact O-OG 2.81Å; V599-S673 WeakPolarHBondContact CG2-OG 3.47Å |
| 674 | W | 95.3 | Very high | 88.5 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 147.7 | 172.6 | 70.1 | -89.2 | 0 | 0 | 0 | 111.3 | I559 S562 S564 G565 I586 V588 I594 L595 L596 | I559-W674 HydrophobicContact CG2-CH2 4.21Å; I559-W674 HydrophobicContact CG2-CZ2 3.57Å; S562-W674 WeakPolarHBondContact O-CH2 3.26Å; S564-W674 CarbonylContact C-O 3.53Å; S564-W674 WeakPolarHBondContact CA-O 3.49Å; S564-W674 WeakPolarHBondContact CB-O 3.49Å; G565-W674 PolarHBondContact N-O 3.21Å; G565-W674 VanDerWaalsContact O-CD1 3.22Å; G565-W674 PolarHBondContact O-N 3.12Å; I586-W674 HydrophobicContact CD1-CB 4.14Å; I586-W674 HydrophobicContact CD1-CD2 3.94Å; I586-W674 HydrophobicContact CD1-CG 3.63Å; I586-W674 HydrophobicContact CG2-CD2 3.91Å; I586-W674 HydrophobicContact CG2-CE3 3.85Å; I586-W674 HydrophobicContact CG2-CH2 3.96Å; I586-W674 HydrophobicContact CG2-CZ2 4.05Å; I586-W674 HydrophobicContact CG2-CZ3 3.87Å; V588-W674 HydrophobicContact CG1-CE3 4.43Å; V588-W674 HydrophobicContact CG1-CH2 4.46Å; V588-W674 HydrophobicContact CG1-CZ3 3.7Å; I594-W674 HydrophobicContact CG2-CB 4.19Å; I594-W674 HydrophobicContact CG2-CE3 4.15Å; L595-W674 CarbonylContact O-C 3.56Å; L595-W674 WeakPolarHBondContact O-CA 3.46Å; L596-W674 HydrophobicContact CB-CB 4.47Å; L596-W674 HydrophobicContact CD1-CB 3.76Å |
| 675 | T | 94.7 | Very high | 88.2 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 138.9 | -178.7 | -71.6 | 0 | 0 | 0 | 0 | 111.3 | S564 L595 I698 V702 D709 | S564-T675 VanDerWaalsContact CB-OG1 3.3Å; S564-T675 WeakPolarHBondContact CB-OG1 3.37Å; L595-T675 PolarHBondContact N-O 2.02Å; L595-T675 PolarHBondContact O-N 2.76Å; T675-I698 HydrophobicContact CG2-CG2 4.2Å; T675-V702 HydrophobicContact CG2-CG2 4.22Å; T675-D709 WeakPolarHBondContact CB-OD1 3.32Å; T675-D709 HydrophobicContact CG2-CB 4.01Å; T675-D709 PolarHBondContact OG1-OD1 2.95Å |
| 676 | E | 94.6 | Very high | 88.1 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 1% | 0.014 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 133.5 | 171.2 | 85.4 | 176.6 | 176 | 0 | 0 | 110.5 | I563 V588 R589 Y592 R593 | I563-E676 HydrophobicContact CB-CG 4.06Å; I563-E676 WeakPolarHBondContact CB-OE1 3.47Å; I563-E676 WeakPolarHBondContact CG2-OE1 3.39Å; I563-E676 WeakPolarHBondContact O-CG 3.41Å; I563-E676 PolarHBondContact O-N 3.21Å; V588-E676 HydrophobicContact CB-CB 3.84Å; V588-E676 HydrophobicContact CG1-CB 3.66Å; V588-E676 HydrophobicContact CG2-CB 4.3Å; R589-E676 IonicContact CZ-OE1 3.69Å; R589-E676 IonicContact NE-OE1 3.65Å; R589-E676 PolarHBondContact NE-OE1 2.97Å; R589-E676 IonicContact NE-OE2 3.72Å; R589-E676 PolarHBondContact NE-OE2 3.14Å; R589-E676 IonicContact NH2-OE1 3.65Å; R589-E676 PolarHBondContact NH2-OE1 2.95Å; Y592-E676 HydrophobicContact CD1-CG 4.24Å; R593-E676 CarbonylContact O-C 3.04Å; R593-E676 WeakPolarHBondContact O-CA 3.21Å |
| 677 | F | 93.7 | Very high | 88.1 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 159.9 | 178.2 | 77.6 | -83.1 | 0 | 0 | 0 | 111.4 | Y592 R593 L595 V647 Q679 I696 C697 I698 | Y592-F677 WeakPolarHBondContact CA-O 3.43Å; R593-F677 HydrophobicContact CB-CD1 4.12Å; R593-F677 HydrophobicContact CB-CE1 3.55Å; R593-F677 HydrophobicContact CB-CE2 4.26Å; R593-F677 HydrophobicContact CB-CZ 3.64Å; R593-F677 PolarHBondContact N-O 3.44Å; R593-F677 WeakPolarHBondContact O-CD1 3.48Å; R593-F677 PolarHBondContact O-N 3.16Å; L595-F677 HydrophobicContact CB-CD1 3.69Å; L595-F677 HydrophobicContact CB-CE1 3.82Å; V647-F677 HydrophobicContact CG1-CE1 3.83Å; V647-F677 HydrophobicContact CG1-CZ 3.51Å; F677-Q679 HydrophobicContact CD2-CB 4.45Å; F677-Q679 HydrophobicContact CE2-CB 3.95Å; F677-I696 HydrophobicContact CB-CB 4.38Å; F677-I696 HydrophobicContact CB-CD1 4.18Å; F677-I696 HydrophobicContact CD2-CB 3.72Å; F677-I696 HydrophobicContact CD2-CD1 4.26Å; F677-I696 HydrophobicContact CD2-CG2 3.67Å; F677-I696 HydrophobicContact CE2-CB 4.4Å; F677-I696 HydrophobicContact CE2-CG2 3.84Å; F677-I696 HydrophobicContact CG-CB 4.37Å; F677-I696 HydrophobicContact CG-CD1 4.22Å; F677-C697 CarbonylContact C-O 3.57Å; F677-C697 VanDerWaalsContact CA-O 3.3Å; F677-C697 WeakPolarHBondContact CA-O 3.45Å; F677-I698 HydrophobicContact CB-CG2 3.89Å |
| 678 | K | 91.1 | Very high | 87.9 | Confident | 76 Ų | 76 | 56.2 Ų | 56.2 | 33% | 0.33 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 130.6 | 172.9 | -171.9 | 177.4 | 178.5 | -179.5 | 0 | 109.9 | Y592 C697 | Y592-K678 HydrophobicContact CD1-CB 3.98Å; Y592-K678 HydrophobicContact CE1-CB 3.91Å; K678-C697 HydrophobicContact CB-CB 4.28Å; K678-C697 PolarHBondContact N-O 3.43Å; K678-C697 PolarHBondContact O-N 3.17Å |
| 679 | Q | 84.1 | Confident | 87.8 | Confident | 112 Ų | 112 | 51.7 Ų | 51.7 | 52% | 0.523 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 111.8 | 178.1 | -162.6 | 147.7 | 31 | 0 | 0 | 110.2 | F677 | F677-Q679 HydrophobicContact CD2-CB 4.45Å; F677-Q679 HydrophobicContact CE2-CB 3.95Å |
| 680 | G | 76.1 | Confident | 87.6 | Confident | 54 Ų | 54 | 56.3 Ų | 56.3 | 56% | 0.557 | 31% | 0.313 | S | S | * | . | S | Bend | trans | 78.7 | 144.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 681 | G | 71 | Confident | 87.4 | Confident | 66 Ų | 66 | 56.3 Ų | 56.3 | 68% | 0.68 | 31% | 0.313 | S | S | * | . | S | Bend | trans | 109.2 | 174.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | C683 | G681-C683 PolarHBondContact O-N 2.7Š|
| 682 | R | 73.8 | Confident | 87.1 | Confident | 197 Ų | 197 | 60.2 Ų | 60.2 | 74% | 0.743 | 33% | 0.334 | S | S | * | . | trans | -60.8 | 107.5 | 178.4 | -95.6 | -174.3 | 157.8 | 167.7 | -8.5 | 111.1 | E684 | R682-E684 VanDerWaalsContact C-N 3.26Å; R682-E684 HydrophobicContact CB-CG 4.42Å; R682-E684 WeakPolarHBondContact CD-OE2 3.49Å; R682-E684 HydrophobicContact CG-CG 4.17Å; R682-E684 WeakPolarHBondContact CG-OE1 3.45Å; R682-E684 IonicContact CZ-OE1 2.78Å; R682-E684 IonicContact CZ-OE2 3.37Å; R682-E684 VanDerWaalsContact CZ-OE2 3.3Å; R682-E684 IonicContact NE-OE1 3.77Å; R682-E684 PolarHBondContact NE-OE1 3.24Å; R682-E684 IonicContact NE-OE2 2.73Å; R682-E684 PolarHBondContact NE-OE2 3.02Å; R682-E684 IonicContact NH2-OE1 3.64Å; R682-E684 IonicContact NH2-OE2 3.77Å; R682-E684 PolarHBondContact NH2-OE2 2.88Å; R682-E684 PolarHBondContact O-N 2.89Å | ||
| 683 | C | 82.7 | Confident | 86.7 | Confident | 29 Ų | 29 | 67.1 Ų | 67.1 | 20% | 0.196 | 36% | 0.364 | C | S | . | . | trans | -94.4 | 57.2 | 165.1 | -163.1 | 0 | 0 | 0 | 0 | 109 | G681 H690 C697 | G681-C683 PolarHBondContact O-N 2.7Å; C683-H690 HydrophobicContact CB-CB 4.33Å; C683-C697 VanDerWaalsContact CA-SG 3.54Å; C683-C697 HydrophobicContact CB-CB 3.64Å; C683-C697 WeakPolarHBondContact CB-SG 3.43Å; C683-C697 VanDerWaalsContact SG-CA 3.55Å; C683-C697 WeakPolarHBondContact SG-CB 3.06Å; C683-C697 CovalentContact SG-SG 2.03Å; C683-C697 PolarHBondContact SG-SG 2.85Å | ||
| 684 | E | 82.5 | Confident | 86.3 | Confident | 121 Ų | 121 | 68.9 Ų | 68.9 | 57% | 0.565 | 38% | 0.377 | S | S | * | . | trans | -110.5 | 137.1 | -177.2 | -67.2 | 175 | -159.3 | 0 | 0 | 109 | R682 N688 | R682-E684 VanDerWaalsContact C-N 3.26Å; R682-E684 HydrophobicContact CB-CG 4.42Å; R682-E684 WeakPolarHBondContact CD-OE2 3.49Å; R682-E684 HydrophobicContact CG-CG 4.17Å; R682-E684 WeakPolarHBondContact CG-OE1 3.45Å; R682-E684 IonicContact CZ-OE1 2.78Å; R682-E684 IonicContact CZ-OE2 3.37Å; R682-E684 VanDerWaalsContact CZ-OE2 3.3Å; R682-E684 IonicContact NE-OE1 3.77Å; R682-E684 PolarHBondContact NE-OE1 3.24Å; R682-E684 IonicContact NE-OE2 2.73Å; R682-E684 PolarHBondContact NE-OE2 3.02Å; R682-E684 IonicContact NH2-OE1 3.64Å; R682-E684 IonicContact NH2-OE2 3.77Å; R682-E684 PolarHBondContact NH2-OE2 2.88Å; R682-E684 PolarHBondContact O-N 2.89Å; E684-N688 PolarHBondContact O-ND2 2.8Å | ||
| 685 | G | 81.7 | Confident | 86 | Confident | 44 Ų | 44 | 77.7 Ų | 77.7 | 45% | 0.454 | 41% | 0.41 | S | S | . | . | S | Bend | trans | 125 | 154.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E687 N688 | G685-E687 PolarHBondContact O-N 3.18Å; G685-N688 PolarHBondContact O-N 2.86Å |
| 686 | P | 84.8 | Confident | 85.8 | Confident | 125 Ų | 125 | 78.1 Ų | 78.1 | 81% | 0.812 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -24.4 | -174.3 | 26.7 | -34.7 | 0 | 0 | 0 | 113.7 | N688 S700 | P686-N688 VanDerWaalsContact C-N 3.32Å; P686-S700 WeakPolarHBondContact O-CB 3.38Å; P686-S700 PolarHBondContact O-OG 2.95Å |
| 687 | E | 86.3 | Confident | 85.7 | Confident | 132 Ų | 132 | 78.6 Ų | 78.6 | 62% | 0.617 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -7.4 | -179.6 | -58 | -166.4 | 162.3 | 0 | 0 | 114.2 | G685 S699 S700 | G685-E687 PolarHBondContact O-N 3.18Å; E687-S699 CarbonylContact O-C 3.58Å; E687-S699 WeakPolarHBondContact O-CA 3.28Å; E687-S699 PolarHBondContact O-OG 2.81Å; E687-S700 VanDerWaalsContact C-OG 3.31Å; E687-S700 PolarHBondContact O-N 3.43Å |
| 688 | N | 88.4 | Confident | 85.7 | Confident | 48 Ų | 48 | 78.5 Ų | 78.5 | 26% | 0.257 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 142.4 | -176.5 | -63.9 | -38.8 | 0 | 0 | 0 | 110.5 | E684 G685 P686 I698 S700 | E684-N688 PolarHBondContact O-ND2 2.8Å; G685-N688 PolarHBondContact O-N 2.86Å; P686-N688 VanDerWaalsContact C-N 3.32Å; N688-I698 WeakPolarHBondContact CA-O 3.49Å; N688-S700 VanDerWaalsContact C-OG 3.23Å; N688-S700 PolarHBondContact N-OG 3.45Å; N688-S700 PolarHBondContact O-OG 2.98Å |
| 689 | F | 89.7 | Confident | 85.7 | Confident | 35 Ų | 35 | 75.5 Ų | 75.5 | 15% | 0.154 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 129.7 | 175.5 | -179.2 | -104.1 | 0 | 0 | 0 | 109.9 | C697 I698 R703 S716 D717 | F689-C697 WeakPolarHBondContact O-CA 3.45Å; F689-I698 HydrophobicContact CB-CG1 4.04Å; F689-I698 HydrophobicContact CD1-CD1 3.91Å; F689-I698 HydrophobicContact CD1-CG1 3.89Å; F689-I698 HydrophobicContact CG-CG1 4.47Å; F689-I698 PolarHBondContact N-O 3.05Å; F689-I698 PolarHBondContact O-N 2.88Å; F689-R703 HydrophobicContact CB-CG 4.26Å; F689-R703 HydrophobicContact CD1-CG 4.33Å; F689-R703 HydrophobicContact CD2-CG 4.44Å; F689-R703 HydrophobicContact CG-CG 4.09Å; F689-S716 WeakPolarHBondContact CZ-O 3.43Å; F689-D717 HydrophobicContact CD1-CB 4.41Å; F689-D717 HydrophobicContact CE1-CB 4.01Å |
| 690 | H | 90.5 | Very high | 86 | Confident | 96 Ų | 96 | 71.9 Ų | 71.9 | 44% | 0.444 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 113.5 | 178.2 | -174.6 | -88.2 | 0 | 0 | 0 | 109.6 | C683 | C683-H690 HydrophobicContact CB-CB 4.33Å |
| 691 | C | 90.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 40% | 0.397 | C | S | . | . | trans | -65.3 | 139.9 | 176.4 | -63.1 | 0 | 0 | 0 | 0 | 110.9 | S694 R695 I696 C710 D714 | C691-S694 WeakPolarHBondContact CB-OG 3.18Å; C691-R695 WeakPolarHBondContact O-CA 3.44Å; C691-R695 PolarHBondContact O-N 2.93Å; C691-I696 HydrophobicContact CB-CG1 3.95Å; C691-I696 PolarHBondContact N-O 3.49Å; C691-C710 HydrophobicContact CB-CB 3.65Å; C691-C710 WeakPolarHBondContact CB-SG 3.46Å; C691-C710 WeakPolarHBondContact SG-CA 3.38Å; C691-C710 WeakPolarHBondContact SG-CB 3.37Å; C691-C710 CovalentContact SG-SG 2.04Å; C691-C710 PolarHBondContact SG-SG 2.79Å; C691-D714 WeakPolarHBondContact CB-OD2 3.44Å | ||
| 692 | N | 87.4 | Confident | 87.6 | Confident | 111 Ų | 111 | 73.9 Ų | 73.9 | 59% | 0.594 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -44.6 | -165.6 | -161.4 | 22 | 0 | 0 | 0 | 112.3 | D714 S716 | N692-D714 PolarHBondContact N-OD2 2.74Å; N692-S716 WeakPolarHBondContact CB-OG 3.4Å; N692-S716 PolarHBondContact N-OG 3.33Å |
| 693 | F | 86.8 | Confident | 88.3 | Confident | 146 Ų | 146 | 68.4 Ų | 68.4 | 64% | 0.64 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -43.8 | -175.2 | -62.1 | -74.9 | 0 | 0 | 0 | 112.1 | R695 D714 | F693-R695 VanDerWaalsContact C-N 3.35Å; F693-D714 WeakPolarHBondContact CA-OD2 3.23Å; F693-D714 HydrophobicContact CB-CB 4Å; F693-D714 WeakPolarHBondContact CB-OD2 3.07Å; F693-D714 HydrophobicContact CD2-CB 4.41Å; F693-D714 PolarHBondContact N-OD2 2.69Å |
| 694 | S | 87.9 | Confident | 88.6 | Confident | 41 Ų | 41 | 69.9 Ų | 69.9 | 29% | 0.287 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -17.1 | -179.3 | 64.7 | 0 | 0 | 0 | 0 | 113.6 | C691 I696 C710 D714 | C691-S694 WeakPolarHBondContact CB-OG 3.18Å; S694-I696 PolarHBondContact O-N 2.97Å; S694-I696 WeakPolarHBondContact OG-CG1 3.16Å; S694-C710 WeakPolarHBondContact CB-O 3.32Å; S694-C710 PolarHBondContact OG-O 2.81Å; S694-D714 PolarHBondContact N-OD2 2.75Å; S694-D714 PolarHBondContact OG-OD2 3.39Å |
| 695 | R | 88.5 | Confident | 88.8 | Confident | 190 Ų | 190 | 66.6 Ų | 66.6 | 72% | 0.717 | 34% | 0.341 | S | S | * | . | trans | 55 | 29.1 | -179.3 | -53.6 | -173.6 | -176.6 | 174.7 | 1.6 | 114.2 | C691 F693 | C691-R695 WeakPolarHBondContact O-CA 3.44Å; C691-R695 PolarHBondContact O-N 2.93Å; F693-R695 VanDerWaalsContact C-N 3.35Å | ||
| 696 | I | 90.9 | Very high | 89 | Confident | 10 Ų | 10 | 73.2 Ų | 73.2 | 5% | 0.051 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 152.4 | 171.7 | 68.6 | -177.2 | 0 | 0 | 0 | 110.4 | L595 F677 C691 S694 I698 | L595-I696 HydrophobicContact CD2-CD1 4.1Å; F677-I696 HydrophobicContact CB-CB 4.38Å; F677-I696 HydrophobicContact CB-CD1 4.18Å; F677-I696 HydrophobicContact CD2-CB 3.72Å; F677-I696 HydrophobicContact CD2-CD1 4.26Å; F677-I696 HydrophobicContact CD2-CG2 3.67Å; F677-I696 HydrophobicContact CE2-CB 4.4Å; F677-I696 HydrophobicContact CE2-CG2 3.84Å; F677-I696 HydrophobicContact CG-CB 4.37Å; F677-I696 HydrophobicContact CG-CD1 4.22Å; C691-I696 HydrophobicContact CB-CG1 3.95Å; C691-I696 PolarHBondContact N-O 3.49Å; S694-I696 PolarHBondContact O-N 2.97Å; S694-I696 WeakPolarHBondContact OG-CG1 3.16Å; I696-I698 HydrophobicContact CD1-CG2 4.16Å; I696-I698 HydrophobicContact CG1-CG2 4.15Å |
| 697 | C | 92.6 | Very high | 89.2 | Confident | 13 Ų | 13 | 69 Ų | 69 | 9% | 0.088 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 118.1 | 175.4 | -167.8 | 0 | 0 | 0 | 0 | 109.7 | F677 K678 C683 F689 | F677-C697 CarbonylContact C-O 3.57Å; F677-C697 VanDerWaalsContact CA-O 3.3Å; F677-C697 WeakPolarHBondContact CA-O 3.45Å; K678-C697 HydrophobicContact CB-CB 4.28Å; K678-C697 PolarHBondContact N-O 3.43Å; K678-C697 PolarHBondContact O-N 3.17Å; C683-C697 VanDerWaalsContact CA-SG 3.54Å; C683-C697 HydrophobicContact CB-CB 3.64Å; C683-C697 WeakPolarHBondContact CB-SG 3.43Å; C683-C697 VanDerWaalsContact SG-CA 3.55Å; C683-C697 WeakPolarHBondContact SG-CB 3.06Å; C683-C697 CovalentContact SG-SG 2.03Å; C683-C697 PolarHBondContact SG-SG 2.85Å; F689-C697 WeakPolarHBondContact O-CA 3.45Å |
| 698 | I | 92.6 | Very high | 89.2 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 2% | 0.015 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 171.4 | 176.2 | 64.5 | 176.3 | 0 | 0 | 0 | 110 | T675 F677 N688 F689 I696 V702 D709 D717 | T675-I698 HydrophobicContact CG2-CG2 4.2Å; F677-I698 HydrophobicContact CB-CG2 3.89Å; N688-I698 WeakPolarHBondContact CA-O 3.49Å; F689-I698 HydrophobicContact CB-CG1 4.04Å; F689-I698 HydrophobicContact CD1-CD1 3.91Å; F689-I698 HydrophobicContact CD1-CG1 3.89Å; F689-I698 HydrophobicContact CG-CG1 4.47Å; F689-I698 PolarHBondContact N-O 3.05Å; F689-I698 PolarHBondContact O-N 2.88Å; I696-I698 HydrophobicContact CD1-CG2 4.16Å; I696-I698 HydrophobicContact CG1-CG2 4.15Å; I698-V702 HydrophobicContact CB-CG2 4.25Å; I698-V702 HydrophobicContact CD1-CG2 3.86Å; I698-V702 HydrophobicContact CG1-CG2 4.25Å; I698-D709 HydrophobicContact CD1-CB 3.96Å; I698-D717 HydrophobicContact CD1-CB 4.17Å |
| 699 | S | 91.5 | Very high | 89.4 | Confident | 13 Ų | 13 | 65.5 Ų | 65.5 | 9% | 0.091 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 138 | 174.5 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | E687 K701 V702 | E687-S699 CarbonylContact O-C 3.58Å; E687-S699 WeakPolarHBondContact O-CA 3.28Å; E687-S699 PolarHBondContact O-OG 2.81Å; S699-K701 PolarHBondContact O-N 3.23Å; S699-K701 PolarHBondContact OG-N 2.81Å; S699-V702 WeakPolarHBondContact O-CG2 3.12Å; S699-V702 PolarHBondContact O-N 2.83Å; S699-V702 VanDerWaalsContact O-N 3.11Å |
| 700 | S | 90 | Very high | 89.4 | Confident | 35 Ų | 35 | 63.9 Ų | 63.9 | 25% | 0.245 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -57.6 | -20.1 | 170.1 | -65.9 | 0 | 0 | 0 | 0 | 113.2 | P686 E687 N688 V702 R703 | P686-S700 WeakPolarHBondContact O-CB 3.38Å; P686-S700 PolarHBondContact O-OG 2.95Å; E687-S700 VanDerWaalsContact C-OG 3.31Å; E687-S700 PolarHBondContact O-N 3.43Å; N688-S700 VanDerWaalsContact C-OG 3.23Å; N688-S700 PolarHBondContact N-OG 3.45Å; N688-S700 PolarHBondContact O-OG 2.98Å; S700-V702 VanDerWaalsContact C-N 3.27Å; S700-V702 PolarHBondContact O-N 3.47Å; S700-R703 PolarHBondContact O-N 3.35Å |
| 701 | K | 89.8 | Confident | 89.3 | Confident | 159 Ų | 159 | 59.4 Ų | 59.4 | 69% | 0.691 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -70.5 | -19.7 | 178.2 | -66.7 | -178.2 | -179.1 | 177.4 | 0 | 113.9 | I563 S699 | I563-K701 HydrophobicContact CD1-CB 3.86Å; I563-K701 HydrophobicContact CD1-CD 4.1Å; S699-K701 PolarHBondContact O-N 3.23Å; S699-K701 PolarHBondContact OG-N 2.81Å |
| 702 | V | 91.1 | Very high | 89 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -96.2 | 1.6 | -178.7 | -53.6 | 0 | 0 | 0 | 0 | 112.6 | I563 S564 T675 I698 S699 S700 N705 D709 | I563-V702 HydrophobicContact CD1-CG1 3.93Å; I563-V702 HydrophobicContact CG1-CG1 3.97Å; S564-V702 VanDerWaalsContact OG-CG1 3.26Å; S564-V702 WeakPolarHBondContact OG-CG1 3.42Å; T675-V702 HydrophobicContact CG2-CG2 4.22Å; I698-V702 HydrophobicContact CB-CG2 4.25Å; I698-V702 HydrophobicContact CD1-CG2 3.86Å; I698-V702 HydrophobicContact CG1-CG2 4.25Å; S699-V702 WeakPolarHBondContact O-CG2 3.12Å; S699-V702 PolarHBondContact O-N 2.83Å; S699-V702 VanDerWaalsContact O-N 3.11Å; S700-V702 VanDerWaalsContact C-N 3.27Å; S700-V702 PolarHBondContact O-N 3.47Å; V702-N705 PolarHBondContact O-ND2 2.81Å; V702-N705 PolarHBondContact O-OD1 2.96Å; V702-D709 WeakPolarHBondContact CB-OD2 3.34Å; V702-D709 HydrophobicContact CG2-CB 4.08Å |
| 703 | R | 89.1 | Confident | 88.9 | Confident | 83 Ų | 83 | 61.6 Ų | 61.6 | 31% | 0.313 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 147.6 | 175.6 | -60.9 | 178.2 | 65.4 | -155.7 | -9.4 | 110.6 | F689 S700 N705 D717 | F689-R703 HydrophobicContact CB-CG 4.26Å; F689-R703 HydrophobicContact CD1-CG 4.33Å; F689-R703 HydrophobicContact CD2-CG 4.44Å; F689-R703 HydrophobicContact CG-CG 4.09Å; S700-R703 PolarHBondContact O-N 3.35Å; R703-N705 VanDerWaalsContact C-N 3.32Å; R703-D717 HydrophobicContact CG-CB 4.41Å |
| 704 | C | 87.7 | Confident | 89 | Confident | 60 Ų | 60 | 54.8 Ų | 54.8 | 41% | 0.405 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 37.1 | 173.5 | -52.2 | 0 | 0 | 0 | 0 | 113.3 | E718 C721 | C704-E718 WeakPolarHBondContact CA-OE1 3.48Å; C704-E718 WeakPolarHBondContact CA-OE2 3.2Å; C704-E718 PolarHBondContact N-OE1 2.94Å; C704-C721 WeakPolarHBondContact CA-SG 3.36Å; C704-C721 HydrophobicContact CB-CB 3.65Å; C704-C721 WeakPolarHBondContact CB-SG 3.49Å; C704-C721 WeakPolarHBondContact SG-CA 2.98Å; C704-C721 WeakPolarHBondContact SG-CB 3.38Å; C704-C721 CovalentContact SG-SG 2.02Å; C704-C721 PolarHBondContact SG-SG 3.03Å |
| 705 | N | 87.9 | Confident | 88.9 | Confident | 52 Ų | 52 | 56.2 Ų | 56.2 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -107.2 | 10.8 | 179.6 | 68.5 | -1.3 | 0 | 0 | 0 | 112.5 | V702 R703 L707 D709 E718 | V702-N705 PolarHBondContact O-ND2 2.81Å; V702-N705 PolarHBondContact O-OD1 2.96Å; R703-N705 VanDerWaalsContact C-N 3.32Å; N705-L707 PolarHBondContact O-N 3.24Å; N705-L707 WeakPolarHBondContact OD1-CA 3.45Å; N705-L707 VanDerWaalsContact OD1-CB 3.3Å; N705-L707 WeakPolarHBondContact OD1-CB 3.34Å; N705-L707 PolarHBondContact OD1-N 3.4Å; N705-L707 PolarHBondContact OD1-O 3.39Å; N705-D709 PolarHBondContact ND2-OD2 3.29Å; N705-E718 PolarHBondContact N-OE1 3.48Å; N705-E718 PolarHBondContact N-OE2 2.82Å |
| 706 | E | 85.5 | Confident | 89 | Confident | 183 Ų | 183 | 48 Ų | 48 | 86% | 0.855 | 26% | 0.26 | S | S | * | . | S | Bend | trans | 62.9 | 14.5 | -176 | -51.7 | -178.1 | 166.2 | 0 | 0 | 114.2 | E718 | E706-E718 WeakPolarHBondContact CA-OE2 3.29Å; E706-E718 PolarHBondContact N-OE2 2.87Å |
| 707 | L | 87.7 | Confident | 88.8 | Confident | 35 Ų | 35 | 47.5 Ų | 47.5 | 18% | 0.183 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -109.9 | 147 | 173.1 | -57.4 | 175.2 | 0 | 0 | 0 | 109.6 | T566 V599 N705 D709 E718 | T566-L707 HydrophobicContact CG2-CD1 4.09Å; V599-L707 HydrophobicContact CG2-CD2 4.11Å; N705-L707 PolarHBondContact O-N 3.24Å; N705-L707 WeakPolarHBondContact OD1-CA 3.45Å; N705-L707 VanDerWaalsContact OD1-CB 3.3Å; N705-L707 WeakPolarHBondContact OD1-CB 3.34Å; N705-L707 PolarHBondContact OD1-N 3.4Å; N705-L707 PolarHBondContact OD1-O 3.39Å; L707-D709 PolarHBondContact O-N 2.98Å; L707-E718 WeakPolarHBondContact O-CG 3.37Å |
| 708 | M | 87.3 | Confident | 88.7 | Confident | 107 Ų | 107 | 49 Ų | 49 | 53% | 0.527 | 26% | 0.263 | S | S | . | . | trans | -87.3 | 78.1 | 177.5 | -68.6 | 179.4 | 158.3 | 0 | 0 | 109.9 | Q597 C710 N715 | Q597-M708 PolarHBondContact OE1-O 2.81Å; M708-C710 VanDerWaalsContact C-N 3.31Å; M708-N715 HydrophobicContact CE-CB 4.46Å | ||
| 709 | D | 91.7 | Very high | 88.2 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -15.3 | -175.3 | -71.5 | -36.7 | 0 | 0 | 0 | 113.3 | L595 T675 I698 V702 N705 L707 G711 D717 | L595-D709 WeakPolarHBondContact CD2-O 3.19Å; T675-D709 WeakPolarHBondContact CB-OD1 3.32Å; T675-D709 HydrophobicContact CG2-CB 4.01Å; T675-D709 PolarHBondContact OG1-OD1 2.95Å; I698-D709 HydrophobicContact CD1-CB 3.96Å; V702-D709 WeakPolarHBondContact CB-OD2 3.34Å; V702-D709 HydrophobicContact CG2-CB 4.08Å; N705-D709 PolarHBondContact ND2-OD2 3.29Å; L707-D709 PolarHBondContact O-N 2.98Å; D709-G711 VanDerWaalsContact C-N 3.26Å; D709-G711 PolarHBondContact O-N 3.02Å; D709-D717 WeakPolarHBondContact CA-OD2 3.48Å; D709-D717 VanDerWaalsContact CB-OD2 3.26Å; D709-D717 WeakPolarHBondContact CB-OD2 3.33Å; D709-D717 PolarHBondContact N-OD2 3.46Å |
| 710 | C | 91.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -1.8 | 174.5 | -81.2 | 0 | 0 | 0 | 0 | 115 | C691 S694 M708 D714 D717 | C691-C710 HydrophobicContact CB-CB 3.65Å; C691-C710 WeakPolarHBondContact CB-SG 3.46Å; C691-C710 WeakPolarHBondContact SG-CA 3.38Å; C691-C710 WeakPolarHBondContact SG-CB 3.37Å; C691-C710 CovalentContact SG-SG 2.04Å; C691-C710 PolarHBondContact SG-SG 2.79Å; S694-C710 WeakPolarHBondContact CB-O 3.32Å; S694-C710 PolarHBondContact OG-O 2.81Å; M708-C710 VanDerWaalsContact C-N 3.31Å; C710-D714 HydrophobicContact CB-CB 3.89Å; C710-D714 WeakPolarHBondContact CB-O 3.47Å; C710-D717 PolarHBondContact N-OD2 3.48Å |
| 711 | G | 86.8 | Confident | 86.6 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | trans | 90.9 | -177.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D709 G713 D714 | D709-G711 VanDerWaalsContact C-N 3.26Å; D709-G711 PolarHBondContact O-N 3.02Å; G711-G713 PolarHBondContact O-N 2.89Å; G711-D714 PolarHBondContact O-N 2.79Å | ||
| 712 | E | 84.4 | Confident | 85.3 | Confident | 84 Ų | 84 | 65.3 Ų | 65.3 | 39% | 0.393 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 125.1 | -173.5 | -171.4 | -172 | 163.5 | 0 | 0 | 112 | R644 Q645 D714 | R644-E712 HydrophobicContact CB-CG 4.23Å; R644-E712 WeakPolarHBondContact CB-OE2 3.23Å; R644-E712 WeakPolarHBondContact CD-OE1 3.3Å; R644-E712 IonicContact CZ-OE1 3.43Å; R644-E712 IonicContact NE-OE1 3.27Å; R644-E712 IonicContact NH1-OE1 2.74Å; R644-E712 PolarHBondContact NH1-OE1 3.25Å; Q645-E712 HydrophobicContact CG-CB 4.27Å; Q645-E712 VanDerWaalsContact OE1-CB 3.26Å; E712-D714 VanDerWaalsContact C-N 3.27Å; E712-D714 PolarHBondContact O-N 2.9Å |
| 713 | G | 84.7 | Confident | 83.5 | Confident | 73 Ų | 73 | 71.1 Ų | 71.1 | 75% | 0.753 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 4.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | G711 | G711-G713 PolarHBondContact O-N 2.89Š|
| 714 | D | 89.5 | Confident | 81.6 | Confident | 3 Ų | 3 | 75.5 Ų | 75.5 | 2% | 0.016 | 39% | 0.392 | C | S | . | . | trans | -124.8 | 108.8 | 177.6 | -167.5 | -9.7 | 0 | 0 | 0 | 110.7 | C691 N692 F693 S694 C710 G711 E712 S716 | C691-D714 WeakPolarHBondContact CB-OD2 3.44Å; N692-D714 PolarHBondContact N-OD2 2.74Å; F693-D714 WeakPolarHBondContact CA-OD2 3.23Å; F693-D714 HydrophobicContact CB-CB 4Å; F693-D714 WeakPolarHBondContact CB-OD2 3.07Å; F693-D714 HydrophobicContact CD2-CB 4.41Å; F693-D714 PolarHBondContact N-OD2 2.69Å; S694-D714 PolarHBondContact N-OD2 2.75Å; S694-D714 PolarHBondContact OG-OD2 3.39Å; C710-D714 HydrophobicContact CB-CB 3.89Å; C710-D714 WeakPolarHBondContact CB-O 3.47Å; G711-D714 PolarHBondContact O-N 2.79Å; E712-D714 VanDerWaalsContact C-N 3.27Å; E712-D714 PolarHBondContact O-N 2.9Å; D714-S716 WeakPolarHBondContact OD1-CB 3.29Å; D714-S716 PolarHBondContact OD1-N 3.2Å; D714-S716 PolarHBondContact OD1-OG 3.06Å | ||
| 715 | N | 86.8 | Confident | 79.6 | Confident | 71 Ų | 71 | 75.5 Ų | 75.5 | 38% | 0.38 | 39% | 0.39 | S | S | . | . | trans | -110.3 | 26.8 | 176.7 | 67.4 | -12.4 | 0 | 0 | 0 | 112.3 | M708 D717 E718 F719 | M708-N715 HydrophobicContact CE-CB 4.46Å; N715-D717 WeakPolarHBondContact CA-OD1 3.41Å; N715-D717 PolarHBondContact O-N 2.95Å; N715-E718 PolarHBondContact O-N 2.98Å; N715-F719 PolarHBondContact O-N 2.97Å | ||
| 716 | S | 89.4 | Confident | 77.5 | Confident | 18 Ų | 18 | 76.2 Ų | 76.2 | 13% | 0.126 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -29.6 | -174.8 | -64.2 | 0 | 0 | 0 | 0 | 114 | F689 N692 D714 E718 | F689-S716 WeakPolarHBondContact CZ-O 3.43Å; N692-S716 WeakPolarHBondContact CB-OG 3.4Å; N692-S716 PolarHBondContact N-OG 3.33Å; D714-S716 WeakPolarHBondContact OD1-CB 3.29Å; D714-S716 PolarHBondContact OD1-N 3.2Å; D714-S716 PolarHBondContact OD1-OG 3.06Å; S716-E718 VanDerWaalsContact C-N 3.31Å |
| 717 | D | 88 | Confident | 75.8 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -36.7 | 172.4 | 50 | -20.6 | 0 | 0 | 0 | 112.5 | F689 I698 R703 D709 C710 N715 | F689-D717 HydrophobicContact CD1-CB 4.41Å; F689-D717 HydrophobicContact CE1-CB 4.01Å; I698-D717 HydrophobicContact CD1-CB 4.17Å; R703-D717 HydrophobicContact CG-CB 4.41Å; D709-D717 WeakPolarHBondContact CA-OD2 3.48Å; D709-D717 VanDerWaalsContact CB-OD2 3.26Å; D709-D717 WeakPolarHBondContact CB-OD2 3.33Å; D709-D717 PolarHBondContact N-OD2 3.46Å; C710-D717 PolarHBondContact N-OD2 3.48Å; N715-D717 WeakPolarHBondContact CA-OD1 3.41Å; N715-D717 PolarHBondContact O-N 2.95Å |
| 718 | E | 89.6 | Confident | 74.1 | Confident | 43 Ų | 43 | 80.5 Ų | 80.5 | 20% | 0.201 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -23.3 | -176.6 | -60.9 | -54.8 | 111.1 | 0 | 0 | 114.3 | C704 N705 E706 L707 N715 S716 K720 C721 | C704-E718 WeakPolarHBondContact CA-OE1 3.48Å; C704-E718 WeakPolarHBondContact CA-OE2 3.2Å; C704-E718 PolarHBondContact N-OE1 2.94Å; N705-E718 PolarHBondContact N-OE1 3.48Å; N705-E718 PolarHBondContact N-OE2 2.82Å; E706-E718 WeakPolarHBondContact CA-OE2 3.29Å; E706-E718 PolarHBondContact N-OE2 2.87Å; L707-E718 WeakPolarHBondContact O-CG 3.37Å; N715-E718 PolarHBondContact O-N 2.98Å; S716-E718 VanDerWaalsContact C-N 3.31Å; E718-K720 VanDerWaalsContact C-N 3.27Å; E718-K720 PolarHBondContact O-N 2.79Å; E718-C721 VanDerWaalsContact CA-SG 3.58Å; E718-C721 PolarHBondContact O-N 2.93Å; E718-C721 PolarHBondContact O-SG 2.88Å |
| 719 | F | 82.5 | Confident | 72.3 | Confident | 160 Ų | 160 | 79.4 Ų | 79.4 | 70% | 0.702 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -22.1 | -172.5 | -169 | -99.4 | 0 | 0 | 0 | 114.5 | N715 | N715-F719 PolarHBondContact O-N 2.97Š|
| 720 | K | 73.5 | Confident | 70.3 | Confident | 165 Ų | 165 | 85.1 Ų | 85.1 | 72% | 0.717 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.3 | 42.1 | -179.2 | -69.9 | -171.2 | 179.4 | 178.6 | 0 | 112.8 | E718 | E718-K720 VanDerWaalsContact C-N 3.27Å; E718-K720 PolarHBondContact O-N 2.79Å |
| 721 | C | 73.9 | Confident | 68.5 | Low | 38 Ų | 38 | 89 Ų | 89 | 26% | 0.257 | 46% | 0.463 | S | S | . | . | trans | -84.1 | 124.1 | 173.8 | -61.7 | 0 | 0 | 0 | 0 | 109.5 | C704 E718 V723 | C704-C721 WeakPolarHBondContact CA-SG 3.36Å; C704-C721 HydrophobicContact CB-CB 3.65Å; C704-C721 WeakPolarHBondContact CB-SG 3.49Å; C704-C721 WeakPolarHBondContact SG-CA 2.98Å; C704-C721 WeakPolarHBondContact SG-CB 3.38Å; C704-C721 CovalentContact SG-SG 2.02Å; C704-C721 PolarHBondContact SG-SG 3.03Å; E718-C721 VanDerWaalsContact CA-SG 3.58Å; E718-C721 PolarHBondContact O-N 2.93Å; E718-C721 PolarHBondContact O-SG 2.88Å; C721-V723 PolarHBondContact O-N 2.54Å | ||
| 722 | K | 63 | Low | 66.9 | Low | 190 Ų | 190 | 95.4 Ų | 95.4 | 83% | 0.826 | 49% | 0.494 | S | S | * | . | trans | -61.2 | 116.7 | 163.7 | -72 | -177.8 | -179 | 178 | 0 | 104.6 | E724 | K722-E724 PolarHBondContact O-N 2.84Š| ||
| 723 | V | 53.9 | Low | 65.6 | Low | 126 Ų | 126 | 96.5 Ų | 96.5 | 76% | 0.764 | 50% | 0.501 | S | S | * | . | trans | -63.1 | 89.8 | 163.8 | -175.8 | 0 | 0 | 0 | 0 | 104.7 | C721 T725 | C721-V723 PolarHBondContact O-N 2.54Å; V723-T725 HydrophobicContact CG1-CG2 3.97Å; V723-T725 PolarHBondContact O-N 3.42Å | ||
| 724 | E | 48.3 | Very low | 64.5 | Low | 175 Ų | 175 | 95.9 Ų | 95.9 | 82% | 0.818 | 49% | 0.485 | S | S | * | . | trans | -65.4 | 84.3 | 153 | -72.2 | -173.6 | 177.7 | 0 | 0 | 104 | K722 S726 | K722-E724 PolarHBondContact O-N 2.84Å; E724-S726 VanDerWaalsContact C-N 3.35Å; E724-S726 PolarHBondContact O-N 3.01Å | ||
| 725 | T | 45.3 | Very low | 63.3 | Low | 60 Ų | 60 | 100.1 Ų | 100.1 | 37% | 0.368 | 51% | 0.511 | S | S | . | . | trans | -45.2 | 115.2 | 151 | 51.4 | 0 | 0 | 0 | 0 | 103.8 | V723 E727 | V723-T725 HydrophobicContact CG1-CG2 3.97Å; V723-T725 PolarHBondContact O-N 3.42Å; T725-E727 PolarHBondContact O-N 2.89Å | ||
| 726 | S | 43.7 | Very low | 62.5 | Low | 66 Ų | 66 | 98.6 Ų | 98.6 | 46% | 0.462 | 51% | 0.512 | S | S | . | . | trans | -43.6 | 136.6 | 173.8 | 57.5 | 0 | 0 | 0 | 0 | 107.7 | E724 E728 D729 | E724-S726 VanDerWaalsContact C-N 3.35Å; E724-S726 PolarHBondContact O-N 3.01Å; S726-E728 PolarHBondContact O-N 2.85Å; S726-D729 PolarHBondContact O-N 3.37Å | ||
| 727 | E | 51.3 | Low | 61.8 | Low | 154 Ų | 154 | 102.2 Ų | 102.2 | 72% | 0.72 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.1 | -8.5 | -179.3 | -77.9 | -145 | 136.1 | 0 | 0 | 113.3 | T725 K730 T731 | T725-E727 PolarHBondContact O-N 2.89Å; E727-K730 PolarHBondContact O-N 3.19Å; E727-T731 PolarHBondContact O-N 3.36Å; E727-T731 PolarHBondContact O-OG1 3Å |
| 728 | E | 50 | Low | 61.1 | Low | 154 Ų | 154 | 105.9 Ų | 105.9 | 72% | 0.72 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.8 | -31.7 | 169.7 | -64.3 | -170.2 | 154.4 | 0 | 0 | 112.9 | S726 T731 M732 | S726-E728 PolarHBondContact O-N 2.85Å; E728-T731 PolarHBondContact O-OG1 2.82Å; E728-M732 PolarHBondContact O-N 2.98Å; E728-M732 VanDerWaalsContact O-N 3.16Å |
| 729 | D | 49.8 | Very low | 60.5 | Low | 85 Ų | 85 | 106 Ų | 106 | 46% | 0.455 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -79.5 | -29.9 | 176.1 | -88.3 | -15.5 | 0 | 0 | 0 | 112.8 | S726 M732 I733 | S726-D729 PolarHBondContact O-N 3.37Å; D729-M732 PolarHBondContact O-N 2.95Å; D729-I733 WeakPolarHBondContact O-CB 3.39Å; D729-I733 VanDerWaalsContact O-CG1 3.25Å; D729-I733 WeakPolarHBondContact O-CG1 3.31Å; D729-I733 PolarHBondContact O-N 2.89Å |
| 730 | K | 49.6 | Very low | 60.3 | Low | 120 Ų | 120 | 100.7 Ų | 100.7 | 52% | 0.522 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70 | -34.3 | 174.9 | -75.4 | -178.1 | -177.8 | 167.8 | 0 | 111.9 | E727 S734 | E727-K730 PolarHBondContact O-N 3.19Å; K730-S734 VanDerWaalsContact O-CB 3.24Å; K730-S734 WeakPolarHBondContact O-CB 3.46Å; K730-S734 PolarHBondContact O-N 3.41Å; K730-S734 PolarHBondContact O-OG 2.03Å |
| 731 | T | 53.8 | Low | 60.7 | Low | 82 Ų | 82 | 97 Ų | 97 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.4 | -39.2 | 171.9 | 52.7 | 0 | 0 | 0 | 0 | 111 | E727 E728 S734 V735 | E727-T731 PolarHBondContact O-N 3.36Å; E727-T731 PolarHBondContact O-OG1 3Å; E728-T731 PolarHBondContact O-OG1 2.82Å; T731-S734 WeakPolarHBondContact CA-OG 3.33Å; T731-S734 PolarHBondContact O-N 2.91Å; T731-S734 PolarHBondContact O-OG 3.48Å; T731-S734 VanDerWaalsContact O-OG 3.04Å; T731-V735 VanDerWaalsContact O-CB 3.3Å; T731-V735 WeakPolarHBondContact O-CB 3.18Å; T731-V735 WeakPolarHBondContact O-CG2 3.29Å; T731-V735 PolarHBondContact O-N 3.28Å |
| 732 | M | 53.3 | Low | 61 | Low | 136 Ų | 136 | 99.8 Ų | 99.8 | 67% | 0.67 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.8 | -38.5 | 176.5 | -129.5 | -166.2 | 71.3 | 0 | 0 | 113.6 | E728 D729 G736 | E728-M732 PolarHBondContact O-N 2.98Å; E728-M732 VanDerWaalsContact O-N 3.16Å; D729-M732 PolarHBondContact O-N 2.95Å; M732-G736 PolarHBondContact O-N 3.19Å |
| 733 | I | 58.1 | Low | 62 | Low | 107 Ų | 107 | 94.5 Ų | 94.5 | 55% | 0.549 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.8 | -39 | 175.7 | -65.9 | 167.6 | 0 | 0 | 0 | 111 | D729 G736 I737 | D729-I733 WeakPolarHBondContact O-CB 3.39Å; D729-I733 VanDerWaalsContact O-CG1 3.25Å; D729-I733 WeakPolarHBondContact O-CG1 3.31Å; D729-I733 PolarHBondContact O-N 2.89Å; I733-G736 PolarHBondContact O-N 2.75Å; I733-I737 HydrophobicContact CG2-CD1 3.75Å; I733-I737 HydrophobicContact CG2-CG1 4.35Å; I733-I737 WeakPolarHBondContact O-CB 3.43Å; I733-I737 VanDerWaalsContact O-CG1 3.26Å; I733-I737 WeakPolarHBondContact O-CG1 3.17Å; I733-I737 PolarHBondContact O-N 3.37Å |
| 734 | S | 60.2 | Low | 63.3 | Low | 60 Ų | 60 | 93.6 Ų | 93.6 | 42% | 0.42 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.7 | -37 | 176.3 | 60.2 | 0 | 0 | 0 | 0 | 112.9 | K730 T731 G736 T738 | K730-S734 VanDerWaalsContact O-CB 3.24Å; K730-S734 WeakPolarHBondContact O-CB 3.46Å; K730-S734 PolarHBondContact O-N 3.41Å; K730-S734 PolarHBondContact O-OG 2.03Å; T731-S734 WeakPolarHBondContact CA-OG 3.33Å; T731-S734 PolarHBondContact O-N 2.91Å; T731-S734 PolarHBondContact O-OG 3.48Å; T731-S734 VanDerWaalsContact O-OG 3.04Å; S734-G736 VanDerWaalsContact C-N 3.34Å; S734-T738 WeakPolarHBondContact O-CB 3.34Å; S734-T738 VanDerWaalsContact O-CG2 3.29Å; S734-T738 WeakPolarHBondContact O-CG2 3.12Å; S734-T738 PolarHBondContact O-N 2.82Å; S734-T738 PolarHBondContact O-OG1 3.34Å |
| 735 | V | 66 | Low | 65 | Low | 92 Ų | 92 | 90.1 Ų | 90.1 | 56% | 0.558 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.9 | -39.8 | 169.6 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | T731 T738 A739 | T731-V735 VanDerWaalsContact O-CB 3.3Å; T731-V735 WeakPolarHBondContact O-CB 3.18Å; T731-V735 WeakPolarHBondContact O-CG2 3.29Å; T731-V735 PolarHBondContact O-N 3.28Å; V735-T738 WeakPolarHBondContact CA-OG1 3.48Å; V735-T738 PolarHBondContact O-OG1 3.38Å; V735-T738 VanDerWaalsContact O-OG1 3.12Å; V735-A739 WeakPolarHBondContact O-CB 3.44Å; V735-A739 PolarHBondContact O-N 2.59Å |
| 736 | G | 70.1 | Confident | 66.7 | Low | 39 Ų | 39 | 91.9 Ų | 91.9 | 40% | 0.402 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | M732 I733 S734 A740 | M732-G736 PolarHBondContact O-N 3.19Å; I733-G736 PolarHBondContact O-N 2.75Å; S734-G736 VanDerWaalsContact C-N 3.34Å; G736-A740 VanDerWaalsContact O-CB 3.23Å; G736-A740 WeakPolarHBondContact O-CB 3.45Å; G736-A740 PolarHBondContact O-N 2.84Å |
| 737 | I | 74.2 | Confident | 68.5 | Low | 95 Ų | 95 | 93.8 Ų | 93.8 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.8 | -42.6 | 178.4 | -67.8 | 167.5 | 0 | 0 | 0 | 110.9 | I733 A740 I741 | I733-I737 HydrophobicContact CG2-CD1 3.75Å; I733-I737 HydrophobicContact CG2-CG1 4.35Å; I733-I737 WeakPolarHBondContact O-CB 3.43Å; I733-I737 VanDerWaalsContact O-CG1 3.26Å; I733-I737 WeakPolarHBondContact O-CG1 3.17Å; I733-I737 PolarHBondContact O-N 3.37Å; I737-A740 PolarHBondContact O-N 3.28Å; I737-I741 HydrophobicContact CG2-CD1 3.78Å; I737-I741 HydrophobicContact CG2-CG1 4.42Å; I737-I741 WeakPolarHBondContact O-CB 3.02Å; I737-I741 VanDerWaalsContact O-CG1 3.26Å; I737-I741 WeakPolarHBondContact O-CG1 3.48Å; I737-I741 PolarHBondContact O-N 2.67Å |
| 738 | T | 73.7 | Confident | 69.9 | Low | 76 Ų | 76 | 88.6 Ų | 88.6 | 47% | 0.466 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.6 | -41.1 | 177.6 | 51.3 | 0 | 0 | 0 | 0 | 111.7 | S734 V735 I741 I742 | S734-T738 WeakPolarHBondContact O-CB 3.34Å; S734-T738 VanDerWaalsContact O-CG2 3.29Å; S734-T738 WeakPolarHBondContact O-CG2 3.12Å; S734-T738 PolarHBondContact O-N 2.82Å; S734-T738 PolarHBondContact O-OG1 3.34Å; V735-T738 WeakPolarHBondContact CA-OG1 3.48Å; V735-T738 PolarHBondContact O-OG1 3.38Å; V735-T738 VanDerWaalsContact O-OG1 3.12Å; T738-I741 PolarHBondContact O-N 2.73Å; T738-I742 WeakPolarHBondContact O-CB 3.45Å; T738-I742 VanDerWaalsContact O-CG1 3.23Å; T738-I742 WeakPolarHBondContact O-CG1 3.16Å; T738-I742 PolarHBondContact O-N 2.74Å |
| 739 | A | 76.8 | Confident | 71.3 | Confident | 47 Ų | 47 | 84.1 Ų | 84.1 | 39% | 0.388 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | V735 I742 V743 | V735-A739 WeakPolarHBondContact O-CB 3.44Å; V735-A739 PolarHBondContact O-N 2.59Å; A739-I742 PolarHBondContact O-N 3.47Å; A739-V743 WeakPolarHBondContact O-CB 3.39Å; A739-V743 VanDerWaalsContact O-CG2 3.22Å; A739-V743 WeakPolarHBondContact O-CG2 3.09Å; A739-V743 PolarHBondContact O-N 2.6Å |
| 740 | A | 77.6 | Confident | 72.7 | Confident | 47 Ų | 47 | 83.5 Ų | 83.5 | 39% | 0.388 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G736 I737 V743 I744 | G736-A740 VanDerWaalsContact O-CB 3.23Å; G736-A740 WeakPolarHBondContact O-CB 3.45Å; G736-A740 PolarHBondContact O-N 2.84Å; I737-A740 PolarHBondContact O-N 3.28Å; A740-V743 PolarHBondContact O-N 2.8Å; A740-I744 WeakPolarHBondContact O-CB 3.39Å; A740-I744 WeakPolarHBondContact O-CG1 3.46Å; A740-I744 PolarHBondContact O-N 2.89Å |
| 741 | I | 81.9 | Confident | 74 | Confident | 87 Ų | 87 | 80.5 Ų | 80.5 | 45% | 0.446 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 176.1 | -69.7 | 168 | 0 | 0 | 0 | 110.8 | I737 T738 V743 I744 I745 | I737-I741 HydrophobicContact CG2-CD1 3.78Å; I737-I741 HydrophobicContact CG2-CG1 4.42Å; I737-I741 WeakPolarHBondContact O-CB 3.02Å; I737-I741 VanDerWaalsContact O-CG1 3.26Å; I737-I741 WeakPolarHBondContact O-CG1 3.48Å; I737-I741 PolarHBondContact O-N 2.67Å; T738-I741 PolarHBondContact O-N 2.73Å; I741-V743 VanDerWaalsContact C-N 3.34Å; I741-V743 PolarHBondContact O-N 2.96Å; I741-I744 PolarHBondContact O-N 2.82Å; I741-I745 HydrophobicContact CG2-CD1 3.73Å; I741-I745 HydrophobicContact CG2-CG1 4.33Å; I741-I745 WeakPolarHBondContact O-CB 3.31Å; I741-I745 VanDerWaalsContact O-CG1 3.26Å; I741-I745 WeakPolarHBondContact O-CG1 3.48Å; I741-I745 PolarHBondContact O-N 2.91Å |
| 742 | I | 81.5 | Confident | 75.1 | Confident | 98 Ų | 98 | 82.1 Ų | 82.1 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 176.5 | -69.6 | 166.6 | 0 | 0 | 0 | 110.3 | T738 A739 I745 I746 | T738-I742 WeakPolarHBondContact O-CB 3.45Å; T738-I742 VanDerWaalsContact O-CG1 3.23Å; T738-I742 WeakPolarHBondContact O-CG1 3.16Å; T738-I742 PolarHBondContact O-N 2.74Å; A739-I742 PolarHBondContact O-N 3.47Å; I742-I745 PolarHBondContact O-N 2.82Å; I742-I746 HydrophobicContact CG2-CD1 3.73Å; I742-I746 HydrophobicContact CG2-CG1 4.39Å; I742-I746 WeakPolarHBondContact O-CB 3.36Å; I742-I746 VanDerWaalsContact O-CG1 3.25Å; I742-I746 WeakPolarHBondContact O-CG1 3.32Å; I742-I746 PolarHBondContact O-N 2.79Å |
| 743 | V | 82 | Confident | 76.2 | Confident | 78 Ų | 78 | 77.1 Ų | 77.1 | 47% | 0.473 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 175.7 | 171.1 | 0 | 0 | 0 | 0 | 111 | A739 A740 I741 I746 L747 | A739-V743 WeakPolarHBondContact O-CB 3.39Å; A739-V743 VanDerWaalsContact O-CG2 3.22Å; A739-V743 WeakPolarHBondContact O-CG2 3.09Å; A739-V743 PolarHBondContact O-N 2.6Å; A740-V743 PolarHBondContact O-N 2.8Å; I741-V743 VanDerWaalsContact C-N 3.34Å; I741-V743 PolarHBondContact O-N 2.96Å; V743-I746 PolarHBondContact O-N 3.13Å; V743-L747 HydrophobicContact CG1-CD1 3.78Å; V743-L747 HydrophobicContact CG1-CG 4.25Å; V743-L747 VanDerWaalsContact O-CB 3.28Å; V743-L747 WeakPolarHBondContact O-CB 3.28Å; V743-L747 VanDerWaalsContact O-CG 3.23Å; V743-L747 WeakPolarHBondContact O-CG 3.49Å; V743-L747 PolarHBondContact O-N 2.8Å |
| 744 | I | 82.8 | Confident | 77.1 | Confident | 107 Ų | 107 | 75.1 Ų | 75.1 | 55% | 0.549 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.5 | -40 | 175.5 | -70.4 | 165.6 | 0 | 0 | 0 | 111 | A740 I741 L747 A748 | A740-I744 WeakPolarHBondContact O-CB 3.39Å; A740-I744 WeakPolarHBondContact O-CG1 3.46Å; A740-I744 PolarHBondContact O-N 2.89Å; I741-I744 PolarHBondContact O-N 2.82Å; I744-L747 PolarHBondContact O-N 2.83Å; I744-A748 WeakPolarHBondContact O-CB 3.24Å; I744-A748 PolarHBondContact O-N 2.96Å |
| 745 | I | 83.2 | Confident | 77.7 | Confident | 103 Ų | 103 | 79.9 Ų | 79.9 | 53% | 0.528 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.8 | -41.6 | 176.5 | -69.8 | 169.2 | 0 | 0 | 0 | 110.7 | I741 I742 A748 A749 | I741-I745 HydrophobicContact CG2-CD1 3.73Å; I741-I745 HydrophobicContact CG2-CG1 4.33Å; I741-I745 WeakPolarHBondContact O-CB 3.31Å; I741-I745 VanDerWaalsContact O-CG1 3.26Å; I741-I745 WeakPolarHBondContact O-CG1 3.48Å; I741-I745 PolarHBondContact O-N 2.91Å; I742-I745 PolarHBondContact O-N 2.82Å; I745-A748 PolarHBondContact O-N 2.87Å; I745-A749 WeakPolarHBondContact O-CB 3.33Å; I745-A749 PolarHBondContact O-N 3.31Å |
| 746 | I | 81.9 | Confident | 78 | Confident | 97 Ų | 97 | 84.9 Ų | 84.9 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 175.6 | -68.1 | 168.3 | 0 | 0 | 0 | 110.3 | I742 V743 A749 T750 | I742-I746 HydrophobicContact CG2-CD1 3.73Å; I742-I746 HydrophobicContact CG2-CG1 4.39Å; I742-I746 WeakPolarHBondContact O-CB 3.36Å; I742-I746 VanDerWaalsContact O-CG1 3.25Å; I742-I746 WeakPolarHBondContact O-CG1 3.32Å; I742-I746 PolarHBondContact O-N 2.79Å; V743-I746 PolarHBondContact O-N 3.13Å; I746-A749 PolarHBondContact O-N 2.83Å; I746-T750 HydrophobicContact CG2-CG2 4.28Å; I746-T750 VanDerWaalsContact O-CB 3.32Å; I746-T750 WeakPolarHBondContact O-CB 3.45Å; I746-T750 VanDerWaalsContact O-CG2 3.22Å; I746-T750 WeakPolarHBondContact O-CG2 3.39Å; I746-T750 PolarHBondContact O-N 3.27Å; I746-T750 PolarHBondContact O-OG1 2.88Å |
| 747 | L | 81.2 | Confident | 77.9 | Confident | 106 Ų | 106 | 89.9 Ų | 89.9 | 56% | 0.555 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65 | -38.7 | 175 | -74.4 | 172.5 | 0 | 0 | 0 | 111.6 | V743 I744 T750 A751 | V743-L747 HydrophobicContact CG1-CD1 3.78Å; V743-L747 HydrophobicContact CG1-CG 4.25Å; V743-L747 VanDerWaalsContact O-CB 3.28Å; V743-L747 WeakPolarHBondContact O-CB 3.28Å; V743-L747 VanDerWaalsContact O-CG 3.23Å; V743-L747 WeakPolarHBondContact O-CG 3.49Å; V743-L747 PolarHBondContact O-N 2.8Å; I744-L747 PolarHBondContact O-N 2.83Å; L747-T750 VanDerWaalsContact CA-OG1 3.32Å; L747-T750 WeakPolarHBondContact CA-OG1 3.46Å; L747-T750 PolarHBondContact O-OG1 2.96Å; L747-A751 WeakPolarHBondContact O-CB 3.19Å; L747-A751 PolarHBondContact O-N 3.05Å |
| 748 | A | 80.7 | Confident | 77.7 | Confident | 45 Ų | 45 | 93.3 Ų | 93.3 | 37% | 0.372 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.9 | -43.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I744 I745 A751 I752 | I744-A748 WeakPolarHBondContact O-CB 3.24Å; I744-A748 PolarHBondContact O-N 2.96Å; I745-A748 PolarHBondContact O-N 2.87Å; A748-A751 PolarHBondContact O-N 2.92Å; A748-I752 VanDerWaalsContact O-CB 3.28Å; A748-I752 WeakPolarHBondContact O-CB 3.34Å; A748-I752 WeakPolarHBondContact O-CD1 3.45Å; A748-I752 WeakPolarHBondContact O-CG1 3.27Å; A748-I752 PolarHBondContact O-N 3.06Å |
| 749 | A | 79.3 | Confident | 77.5 | Confident | 59 Ų | 59 | 97.7 Ų | 97.7 | 49% | 0.488 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66 | -41.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I745 I746 G753 | I745-A749 WeakPolarHBondContact O-CB 3.33Å; I745-A749 PolarHBondContact O-N 3.31Å; I746-A749 PolarHBondContact O-N 2.83Å; A749-G753 PolarHBondContact O-N 2.97Å |
| 750 | T | 77.9 | Confident | 77.1 | Confident | 73 Ų | 73 | 101 Ų | 101 | 45% | 0.448 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.3 | -40.4 | 173.7 | 54.2 | 0 | 0 | 0 | 0 | 111.2 | I746 L747 G753 V754 | I746-T750 HydrophobicContact CG2-CG2 4.28Å; I746-T750 VanDerWaalsContact O-CB 3.32Å; I746-T750 WeakPolarHBondContact O-CB 3.45Å; I746-T750 VanDerWaalsContact O-CG2 3.22Å; I746-T750 WeakPolarHBondContact O-CG2 3.39Å; I746-T750 PolarHBondContact O-N 3.27Å; I746-T750 PolarHBondContact O-OG1 2.88Å; L747-T750 VanDerWaalsContact CA-OG1 3.32Å; L747-T750 WeakPolarHBondContact CA-OG1 3.46Å; L747-T750 PolarHBondContact O-OG1 2.96Å; T750-G753 PolarHBondContact O-N 3.45Å; T750-V754 VanDerWaalsContact O-CB 3.32Å; T750-V754 WeakPolarHBondContact O-CB 3.33Å; T750-V754 WeakPolarHBondContact O-CG2 3.34Å; T750-V754 PolarHBondContact O-N 3.42Å |
| 751 | A | 77.1 | Confident | 76.7 | Confident | 56 Ų | 56 | 107 Ų | 107 | 46% | 0.463 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L747 A748 K755 | L747-A751 WeakPolarHBondContact O-CB 3.19Å; L747-A751 PolarHBondContact O-N 3.05Å; A748-A751 PolarHBondContact O-N 2.92Å; A751-K755 WeakPolarHBondContact O-CB 3.22Å; A751-K755 PolarHBondContact O-N 2.85Å |
| 752 | I | 78.3 | Confident | 76.1 | Confident | 116 Ų | 116 | 110.7 Ų | 110.7 | 60% | 0.595 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65 | -43.1 | 174.2 | -69.6 | 163.9 | 0 | 0 | 0 | 110 | A748 K755 R756 | A748-I752 VanDerWaalsContact O-CB 3.28Å; A748-I752 WeakPolarHBondContact O-CB 3.34Å; A748-I752 WeakPolarHBondContact O-CD1 3.45Å; A748-I752 WeakPolarHBondContact O-CG1 3.27Å; A748-I752 PolarHBondContact O-N 3.06Å; I752-K755 PolarHBondContact O-N 3.04Å; I752-R756 VanDerWaalsContact O-CB 3.26Å; I752-R756 WeakPolarHBondContact O-CB 3.39Å; I752-R756 PolarHBondContact O-N 2.94Å |
| 753 | G | 75 | Confident | 75.5 | Confident | 32 Ų | 32 | 108.8 Ų | 108.8 | 33% | 0.33 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.5 | -47.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A749 T750 R756 Q757 | A749-G753 PolarHBondContact O-N 2.97Å; T750-G753 PolarHBondContact O-N 3.45Å; G753-R756 PolarHBondContact O-N 3.22Å; G753-Q757 WeakPolarHBondContact O-CB 3.48Å; G753-Q757 PolarHBondContact O-N 2.63Å |
| 754 | V | 77.4 | Confident | 74.8 | Confident | 65 Ų | 65 | 114 Ų | 114 | 39% | 0.394 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.5 | -40.1 | 175.7 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | T750 Q757 R758 | T750-V754 VanDerWaalsContact O-CB 3.32Å; T750-V754 WeakPolarHBondContact O-CB 3.33Å; T750-V754 WeakPolarHBondContact O-CG2 3.34Å; T750-V754 PolarHBondContact O-N 3.42Å; V754-Q757 PolarHBondContact O-N 2.77Å; V754-R758 HydrophobicContact CG1-CG 4.31Å; V754-R758 VanDerWaalsContact O-CB 3.29Å; V754-R758 WeakPolarHBondContact O-CB 3.25Å; V754-R758 VanDerWaalsContact O-CG 3.27Å; V754-R758 WeakPolarHBondContact O-CG 3.2Å; V754-R758 PolarHBondContact O-N 3.21Å |
| 755 | K | 73.1 | Confident | 74.1 | Confident | 160 Ų | 160 | 113.6 Ų | 113.6 | 70% | 0.696 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.8 | -36.8 | 177.4 | -155.5 | 175.4 | -169.3 | 178.7 | 0 | 111.1 | A751 I752 K759 | A751-K755 WeakPolarHBondContact O-CB 3.22Å; A751-K755 PolarHBondContact O-N 2.85Å; I752-K755 PolarHBondContact O-N 3.04Å; K755-K759 WeakPolarHBondContact O-CB 3.31Å; K755-K759 PolarHBondContact O-N 3.14Å |
| 756 | R | 72.2 | Confident | 73.4 | Confident | 196 Ų | 196 | 117.6 Ų | 117.6 | 74% | 0.74 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68.4 | -43.7 | 174.3 | -162.6 | 175.6 | -174.7 | -179.1 | 1.5 | 111.3 | I752 G753 K759 M760 | I752-R756 VanDerWaalsContact O-CB 3.26Å; I752-R756 WeakPolarHBondContact O-CB 3.39Å; I752-R756 PolarHBondContact O-N 2.94Å; G753-R756 PolarHBondContact O-N 3.22Å; R756-K759 PolarHBondContact O-N 2.73Å; R756-M760 VanDerWaalsContact O-CG 3.3Å; R756-M760 WeakPolarHBondContact O-CG 3.43Å; R756-M760 PolarHBondContact O-N 2.86Å |
| 757 | Q | 68.8 | Low | 72.8 | Confident | 145 Ų | 145 | 118.3 Ų | 118.3 | 68% | 0.678 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.3 | -42 | 173.1 | -79.7 | -167 | -17.4 | 0 | 0 | 112.4 | G753 V754 K759 M760 R761 | G753-Q757 WeakPolarHBondContact O-CB 3.48Å; G753-Q757 PolarHBondContact O-N 2.63Å; V754-Q757 PolarHBondContact O-N 2.77Å; Q757-K759 PolarHBondContact O-N 3.03Å; Q757-M760 PolarHBondContact O-N 3.15Å; Q757-R761 WeakPolarHBondContact O-CB 3.4Å; Q757-R761 PolarHBondContact O-N 3.45Å |
| 758 | R | 69.5 | Low | 72.2 | Confident | 166 Ų | 166 | 116 Ų | 116 | 63% | 0.626 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.5 | -39.2 | 175.3 | -77 | 178 | 178.4 | -179.2 | 0.9 | 111.9 | V754 R762 | V754-R758 HydrophobicContact CG1-CG 4.31Å; V754-R758 VanDerWaalsContact O-CB 3.29Å; V754-R758 WeakPolarHBondContact O-CB 3.25Å; V754-R758 VanDerWaalsContact O-CG 3.27Å; V754-R758 WeakPolarHBondContact O-CG 3.2Å; V754-R758 PolarHBondContact O-N 3.21Å; R758-R762 WeakPolarHBondContact O-CB 3.39Å; R758-R762 VanDerWaalsContact O-CG 3.29Å; R758-R762 WeakPolarHBondContact O-CG 3.4Å; R758-R762 PolarHBondContact O-N 3.36Å |
| 759 | K | 69.6 | Low | 71.5 | Confident | 169 Ų | 169 | 118.8 Ų | 118.8 | 74% | 0.735 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.4 | -45.4 | 172.9 | -108.8 | -174.8 | 175 | -176.3 | 0 | 111.5 | K755 R756 Q757 R762 A763 | K755-K759 WeakPolarHBondContact O-CB 3.31Å; K755-K759 PolarHBondContact O-N 3.14Å; R756-K759 PolarHBondContact O-N 2.73Å; Q757-K759 PolarHBondContact O-N 3.03Å; K759-R762 PolarHBondContact O-N 3.47Å; K759-A763 WeakPolarHBondContact O-CB 3.44Å; K759-A763 PolarHBondContact O-N 3.24Å |
| 760 | M | 67.8 | Low | 70.9 | Confident | 115 Ų | 115 | 125 Ų | 125 | 57% | 0.567 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.8 | -40.1 | 177.6 | -73 | -77.2 | -78.2 | 0 | 0 | 112.2 | R756 Q757 A763 R764 | R756-M760 VanDerWaalsContact O-CG 3.3Å; R756-M760 WeakPolarHBondContact O-CG 3.43Å; R756-M760 PolarHBondContact O-N 2.86Å; Q757-M760 PolarHBondContact O-N 3.15Å; M760-A763 PolarHBondContact O-N 3.32Å; M760-R764 PolarHBondContact O-N 3.43Å |
| 761 | R | 69.8 | Low | 70.4 | Confident | 175 Ų | 175 | 126.7 Ų | 126.7 | 66% | 0.66 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.7 | -44.9 | 177.9 | -161.5 | 174.5 | 178.5 | 171.6 | 2.7 | 111.7 | Q757 A763 R764 E765 | Q757-R761 WeakPolarHBondContact O-CB 3.4Å; Q757-R761 PolarHBondContact O-N 3.45Å; R761-A763 VanDerWaalsContact C-N 3.29Å; R761-A763 PolarHBondContact O-N 3.29Å; R761-R764 PolarHBondContact O-N 3.27Å; R761-E765 IonicContact NE-OE1 3.1Å; R761-E765 PolarHBondContact O-N 2.55Å |
| 762 | R | 69 | Low | 69.8 | Low | 163 Ų | 163 | 129.8 Ų | 129.8 | 62% | 0.615 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63 | -33.1 | 173.6 | -72.8 | 176.9 | 179.8 | -175.3 | -0.6 | 112.8 | R758 K759 R766 | R758-R762 WeakPolarHBondContact O-CB 3.39Å; R758-R762 VanDerWaalsContact O-CG 3.29Å; R758-R762 WeakPolarHBondContact O-CG 3.4Å; R758-R762 PolarHBondContact O-N 3.36Å; K759-R762 PolarHBondContact O-N 3.47Å; R762-R766 WeakPolarHBondContact O-CB 3.47Å; R762-R766 VanDerWaalsContact O-CG 3.24Å; R762-R766 WeakPolarHBondContact O-CG 3.32Å; R762-R766 PolarHBondContact O-N 2.91Å; R762-R766 VanDerWaalsContact O-N 3.11Å |
| 763 | A | 67.9 | Low | 69.1 | Low | 59 Ų | 59 | 129.6 Ų | 129.6 | 49% | 0.488 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -69.7 | -41.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K759 M760 R761 R766 L767 | K759-A763 WeakPolarHBondContact O-CB 3.44Å; K759-A763 PolarHBondContact O-N 3.24Å; M760-A763 PolarHBondContact O-N 3.32Å; R761-A763 VanDerWaalsContact C-N 3.29Å; R761-A763 PolarHBondContact O-N 3.29Å; A763-R766 PolarHBondContact O-N 3.04Å; A763-L767 WeakPolarHBondContact O-CB 3.21Å; A763-L767 PolarHBondContact O-N 3.23Å |
| 764 | R | 68.6 | Low | 68.6 | Low | 187 Ų | 187 | 132.7 Ų | 132.7 | 71% | 0.706 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.3 | -41 | 174.8 | -78.3 | -177.4 | 176 | 175.8 | -1.6 | 112.8 | M760 R761 L767 S768 | M760-R764 PolarHBondContact O-N 3.43Å; R761-R764 PolarHBondContact O-N 3.27Å; R764-L767 PolarHBondContact O-N 3.21Å; R764-S768 WeakPolarHBondContact O-CB 3.29Å; R764-S768 PolarHBondContact O-N 3.13Å |
| 765 | E | 68.2 | Low | 67.9 | Low | 98 Ų | 98 | 131.9 Ų | 131.9 | 46% | 0.458 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.1 | -40.5 | 176.5 | -76.1 | 166.7 | -172.7 | 0 | 0 | 112.1 | R761 L767 S768 N769 | R761-E765 IonicContact NE-OE1 3.1Å; R761-E765 PolarHBondContact O-N 2.55Å; E765-L767 VanDerWaalsContact C-N 3.33Å; E765-L767 PolarHBondContact O-N 3.22Å; E765-S768 PolarHBondContact O-N 2.65Å; E765-N769 WeakPolarHBondContact O-CB 3.3Å; E765-N769 PolarHBondContact O-N 3.29Å |
| 766 | R | 68.3 | Low | 67.3 | Low | 188 Ų | 188 | 129 Ų | 129 | 71% | 0.709 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66 | -34.7 | 175.2 | -74.3 | 174.4 | -178.3 | -174 | -1.8 | 112.9 | R762 A763 R770 | R762-R766 WeakPolarHBondContact O-CB 3.47Å; R762-R766 VanDerWaalsContact O-CG 3.24Å; R762-R766 WeakPolarHBondContact O-CG 3.32Å; R762-R766 PolarHBondContact O-N 2.91Å; R762-R766 VanDerWaalsContact O-N 3.11Å; A763-R766 PolarHBondContact O-N 3.04Å; R766-R770 PolarHBondContact O-N 2.83Å |
| 767 | L | 68.8 | Low | 66.8 | Low | 111 Ų | 111 | 127.7 Ų | 127.7 | 58% | 0.581 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -71.7 | -44.1 | 175.5 | -169.1 | 69.5 | 0 | 0 | 0 | 111.2 | A763 R764 E765 R770 I771 | A763-L767 WeakPolarHBondContact O-CB 3.21Å; A763-L767 PolarHBondContact O-N 3.23Å; R764-L767 PolarHBondContact O-N 3.21Å; E765-L767 VanDerWaalsContact C-N 3.33Å; E765-L767 PolarHBondContact O-N 3.22Å; L767-R770 PolarHBondContact O-N 2.56Å; L767-I771 HydrophobicContact CG-CD1 4.18Å; L767-I771 WeakPolarHBondContact O-CG1 3.22Å; L767-I771 PolarHBondContact O-N 2.79Å |
| 768 | S | 68.3 | Low | 66.2 | Low | 59 Ų | 59 | 127 Ų | 127 | 41% | 0.413 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -58.7 | -47.8 | 174.8 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | R764 E765 R770 I771 H772 | R764-S768 WeakPolarHBondContact O-CB 3.29Å; R764-S768 PolarHBondContact O-N 3.13Å; E765-S768 PolarHBondContact O-N 2.65Å; S768-R770 VanDerWaalsContact C-N 3.31Å; S768-R770 PolarHBondContact O-N 2.77Å; S768-I771 PolarHBondContact O-N 2.8Å; S768-I771 VanDerWaalsContact O-N 3.16Å; S768-H772 PolarHBondContact O-N 2.86Å |
| 769 | N | 66.6 | Low | 65.6 | Low | 103 Ų | 103 | 121.5 Ų | 121.5 | 55% | 0.551 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.8 | -33.6 | 179.1 | -73.1 | -4.7 | 0 | 0 | 0 | 112.5 | E765 L773 | E765-N769 WeakPolarHBondContact O-CB 3.3Å; E765-N769 PolarHBondContact O-N 3.29Å; N769-L773 WeakPolarHBondContact O-CB 3.36Å; N769-L773 PolarHBondContact O-N 2.79Å |
| 770 | R | 66.1 | Low | 65 | Low | 189 Ų | 189 | 120.5 Ų | 120.5 | 71% | 0.713 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69 | -38.4 | 173.5 | -91 | -176.8 | 173.6 | -178.9 | -2.6 | 112.7 | R766 L767 S768 N774 | R766-R770 PolarHBondContact O-N 2.83Å; L767-R770 PolarHBondContact O-N 2.56Å; S768-R770 VanDerWaalsContact C-N 3.31Å; S768-R770 PolarHBondContact O-N 2.77Å; R770-N774 WeakPolarHBondContact O-CB 3.19Å; R770-N774 PolarHBondContact O-N 2.86Å; R770-N774 VanDerWaalsContact O-N 3.09Å |
| 771 | I | 68.2 | Low | 64.5 | Low | 108 Ų | 108 | 121.7 Ų | 121.7 | 55% | 0.554 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.6 | -43.2 | 176.5 | -66.8 | 166.1 | 0 | 0 | 0 | 109.9 | L767 S768 N774 A775 | L767-I771 HydrophobicContact CG-CD1 4.18Å; L767-I771 WeakPolarHBondContact O-CG1 3.22Å; L767-I771 PolarHBondContact O-N 2.79Å; S768-I771 PolarHBondContact O-N 2.8Å; S768-I771 VanDerWaalsContact O-N 3.16Å; I771-N774 PolarHBondContact O-N 2.83Å; I771-A775 WeakPolarHBondContact O-CB 3.44Å; I771-A775 PolarHBondContact O-N 2.86Å |
| 772 | H | 63.7 | Low | 63.7 | Low | 122 Ų | 122 | 117.2 Ų | 117.2 | 57% | 0.565 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.6 | -40.4 | 177.4 | -110.1 | -67.2 | 0 | 0 | 0 | 113.4 | S768 A775 N776 | S768-H772 PolarHBondContact O-N 2.86Å; H772-A775 PolarHBondContact O-N 2.82Å; H772-N776 WeakPolarHBondContact O-CB 3.16Å; H772-N776 PolarHBondContact O-N 2.87Å |
| 773 | L | 65.3 | Low | 62.8 | Low | 111 Ų | 111 | 120.4 Ų | 120.4 | 58% | 0.581 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.9 | -37.4 | 176.8 | -111.7 | 130.5 | 0 | 0 | 0 | 112.6 | N769 R777 | N769-L773 WeakPolarHBondContact O-CB 3.36Å; N769-L773 PolarHBondContact O-N 2.79Å; L773-R777 PolarHBondContact O-N 2.96Å; L773-R777 VanDerWaalsContact O-N 3.08Å |
| 774 | N | 63.8 | Low | 62 | Low | 97 Ų | 97 | 121.6 Ų | 121.6 | 52% | 0.519 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -73.3 | -36.5 | 177.1 | -73.8 | -10.3 | 0 | 0 | 0 | 112 | R770 I771 R777 L778 | R770-N774 WeakPolarHBondContact O-CB 3.19Å; R770-N774 PolarHBondContact O-N 2.86Å; R770-N774 VanDerWaalsContact O-N 3.09Å; I771-N774 PolarHBondContact O-N 2.83Å; N774-R777 PolarHBondContact O-N 3.22Å; N774-L778 PolarHBondContact O-N 2.81Å |
| 775 | A | 61.8 | Low | 60.8 | Low | 49 Ų | 49 | 122.6 Ų | 122.6 | 41% | 0.405 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.6 | -40.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I771 H772 L778 A779 | I771-A775 WeakPolarHBondContact O-CB 3.44Å; I771-A775 PolarHBondContact O-N 2.86Å; H772-A775 PolarHBondContact O-N 2.82Å; A775-L778 PolarHBondContact O-N 3.11Å; A775-A779 WeakPolarHBondContact O-CB 3.34Å; A775-A779 PolarHBondContact O-N 2.64Å |
| 776 | N | 61.6 | Low | 60.4 | Low | 99 Ų | 99 | 123.8 Ų | 123.8 | 53% | 0.529 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -69.4 | -37.9 | 176.7 | -72.9 | -0.7 | 0 | 0 | 0 | 112.4 | H772 L778 A779 E780 | H772-N776 WeakPolarHBondContact O-CB 3.16Å; H772-N776 PolarHBondContact O-N 2.87Å; N776-L778 PolarHBondContact O-N 2.82Å; N776-A779 PolarHBondContact O-N 2.94Å; N776-E780 PolarHBondContact O-N 3.5Å |
| 777 | R | 60.5 | Low | 60 | Low | 169 Ų | 169 | 120.4 Ų | 120.4 | 64% | 0.638 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.8 | -34.8 | 174.2 | -89.3 | -176.7 | 171.1 | -178.6 | -3.6 | 113.4 | L773 N774 H781 | L773-R777 PolarHBondContact O-N 2.96Å; L773-R777 VanDerWaalsContact O-N 3.08Å; N774-R777 PolarHBondContact O-N 3.22Å; R777-H781 PolarHBondContact O-CD2 3.17Å; R777-H781 PolarHBondContact O-N 3.38Å |
| 778 | L | 56.2 | Low | 59.5 | Low | 130 Ų | 130 | 120.9 Ų | 120.9 | 68% | 0.681 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -73.2 | -32.7 | 175.5 | -82.9 | 158.1 | 0 | 0 | 0 | 112.3 | N774 A775 N776 S782 | N774-L778 PolarHBondContact O-N 2.81Å; A775-L778 PolarHBondContact O-N 3.11Å; N776-L778 PolarHBondContact O-N 2.82Å; L778-S782 PolarHBondContact O-N 2.79Å; L778-S782 PolarHBondContact O-OG 2.92Å |
| 779 | A | 57.5 | Low | 59 | Low | 51 Ų | 51 | 124.6 Ų | 124.6 | 42% | 0.421 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -76 | -26.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | A775 N776 S782 | A775-A779 WeakPolarHBondContact O-CB 3.34Å; A775-A779 PolarHBondContact O-N 2.64Å; N776-A779 PolarHBondContact O-N 2.94Å; A779-S782 PolarHBondContact O-OG 3.1Å |
| 780 | E | 57.6 | Low | 58.5 | Low | 147 Ų | 147 | 125.9 Ų | 125.9 | 69% | 0.687 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -76.8 | -33.3 | 172.1 | -76 | -179.4 | 168.4 | 0 | 0 | 112.1 | N776 S782 R783 | N776-E780 PolarHBondContact O-N 3.5Å; E780-S782 VanDerWaalsContact C-N 3.33Å; E780-S782 PolarHBondContact O-N 3.33Å; E780-R783 PolarHBondContact O-N 3.46Å |
| 781 | H | 56.8 | Low | 58 | Low | 140 Ų | 140 | 121.7 Ų | 121.7 | 65% | 0.648 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.2 | -28.1 | 175.2 | -96.3 | -82.1 | 0 | 0 | 0 | 113.6 | R777 R783 | R777-H781 PolarHBondContact O-CD2 3.17Å; R777-H781 PolarHBondContact O-N 3.38Å; H781-R783 VanDerWaalsContact C-N 3.35Å |
| 782 | S | 53.3 | Low | 57.3 | Low | 82 Ų | 82 | 122.7 Ų | 122.7 | 57% | 0.573 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | 3.5 | 178 | 61.7 | 0 | 0 | 0 | 0 | 114.9 | L778 A779 E780 | L778-S782 PolarHBondContact O-N 2.79Å; L778-S782 PolarHBondContact O-OG 2.92Å; A779-S782 PolarHBondContact O-OG 3.1Å; E780-S782 VanDerWaalsContact C-N 3.33Å; E780-S782 PolarHBondContact O-N 3.33Å |
| 783 | R | 50.5 | Low | 56.8 | Low | 230 Ų | 230 | 122.8 Ų | 122.8 | 87% | 0.868 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | -4.7 | 167.4 | -79.8 | -175 | 174.8 | -179 | -0.9 | 113.4 | E780 H781 | E780-R783 PolarHBondContact O-N 3.46Å; H781-R783 VanDerWaalsContact C-N 3.35Å |
| 784 | A | 50 | Low | 56.1 | Low | 84 Ų | 84 | 123.8 Ų | 123.8 | 69% | 0.694 | 65% | 0.646 | S | S | * | * | trans | -106.4 | 1.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 785 | L | 43 | Very low | 55.4 | Low | 207 Ų | 207 | 126.2 Ų | 126.2 | 100% | 1.084 | 66% | 0.657 | S | S | * | * | trans | -136.6 | 0 | 170.7 | -79.5 | 160.6 | 0 | 0 | 0 | 107.2 |
Retrieved 785 of 785 residues in 739.8 ms
(Link to these results)